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Sample records for nanocomposite model incorporates

  1. Novel transparent ternary nanocomposite films of trialkoxysilane-capped poly(methyl methacrylate)/zirconia/titania with incorporating networks

    Wang Yuan; Zhang Dengsong; Shi Liyi; Li Li; Zhang Jianping

    2008-01-01

    Novel ternary nanocomposite trialkoxysilane-capped poly(methyl methacrylate)/zirconia/titania optical films were successfully prepared through a nonaqueous in situ sol-gel method. The acrylic monomers used were methyl methacrylate (MMA) and 3-(trimethoxysilyl)propyl methacrylate (MSMA). PMMA/ZrO 2 -TiO 2 incorporating networks formed from alcoholysis of poly(MMA-co-MSMA), zirconium n-butoxide and titanium isoproproxide. The structure, morphology and property of the obtained nanocomposite films were investigated by X-ray photoelectron spectra, Fourier transform infrared spectroscopy, field emission scanning electron microscopy, scanning probe microscopy, thermogravimetric analyses, UV-vis spectrum and spectro-ellipsometer. The nanoparticle size, roughness, thermal stability, UV-shielding property, and refractive index of nanocomposite films increase with the increasing of inorganic contents. The formation mechanism and reason of such improvements were examined and interpreted in a theoretical model. The nanocomposite films possess interesting properties in thermal stability and optical response due to the uniform incorporating networks between organic polymer chains and inorganic clusters

  2. Novel transparent ternary nanocomposite films of trialkoxysilane-capped poly(methyl methacrylate)/zirconia/titania with incorporating networks

    Wang Yuan [Research Center of Nano Science and Technology, Department of Chemistry, Shanghai University, Shanghai 200444 (China); Zhang Dengsong [Research Center of Nano Science and Technology, Department of Chemistry, Shanghai University, Shanghai 200444 (China)], E-mail: dszhang@shu.edu.cn; Shi Liyi [Research Center of Nano Science and Technology, Department of Chemistry, Shanghai University, Shanghai 200444 (China)], E-mail: sly0726@163.com; Li Li; Zhang Jianping [Research Center of Nano Science and Technology, Department of Chemistry, Shanghai University, Shanghai 200444 (China)

    2008-08-15

    Novel ternary nanocomposite trialkoxysilane-capped poly(methyl methacrylate)/zirconia/titania optical films were successfully prepared through a nonaqueous in situ sol-gel method. The acrylic monomers used were methyl methacrylate (MMA) and 3-(trimethoxysilyl)propyl methacrylate (MSMA). PMMA/ZrO{sub 2}-TiO{sub 2} incorporating networks formed from alcoholysis of poly(MMA-co-MSMA), zirconium n-butoxide and titanium isoproproxide. The structure, morphology and property of the obtained nanocomposite films were investigated by X-ray photoelectron spectra, Fourier transform infrared spectroscopy, field emission scanning electron microscopy, scanning probe microscopy, thermogravimetric analyses, UV-vis spectrum and spectro-ellipsometer. The nanoparticle size, roughness, thermal stability, UV-shielding property, and refractive index of nanocomposite films increase with the increasing of inorganic contents. The formation mechanism and reason of such improvements were examined and interpreted in a theoretical model. The nanocomposite films possess interesting properties in thermal stability and optical response due to the uniform incorporating networks between organic polymer chains and inorganic clusters.

  3. Luminescence enhancement of ZnO-poly(methylmethacrylate) nanocomposite films by incorporation of crystalline BaTiO_3 nanoparticles

    Kanamori, Tsuyoshi; Han, Yu; Nagao, Daisuke; Kamezawa, Nao; Ishii, Haruyuki; Konno, Mikio

    2016-01-01

    Highlights: • Dielectric barium titanate (BT) nanoparticles incorporated into luminescence films. • Luminescence intensities increased by the BT nanoparticle incorporation. • Incorporation of highly dielectric nanoparticles effective for luminescence enhancement. - Abstract: Incorporation of highly dielectric nanoparticles into luminescent ZnO-polymethylmethacrylate (PMMA) nanocomposite films was undertaken to examine the effect of nanoparticle incorporation on luminescence intensity of the nanocomposite films. ZnO nanoparticles were prepared as inorganic phosphors by a precipitation method. The ZnO nanoparticles were then surface-modified with 3-methacryloxypropyltrimethoxysilane (MPTMS) to be used for fabrication of the ZnO-PMMA nanocomposite film. Barium titanate (BT) nanoparticles were synthesized with a sol-gel method as the highly dielectric nanoparticles, which were also surface-modified with the MPTMS for the incorporation into the nanocomposite films. Luminescence intensity of the nanocomposite films was successfully increased by the nanoparticle incorporation up to a BT content around 15 vol%. The luminescence intensity higher than that measured for the nanocomposite films incorporating SiO_2 nanoparticles indicated that the incorporation of highly dielectric nanoparticles was an effective approach to enhance the luminescence of ZnO nanoparticles in the polymer thin films.

  4. Systematic comparison of model polymer nanocomposite mechanics.

    Xiao, Senbo; Peter, Christine; Kremer, Kurt

    2016-09-13

    Polymer nanocomposites render a range of outstanding materials from natural products such as silk, sea shells and bones, to synthesized nanoclay or carbon nanotube reinforced polymer systems. In contrast to the fast expanding interest in this type of material, the fundamental mechanisms of their mixing, phase behavior and reinforcement, especially for higher nanoparticle content as relevant for bio-inorganic composites, are still not fully understood. Although polymer nanocomposites exhibit diverse morphologies, qualitatively their mechanical properties are believed to be governed by a few parameters, namely their internal polymer network topology, nanoparticle volume fraction, particle surface properties and so on. Relating material mechanics to such elementary parameters is the purpose of this work. By taking a coarse-grained molecular modeling approach, we study an range of different polymer nanocomposites. We vary polymer nanoparticle connectivity, surface geometry and volume fraction to systematically study rheological/mechanical properties. Our models cover different materials, and reproduce key characteristics of real nanocomposites, such as phase separation, mechanical reinforcement. The results shed light on establishing elementary structure, property and function relationship of polymer nanocomposites.

  5. A new nanocomposite polymer electrolyte based on poly(vinyl alcohol) incorporating hypergrafted nano-silica

    Hu, Xian-Lei

    2012-01-01

    Solid-state nanocomposite polymer electrolytes based on poly(vinyl alcohol)(PVA) incorporating hyperbranched poly(amine-ester) (HBPAE) grafted nano-silica (denoted as SiO2-g-HBPAE) have been prepared and investigated. Through surface pretreatment of nanoparticles, followed by Michael-addition and a self-condensation process, hyperbranched poly(amine-ester) was directly polymerized from the surface of nano-silica. Then the hypergrafted nanoparticles were added to PVA matrix, and blended with lithium perchlorate via mold casting method to fabricate nanocomposite polymer electrolytes. By introducing hypergrafted nanoparticles, ionic conductivity of solid composite is improved significantly at the testing temperature. Hypergrafted nano-silica may act as solid plasticizer, promoting lithium salt dissociation in the matrix as well as improving segmental motion of matrix. In addition, tensile testing shows that such materials are soft and tough even at room temperature. From the dielectric spectra of nanocomposite polymer electrolyte as the function of temperature, it can be deduced that Arrhenius behavior appears depending on the content of hypergrafted nano-silica and concentration of lithium perchlorate. At a loading of 15 wt% hypergrafted nano-silica and 54 wt% lithium perchlorate, promising ionic conductivities of PVA nanocomposite polymer electrolyte are achieved, about 1.51 × 10 -4 S cm-1 at 25 °C and 1.36 × 10-3 S cm-1 at 100 °C. © The Royal Society of Chemistry.

  6. Chitosan-incorporated different nanocomposite HPMC films for food preservation

    Shanmuga Priya, D.; Suriyaprabha, R.; Yuvakkumar, R.; Rajendran, V.

    2014-02-01

    Chitosan nanoparticles were synthesized by cross-linking with sodium tripolyphosphate (TPP) using ionic gelation method and casted into hydroxypropyl methylcellulose (HPMC) films. XRD, FTIR, and UV-Vis spectra showed the corresponding phase, characteristic peaks of CS-TPP functional groups, and transmittance of the films, respectively. Oleic acid, TiO2, neem powder, and Ag of equal ratio were added as an additive to the optimized 1 wt% of chitosan-HPMC films and studied for its mechanical, solubility, thermal, structural, and antimicrobial property. The better physio-chemical and biological properties are achieved in the films incorporated with TiO2 and neem. The characterized films were directly tested for the preservation of grape and plums and for their decay index. Polyphenol oxidase and peroxidase activity of the preserved fruits showed that grape and plums remained unchanged, respectively, for 10 days and for 3 weeks. This study reveals that shelf life of the grape using TiO2- and neem-doped CS-HPMC films was extended up to 10 days with good sensory and textural qualities compared with other films.

  7. Effect of swelling behavior of organoclays in styrene on flammability of polystyrene nanocomposites obtained through in situ incorporation

    Timochenco, Licinia; Sayer, Claudia; Machado, Ricardo A.F.; Araujo, Pedro H.H.

    2009-01-01

    In this work the effect of the interaction between organoclays and styrene on the flammability of polystyrene/clay nanocomposites obtained through in-situ incorporation was investigated. The reactions were carried out in bulk polymerization. The interaction between organoclays and styrene was inferred by swelling of the organoclay in styrene. The nanocomposites were characterized by X-ray diffraction and Transmission Electron Microscopy. The heat release rate was obtained by Cone Calorimeter and the nanocomposites were tested through UL94 horizontal burn test. Thermogravimetric analysis were also performed. Results showed that intercalated and partially exfoliated nanocomposites were obtained depending on the swelling behavior of the organoclay in styrene. It was also observed an increase of the higher decomposition temperature and an accentuated decrease on the peak of heat release of the nanocomposites when comparing to the virgin polymer. No remarkable effect between the swelling behavior of the organoclay in styrene and the flammability properties was observed. (author)

  8. Preparation and characterization of polyhedral oligomer silsesquioxane nanocomposites incorporated in epoxy resin

    Longhi, Marielen; Zini, Lucas Pandolphi; Birriel, Eliena Jonko; Kunst, Sandra Raquel; Zattera, Ademir Jose

    2015-01-01

    The incorporation of nanofiller in thermosetting like epoxy resin as has been studied in order to modify its properties. In this research, nanocomposites were obtained by incorporating 5% by weight of three polyhedral oligomeric silsesquioxane (POSS) with different number of functionalization: Glicidilisobutil-POSS, Triglicidilisobutil- POSS and Glicicil POSS in an epoxy matrix by sonification process. The nanocomposites were characterized by analysis of X-ray diffraction (DRX), transmission electron microscopy (TEM) and thermogravimetric analysis (TGA). The DRX analysis showed the characteristic peak of POSS and TEM images showed that there is a difference in the dispersion of nanocages for the difference in the number of epoxy groups on the POSS. The incorporation of Glicidilisobutil-POSS showed a significant increase in the glass transition temperature (Tg) value, and also that the most effective from the viewpoint of the dispersion, on the other hand, the Glycidyl-POSS had a greater influence on the thermal stability demonstrating that the dispersion medium is an important characteristic to define the most desirable properties. (author)

  9. Nanocomposite scaffold fabrication by incorporating gold nanoparticles into biodegradable polymer matrix: Synthesis, characterization, and photothermal effect

    Abdelrasoul, Gaser N.; Farkas, Balazs; Romano, Ilaria; Diaspro, Alberto; Beke, Szabolcs, E-mail: szabolcs.beke@iit.it

    2015-11-01

    Nanoparticle incorporation into scaffold materials is a valuable route to deliver various therapeutic agents, such as drug molecules or large biomolecules, proteins (e.g. DNA or RNA) into their targets. In particular, gold nanoparticles (Au NPs) with their low inherent toxicity, tunable stability and high surface area provide unique attributes facilitating new delivery strategies. A biodegradable, photocurable polymer resin, polypropylene fumarate (PPF) along with Au NPs were utilized to synthesize a hybrid nanocomposite resin, directly exploitable in stereolithography (SL) processes. To increase the particles' colloidal stability, the Au NP nanofillers were coated with polyvinyl pyrrolidone (PVP). The resulting resin was used to fabricate a new type of composite scaffold via mask projection excimer laser stereolithography. The thermal properties of the nanocomposite scaffolds were found to be sensitive to the concentration of NPs. The mechanical properties were augmented by the NPs up to 0.16 μM, though further increase in the concentration led to a gradual decrease. Au NP incorporation rendered the biopolymer scaffolds photosensitive, i.e. the presence of Au NPs enhanced the optical absorption of the scaffolds as well, leading to possible localized temperature rise when irradiated with 532 nm laser, known as the photothermal effect. - Highlights: • Gold nanoparticle incorporation into biopolymer resin was realized. • Gold incorporation into biopolymer resin is a big step in tissue engineering. • Composite scaffolds were synthesized and thoroughly characterized. • Gold nanoparticles are remarkable candidates to be utilized as “transport vehicles”. • The photothermal effect was demonstrated using a 532-nm laser.

  10. Synthesis of zinc sulfide nanoparticles and their incorporation into poly(hydroxybutyrate) matrix in the formation of a novel nanocomposite

    Riaz, Shahina; Raza, Zulfiqar Ali; Majeed, Muhammad Irfan; Jan, Tariq

    2018-05-01

    In the present study, zinc sulfide (ZnS) nanoparticles (NPs) were successfully synthesized through a modified chemical precipitation protocol and then mediated into poly(hydroxybutyrate) (PHB) matrix to get ZnS/PHB nanocomposite. Mean diameter and zeta potential of ZnS NPs, as determined using dynamic light scattering technique (DLS), were observed to be 53 nm and ‑89 mV, respectively. The structural investigations performed using x-ray diffraction (XRD) technique depicted the phase purity of ZnS NPs exhibiting cubic crystal structure. Fourier transform infrared (FTIR) spectroscopic analysis was conducted to identify the presence or absence of bonding vibrational modes on the surface of synthesized single phase ZnS NPs. The FTIR analysis confirmed the metal to sulphur bond formation by showing the characteristic band at 1123 cm‑1. The UV–vis absorption spectra of ZnS NPs confirmed the synthesis of particles in nanoscale regime showing a λ max of 302 nm. These NPs were then successfully incorporated into PHB matrix to synthesize ZnS/PHB nanocomposite. The synthesis of nanocomposite was confirmed by EDX analysis. The chemical bonding and structural properties of ZnS/PHB nanocomposite were determined by FTIR and XRD analysis, respectively. The FTIR analysis confirmed the synthesis of ZnS/PHB nanocomposite. Moreover, XRD analysis showed that structure of nanocomposite was completely controlled by ZnS NPs as pure PHB exhibited orthorhombic crystal structure while the nanocomposite demonstrated cubic crystal structure of ZnS. Thermal properties of nanocomposite were studied through thermogravimetric analysis revealing that the incorporation of ZnS NPs into PHB matrix lead to enhance heat resistance properties of PHB.

  11. Effect of the incorporation of modified purified clay with different content surfactants in the thermal and mechanical PET nanocomposites

    Leite, Itamara F.; Soares, Anna P.S.; Silva, Suedina M.L.; Malta, Oscar M.L.

    2011-01-01

    An organically modified bentonite purified with different amounts of alkyl ammonium salts and alkyl phosphonium was used as filler in the preparation of nanocomposites of poly(ethylene terephthalate) (PET). PET/organophilic bentonite masterbatch were prepared in a Haake torque rheometer at 260° C, 60 rpm for 10min. Then, the master batch obtained were mixed with PET in quantities necessary to obtain the nominal content of 1 wt% of bentonite, a twin screw extruder counter-rotating to 275°C in all heating zones and 60 rpm. Subsequently, the mixtures were injected (Arburg All Rounder), in the form of tensile specimens (ASTM D638). The effect of incorporating this type of filler on thermal and mechanical properties of nanocomposites of PET will be investigated. The incorporation of different types of organoclay to PET resulted in intercalated nanocomposites and partially exfoliated. The intercalated morphology showed higher thermal stability. (author)

  12. Largely enhanced thermal and mechanical properties of polymer nanocomposites via incorporating C60@graphene nanocarbon hybrid

    Song, Ping’an; Liu, Lina; Yu, Youming; Huang, Guobo; Guo, Qipeng

    2013-01-01

    Although considerable progress has been achieved to create advanced polymer nanocomposites using nanocarbons including fullerene (C 60 ) and graphene, it remains a major challenge to effectively disperse them in a polymer matrix and to fully exert their extraordinary properties. Here we report a novel approach to fabricate the C 60 @graphene nanocarbon hybrid (C 60 : ∼47.9 wt%, graphene: ∼35.1%) via three-step reactions. The presence of C 60 on a graphene sheet surface can effectively prevent the aggregation of the latter which in turn helps the dispersion of the former in a polymer matrix during melt-processing. C 60 @graphene is found to be uniformly dispersed in a polypropylene (PP) matrix. Compared with pristine C 60 or graphene, C 60 @graphene further improves the thermal stability and mechanical properties of PP. The incorporation of 2.0 wt% C 60 @graphene (relative to PP) can remarkably increase the initial degradation temperature by around 59 ° C and simultaneously enhance the tensile strength and Young’s modulus by 67% and 76%, respectively, all of which are higher than those of corresponding PP/C 60 (graphene) nanocomposites. These significant performance improvements are mainly due to the free-radical-trapping effect of C 60 , and the thermal barrier and reinforcing effects of graphene nanosheets as well as the effective stress load transfer. This work provides a new methodology to design multifunctional nanohybrids for creating advanced materials. (paper)

  13. Incorporation of layered double nanomaterials in thin film nanocomposite nanofiltration membrane for magnesium sulphate removal

    Tajuddin Muhammad Hanis

    2018-01-01

    Full Text Available Thin film nanocomposite (TFN membrane with copper-aluminium layered double hydroxides (LDH incorporated into polyamide (PA selective layer has been prepared for magnesium sulphate salt removal. 0, 0.05, 0.1, 0.15, 0.2 wt% of LDH were dispersed in the trimesoyl chloride (TMC in n-hexane as organic solution and embedded into PA layer during interfacial polymerization with piperazine. The fabricated membranes were further characterized to evaluate its morphological structure and membrane surface hydrophilicity. The TFN membranes performance were evaluated with divalent salt magnesium sulphate (MgSO4 removal and compared with thin film composite (TFC. The morphological structures of TFN membranes were altered and the surface hydrophilicity were enhanced with addition of LDH. Incorporation of LDH has improved the permeate water flux by 82.5% compared to that of TFC membrane with satisfactory rejection of MgSO4. This study has experimentally validated the potential of LDH to improve the divalent salt separation performance for TFN membranes.

  14. Incorporation of layered double nanomaterials in thin film nanocomposite nanofiltration membrane for magnesium sulphate removal

    Hanis Tajuddin, Muhammad; Yusof, Norhaniza; Salleh, Wan Norharyati Wan; Fauzi Ismail, Ahmad; Hanis Hayati Hairom, Nur; Misdan, Nurasyikin

    2018-03-01

    Thin film nanocomposite (TFN) membrane with copper-aluminium layered double hydroxides (LDH) incorporated into polyamide (PA) selective layer has been prepared for magnesium sulphate salt removal. 0, 0.05, 0.1, 0.15, 0.2 wt% of LDH were dispersed in the trimesoyl chloride (TMC) in n-hexane as organic solution and embedded into PA layer during interfacial polymerization with piperazine. The fabricated membranes were further characterized to evaluate its morphological structure and membrane surface hydrophilicity. The TFN membranes performance were evaluated with divalent salt magnesium sulphate (MgSO4) removal and compared with thin film composite (TFC). The morphological structures of TFN membranes were altered and the surface hydrophilicity were enhanced with addition of LDH. Incorporation of LDH has improved the permeate water flux by 82.5% compared to that of TFC membrane with satisfactory rejection of MgSO4. This study has experimentally validated the potential of LDH to improve the divalent salt separation performance for TFN membranes.

  15. Luminescence enhancement of ZnO-poly(methylmethacrylate) nanocomposite films by incorporation of crystalline BaTiO{sub 3} nanoparticles

    Kanamori, Tsuyoshi; Han, Yu; Nagao, Daisuke, E-mail: dnagao@tohoku.ac.jp; Kamezawa, Nao; Ishii, Haruyuki; Konno, Mikio

    2016-09-15

    Highlights: • Dielectric barium titanate (BT) nanoparticles incorporated into luminescence films. • Luminescence intensities increased by the BT nanoparticle incorporation. • Incorporation of highly dielectric nanoparticles effective for luminescence enhancement. - Abstract: Incorporation of highly dielectric nanoparticles into luminescent ZnO-polymethylmethacrylate (PMMA) nanocomposite films was undertaken to examine the effect of nanoparticle incorporation on luminescence intensity of the nanocomposite films. ZnO nanoparticles were prepared as inorganic phosphors by a precipitation method. The ZnO nanoparticles were then surface-modified with 3-methacryloxypropyltrimethoxysilane (MPTMS) to be used for fabrication of the ZnO-PMMA nanocomposite film. Barium titanate (BT) nanoparticles were synthesized with a sol-gel method as the highly dielectric nanoparticles, which were also surface-modified with the MPTMS for the incorporation into the nanocomposite films. Luminescence intensity of the nanocomposite films was successfully increased by the nanoparticle incorporation up to a BT content around 15 vol%. The luminescence intensity higher than that measured for the nanocomposite films incorporating SiO{sub 2} nanoparticles indicated that the incorporation of highly dielectric nanoparticles was an effective approach to enhance the luminescence of ZnO nanoparticles in the polymer thin films.

  16. Antibiofilm properties of silver and gold incorporated PU, PCLm, PC and PMMA nanocomposites under two shear conditions.

    Shilpa N Sawant

    Full Text Available Silver and gold nanoparticles (of average size ∼20-27 nm were incorporated in PU (Polyurethane, PCLm (Polycaprolactam, PC (polycarbonate and PMMA (Polymethylmethaacrylate by swelling and casting methods under ambient conditions. In the latter method the nanoparticle would be present not only on the surface, but also inside the polymer. These nanoparticles were prepared initially by using a cosolvent, THF. PU and PCLm were dissolved and swollen with THF. PC and PMMA were dissolved in CHCl₃ and here the cosolvent, THF, acted as an intermediate between water and CHCl₃. FTIR indicated that the interaction between the polymer and the nanoparticle was through the functional group in the polymer. The formation of E.coli biofilm on these nanocomposites under low (in a Drip flow biofilm reactor and high shear (in a Shaker conditions indicated that the biofilm growth was higher (twice in the former than in the latter (ratio of shear force = 15. A positive correlation between the contact angle (of the virgin surface and the number of colonies, carbohydrate and protein attached on it were observed. Ag nanocomposites exhibited better antibiofilm properties than Au. Bacterial attachment was highest on PC and least on PU nanocomposite. Casting method appeared to be better than swelling method in reducing the attachment (by a factor of 2. Composites reduced growth of organisms by six orders of magnitude, and protein and carbohydrate by 2-5 times. This study indicates that these nanocomposites may be suitable for implant applications.

  17. A new nanocomposite polymer electrolyte based on poly(vinyl alcohol) incorporating hypergrafted nano-silica

    Hu, Xian-Lei; Hou, Gao-Ming; Zhang, Ming-Qiu; Rong, Min-Zhi; Ruan, Wen-Hong; Giannelis, Emmanuel P.

    2012-01-01

    perchlorate via mold casting method to fabricate nanocomposite polymer electrolytes. By introducing hypergrafted nanoparticles, ionic conductivity of solid composite is improved significantly at the testing temperature. Hypergrafted nano-silica may act

  18. Rigid Polyurethane Nanocomposites Prepared by Direct Incorporation: Effects of Nanoclay, Carbon Nanotubes and Mixing Speed on Physical and Morphological Properties

    Ramadhoni, Benni; Ujianto, Onny; Nadapdap, Maxwell

    2018-03-01

    Rigid polyurethane (PU) nanocomposites were fabricated via solution mixing of PU, nanoclay and multiwalled carbon nanotubes (MWCNT) according to full factorial DoE. The nanoclay and MWCNT concentration as well as mixing speed were varied. The effects of controlled variables on reduced compressive strength, fire retardancy, hardness and morphological properties were analized. In general, the results showed that incorporation of nanofillers into PU matrix successfully elevated nanocomposites performance. The properties changed from -12% to 45% for reduced compressive strength, 9% to 30% for reduced fire retardancy and -32% to 101% for reduced hardness. The results suggested that the improvements were affected by nanoclay dispersion that acted as nucleating agent which resulted in smaller close cells of PU structures.

  19. Incorporation of Znq2 complexes into mesoporous silica and their transparent polymer luminescent nanocomposites

    Du Yaying; Fu Yuqin; Shi Yongli; Lue Xiaodan; Lue Changli; Su Zhongmin

    2009-01-01

    Znq 2 -functionalized colloidal mesoporous silicas (Znq 2 -CMS)/polymer transparent nanocomposites were prepared by in situ bulk polymerization. CMS nanoparticles or nanorods with hydroxyl-, mercapto- and sulfonic-functionalized interiors were obtained by different synthetic routes in the nanosize dimensions between 50 and 500 nm. The luminescent Znq 2 complex was successfully introduced in the pores of different mesoporous silicas by chemical adsorption as the driving force. The different internal circumstances of mesoporous silicas had an obvious effect on the luminescence and lifetime of Znq 2 complex. The transparent fluorescent nanocomposites were fabricated from different Znq 2 -CMS and suitable monomers. The Znq 2 -CMS were uniformly dispersed in the polymer matrix without evident aggregation. The photoluminescence properties of Znq 2 -CMS in the transparent matrix exhibited a dependence on the inner surrounding of CMS due to the interaction between Znq 2 -CMS and polymers. The maximum emission peak of the nanocomposites had a red-shift of 28 nm as compared to pure Znq 2 -CMS. - Graphical abstract: Znq 2 -functionalized colloidal mesoporous silicas (Znq 2 -CMS)/polymer transparent fluorescent nanocomposites were prepared by in situ bulk polymerization. The figure shows the synthetic scheme for the Znq 2 -CMS and their transparent bulk nanocomposites.

  20. Biocompatible nanocomposite of TiO2 incorporated bi-polymer for articular cartilage tissue regeneration: A facile material.

    Cao, Lei; Wu, Xiaofeng; Wang, Qiugen; Wang, Jiandong

    2018-01-01

    The development and design of polymeric hydrogels for articular cartilage tissue engineering have been a vital biomedical research for recent days. Organic/inorganic combined hydrogels with improved surface activity have shown potential for the repair and regeneration of hard tissues, but have not been broadly studied for articular cartilage tissue engineering applications. In this work, bi-polymeric hydrogel composite was designed with the incorporation some quantities of stick-like TiO 2 nanostructures for favorable surface behavior and enhancement of osteoblast adhesions. The microscopic investigations clearly exhibited that the stick-like TiO 2 nanostructured materials are highly inserted into the PVA/PVP bi-polymeric matrix, due to the long-chain PVA molecules are promoted to physical crosslinking density in hydrogel network. The results of improved surface topography of hydrogel matrixes show that more flatted cell morphologies and enhanced osteoblast attachment on the synthesized nanocomposites. The crystalline bone and stick-like TiO 2 nanocomposites significantly improved the bioactivity via lamellipodia and filopodia extension of osteoblast cells, due to its excellent intercellular connection and regulated cell responses. Consequently, these hydrogel has been enhanced the antibacterial activity against Staphylococcus aureus and Escherichia coli bacterial pathogens. Hence it is concluded that these hydrogel nanocomposite with improved morphology, osteoblast behavior and bactericidal activity have highly potential candidates for articular cartilage tissue regeneration applications. Copyright © 2017 Elsevier B.V. All rights reserved.

  1. Fabrication of Calcium Phosphate-Based Nanocomposites Incorporating DNA Origami, Gold Nanorods, and Anticancer Drugs for Biomedical Applications.

    Zhang, Hongbo; Qu, Xiangmeng; Chen, Hong; Kong, Haixin; Ding, Ruihua; Chen, Dong; Zhang, Xu; Pei, Hao; Santos, Hélder A; Hai, Mingtan; Weitz, David A

    2017-10-01

    DNA origami is designed by folding DNA strands at the nanoscale with arbitrary control. Due to its inherent biological nature, DNA origami is used in drug delivery for enhancement of synergism and multidrug resistance inhibition, cancer diagnosis, and many other biomedical applications, where it shows great potential. However, the inherent instability and low payload capacity of DNA origami restrict its biomedical applications. Here, this paper reports the fabrication of an advanced biocompatible nano-in-nanocomposite, which protects DNA origami from degradation and facilities drug loading. The DNA origami, gold nanorods, and molecular targeted drugs are co-incorporated into pH responsive calcium phosphate [Ca 3 (PO 4 ) 2 ] nanoparticles. Subsequently, a thin layer of phospholipid is coated onto the Ca 3 (PO 4 ) 2 nanoparticle to offer better biocompatibility. The fabricated nanocomposite shows high drug loading capacity, good biocompatibility, and a photothermal and pH-responsive payload release profile and it fully protects DNA origami from degradation. The codelivery of DNA origami with cancer drugs synergistically induces cancer cell apoptosis, reduces the multidrug resistance, and enhances the targeted killing efficiency toward human epidermal growth factor receptor 2 positive cells. This nanocomposite is foreseen to open new horizons for a variety of clinical and biomedical applications. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Incorporating groundwater flow into the WEPP model

    William Elliot; Erin Brooks; Tim Link; Sue Miller

    2010-01-01

    The water erosion prediction project (WEPP) model is a physically-based hydrology and erosion model. In recent years, the hydrology prediction within the model has been improved for forest watershed modeling by incorporating shallow lateral flow into watershed runoff prediction. This has greatly improved WEPP's hydrologic performance on small watersheds with...

  3. Atomistic modeling of thermomechanical properties of SWNT/Epoxy nanocomposites

    Fasanella, Nicholas; Sundararaghavan, Veera

    2015-09-01

    Molecular dynamics simulations are performed to compute thermomechanical properties of cured epoxy resins reinforced with pristine and covalently functionalized carbon nanotubes. A DGEBA-DDS epoxy network was built using the ‘dendrimer’ growth approach where 75% of available epoxy sites were cross-linked. The epoxy model is verified through comparisons to experiments, and simulations are performed on nanotube reinforced cross-linked epoxy matrix using the CVFF force field in LAMMPS. Full stiffness matrices and linear coefficient of thermal expansion vectors are obtained for the nanocomposite. Large increases in stiffness and large decreases in thermal expansion were seen along the direction of the nanotube for both nanocomposite systems when compared to neat epoxy. The direction transverse to nanotube saw a 40% increase in stiffness due to covalent functionalization over neat epoxy at 1 K whereas the pristine nanotube system only saw a 7% increase due to van der Waals effects. The functionalized SWNT/epoxy nanocomposite showed an additional 42% decrease in thermal expansion along the nanotube direction when compared to the pristine SWNT/epoxy nanocomposite. The stiffness matrices are rotated over every possible orientation to simulate the effects of an isotropic system of randomly oriented nanotubes in the epoxy. The randomly oriented covalently functionalized SWNT/Epoxy nanocomposites showed substantial improvements over the plain epoxy in terms of higher stiffness (200% increase) and lower thermal expansion (32% reduction). Through MD simulations, we develop means to build simulation cells, perform annealing to reach correct densities, compute thermomechanical properties and compare with experiments.

  4. Effect of Silicon Nitride Incorporation on Microstructure and Hardness of Ni-Co Metal Matrix Nanocomposite

    Ridwan

    2015-01-01

    Full Text Available Ni-Co-Si3N4 nanocomposite coatings were prepared by electrodeposition technique. The deposition was performed at 50 mA cm-2 on copper substrate. The working temperature of electrodepostion was constant at 500C in an acidic environment of pH 4. The effects of silicon in the nickel-cobalt metal matrix composite were investigated. Energy dispersive X-ray spectroscopy was used to determine the composition. The Co content in the coatings is in the range 27-49 at.%. The phase present in the Ni-Co-Si3N4 were examined with an X-ray diffraction analysis. All the reflection patterns indicate that the coatings are having face-centered cubic (fcc structure. The microhardness of the Ni-Co-Si3N4 nanocomposite coating increases with increasing silicon content. The microhardness of the Ni-Co-Si3N4 nanocomposite coating increased from 549 HV for Nickel-cobalt alloy coating to 641 HV for Ni-Co-Si3N4 nanocomposite coating with 5.47 at.% Si.

  5. Development of silica nanoparticles obtaintion process from renewable source waste and its incorporation in thermoplastic polymer for manufacturing a nanocomposite

    Ortiz, Angel Visentim

    2016-01-01

    The nanocomposite technology is applicable to a wide range of thermoplastic and thermoset polymers. The use of sugar cane byproducts has been extensively studied as a source of reinforcement for nanocomposites. The bagasse is widely used in cogeneration and as a result of the burning of this material, millions of tons of ash are produced. For this work, silica contained in the ashes of bagasse from sugarcane was extracted by chemical method and thermal method. The thermal method is more efficient leading to a purity of more than 93% of silica, while the chemical method generated silica contaminated with chlorine and sodium from the extraction reagents. The silica particles obtained were evaluated by dynamic light scattering (DSL) and presented an average size of 12 micrometers. These particles were submitted to grinding in a ball mill and then to a sonochemical treatment. Silica particles treated by the sonochemical process ( 20 kHz, 500 W and 90 minutes) had its dimensions reduced to nanometric scale of tenths of nanometers. The nanossílica obtained was then used as reinforcement in high density polyethylene (HDPE). Mechanical and thermo-mechanical properties were assessed and gains were shown for mechanical properties , except for the impact resistance. The distortion temperature (HDT) showed that the incorporation of the reinforcement in HDPE led to a small increase in this property compared to pure HDPE. The crystallinity of the nanocomposites generated was evaluated by differential scanning calorimetry (DSC) and it was observed a decrease of crystallinity in the material when the reinforcing incorporation was 3%. The material irradiated to 250 kGy with electron beam showed important property gains, mainly due to the high level of crosslinking of irradiated HDPE. (author)

  6. Modeling electrical conductivities of nanocomposites with aligned carbon nanotubes

    Bao, W S; Meguid, S A; Zhu, Z H; Meguid, M J

    2011-01-01

    We have developed an improved three-dimensional (3D) percolation model to investigate the effect of the alignment of carbon nanotubes (CNTs) on the electrical conductivity of nanocomposites. In this model, both intrinsic and contact resistances are considered, and a new method of resistor network recognition that employs periodically connective paths is developed. This method leads to a reduction in the size effect of the representative cuboid in our Monte Carlo simulations. With this new technique, we were able to effectively analyze the effects of the CNT alignment upon the electrical conductivity of nanocomposites. Our model predicted that the peak value of the conductivity occurs for partially aligned rather than perfectly aligned CNTs. It has also identified the value of the peak and the corresponding alignment for different volume fractions of CNTs. Our model works well for both multi-wall CNTs (MWCNTs) and single-wall CNTs (SWCNTs), and the numerical results show a quantitative agreement with existing experimental observations.

  7. Processing, Characterization, and Modeling of Polymer/Clay Nanocomposite Foams

    Jo, Choonghee; Naguib, Hani E.

    2007-04-01

    The effects of the material parameters and processing conditions on the foam morphologies, and mechanical properties of polymer/clay nanocomposite foams were studied. Microcellular closed-cell nanocomposite foams were manufactured with poly(methylmethacrylate) (PMMA) and high density polyethylene (HDPE), where the nanoclay loadings of 0.5, 1.0, and 2.0 wt% were used. The effect of clay contents and foaming conditions on the volume expansion ratio, cell size, elastic modulus, tensile strength, and elongation at break were investigated and compared between amorphous and semicrystalline polymers. An elastic modulus model for tensile behavior of foams was proposed by using the micromechanics theory. The model was expressed in terms of microstructural properties of polymer and physical properties of the foams. The tensile experimental data of the foams were compared with those predicted by the theoretical model.

  8. Atomistic modeling of thermomechanical properties of SWNT/Epoxy nanocomposites

    Fasanella, Nicholas; Sundararaghavan, Veera

    2015-01-01

    Molecular dynamics simulations are performed to compute thermomechanical properties of cured epoxy resins reinforced with pristine and covalently functionalized carbon nanotubes. A DGEBA-DDS epoxy network was built using the ‘dendrimer’ growth approach where 75% of available epoxy sites were cross-linked. The epoxy model is verified through comparisons to experiments, and simulations are performed on nanotube reinforced cross-linked epoxy matrix using the CVFF force field in LAMMPS. Full stiffness matrices and linear coefficient of thermal expansion vectors are obtained for the nanocomposite. Large increases in stiffness and large decreases in thermal expansion were seen along the direction of the nanotube for both nanocomposite systems when compared to neat epoxy. The direction transverse to nanotube saw a 40% increase in stiffness due to covalent functionalization over neat epoxy at 1 K whereas the pristine nanotube system only saw a 7% increase due to van der Waals effects. The functionalized SWNT/epoxy nanocomposite showed an additional 42% decrease in thermal expansion along the nanotube direction when compared to the pristine SWNT/epoxy nanocomposite. The stiffness matrices are rotated over every possible orientation to simulate the effects of an isotropic system of randomly oriented nanotubes in the epoxy. The randomly oriented covalently functionalized SWNT/Epoxy nanocomposites showed substantial improvements over the plain epoxy in terms of higher stiffness (200% increase) and lower thermal expansion (32% reduction). Through MD simulations, we develop means to build simulation cells, perform annealing to reach correct densities, compute thermomechanical properties and compare with experiments. (paper)

  9. Probabilistic predictive modelling of carbon nanocomposites for medical implants design.

    Chua, Matthew; Chui, Chee-Kong

    2015-04-01

    Modelling of the mechanical properties of carbon nanocomposites based on input variables like percentage weight of Carbon Nanotubes (CNT) inclusions is important for the design of medical implants and other structural scaffolds. Current constitutive models for the mechanical properties of nanocomposites may not predict well due to differences in conditions, fabrication techniques and inconsistencies in reagents properties used across industries and laboratories. Furthermore, the mechanical properties of the designed products are not deterministic, but exist as a probabilistic range. A predictive model based on a modified probabilistic surface response algorithm is proposed in this paper to address this issue. Tensile testing of three groups of different CNT weight fractions of carbon nanocomposite samples displays scattered stress-strain curves, with the instantaneous stresses assumed to vary according to a normal distribution at a specific strain. From the probabilistic density function of the experimental data, a two factors Central Composite Design (CCD) experimental matrix based on strain and CNT weight fraction input with their corresponding stress distribution was established. Monte Carlo simulation was carried out on this design matrix to generate a predictive probabilistic polynomial equation. The equation and method was subsequently validated with more tensile experiments and Finite Element (FE) studies. The method was subsequently demonstrated in the design of an artificial tracheal implant. Our algorithm provides an effective way to accurately model the mechanical properties in implants of various compositions based on experimental data of samples. Copyright © 2015 Elsevier Ltd. All rights reserved.

  10. Incorporating interfacial phenomena in solidification models

    Beckermann, Christoph; Wang, Chao Yang

    1994-01-01

    A general methodology is available for the incorporation of microscopic interfacial phenomena in macroscopic solidification models that include diffusion and convection. The method is derived from a formal averaging procedure and a multiphase approach, and relies on the presence of interfacial integrals in the macroscopic transport equations. In a wider engineering context, these techniques are not new, but their application in the analysis and modeling of solidification processes has largely been overlooked. This article describes the techniques and demonstrates their utility in two examples in which microscopic interfacial phenomena are of great importance.

  11. Incorporating neurophysiological concepts in mathematical thermoregulation models

    Kingma, Boris R. M.; Vosselman, M. J.; Frijns, A. J. H.; van Steenhoven, A. A.; van Marken Lichtenbelt, W. D.

    2014-01-01

    Skin blood flow (SBF) is a key player in human thermoregulation during mild thermal challenges. Various numerical models of SBF regulation exist. However, none explicitly incorporates the neurophysiology of thermal reception. This study tested a new SBF model that is in line with experimental data on thermal reception and the neurophysiological pathways involved in thermoregulatory SBF control. Additionally, a numerical thermoregulation model was used as a platform to test the function of the neurophysiological SBF model for skin temperature simulation. The prediction-error of the SBF-model was quantified by root-mean-squared-residual (RMSR) between simulations and experimental measurement data. Measurement data consisted of SBF (abdomen, forearm, hand), core and skin temperature recordings of young males during three transient thermal challenges (1 development and 2 validation). Additionally, ThermoSEM, a thermoregulation model, was used to simulate body temperatures using the new neurophysiological SBF-model. The RMSR between simulated and measured mean skin temperature was used to validate the model. The neurophysiological model predicted SBF with an accuracy of RMSR human thermoregulation models can be equipped with SBF control functions that are based on neurophysiology without loss of performance. The neurophysiological approach in modelling thermoregulation is favourable over engineering approaches because it is more in line with the underlying physiology.

  12. Dextran hydrogels incorporated with bioactive glass-ceramic: Nanocomposite scaffolds for bone tissue engineering.

    Nikpour, Parisa; Salimi-Kenari, Hamed; Fahimipour, Farahnaz; Rabiee, Sayed Mahmood; Imani, Mohammad; Dashtimoghadam, Erfan; Tayebi, Lobat

    2018-06-15

    A series of nanocomposite scaffolds comprised of dextran (Dex) and sol-gel derived bioactive glass ceramic nanoparticles (nBGC: 0-16 (wt%)) were fabricated as bioactive scaffolds for bone tissue engineering. Scanning electron microscopy showed Dex/nBGC scaffolds were consisting of a porous 3D microstructure with an average pore size of 240 μm. Energy-dispersive x-ray spectroscopy illustrated nBGC nanoparticles were homogenously distributed within the Dex matrix at low nBGC content (2 wt%), while agglomeration was observed at higher nBGC contents. It was found that the osmotic pressure and nBGC agglomeration at higher nBGC contents leads to increased water uptake, then reduction of the compressive modulus. Bioactivity of Dex/nBGC scaffolds was validated through apatite formation after submersion in the simulated body fluid. Dex/nBGC composite scaffolds were found to show improved human osteoblasts (HOBs) proliferation and alkaline phosphatase (ALP) activity with increasing nBGC content up to 16 (wt%) over two weeks. Owing to favorable physicochemical and bioactivity properties, the Dex/nBGC composite hydrogels can be offered as promising bioactive scaffolds for bone tissue engineering applications. Copyright © 2018 Elsevier Ltd. All rights reserved.

  13. Multiscale Modeling of Carbon Nanotube-Epoxy Nanocomposites

    Fasanella, Nicholas A.

    Epoxy-composites are widely used in the aerospace industry. In order to improve upon stiffness and thermal conductivity; carbon nanotube additives to epoxies are being explored. This dissertation presents multiscale modeling techniques to study the engineering properties of single walled carbon nanotube (SWNT)-epoxy nanocomposites, consisting of pristine and covalently functionalized systems. Using Molecular Dynamics (MD), thermomechanical properties were calculated for a representative polymer unit cell. Finite Element (FE) and orientation distribution function (ODF) based methods were used in a multiscale framework to obtain macroscale properties. An epoxy network was built using the dendrimer growth approach. The epoxy model was verified by matching the experimental glass transition temperature, density, and dilatation. MD, via the constant valence force field (CVFF), was used to explore the mechanical and dilatometric effects of adding pristine and functionalized SWNTs to epoxy. Full stiffness matrices and linear coefficient of thermal expansion vectors were obtained. The Green-Kubo method was used to investigate the thermal conductivity as a function of temperature for the various nanocomposites. Inefficient phonon transport at the ends of nanotubes is an important factor in the thermal conductivity of the nanocomposites, and for this reason discontinuous nanotubes were modeled in addition to long nanotubes. To obtain continuum-scale elastic properties from the MD data, multiscale modeling was considered to give better control over the volume fraction of nanotubes, and investigate the effects of nanotube alignment. Two methods were considered; an FE based method, and an ODF based method. The FE method probabilistically assigned elastic properties of elements from the MD lattice results based on the desired volume fraction and alignment of the nanotubes. For the ODF method, a distribution function was generated based on the desired amount of nanotube alignment

  14. Determination of Partition Coefficients of Selected Model Migrants between Polyethylene and Polypropylene and Nanocomposite Polypropylene

    Pablo Otero-Pazos

    2016-01-01

    Full Text Available Studies on nanoparticles have focused the attention of the researchers because they can produce nanocomposites that exhibit unexpected hybrid properties. Polymeric materials are commonly used in food packaging, but from the standpoint of food safety, one of the main concerns on the use of these materials is the potential migration of low molecular substances from the packaging into the food. The key parameters of this phenomenon are the diffusion and partition coefficients. Studies on migration from food packaging with nanomaterials are very scarce. This study is focused on the determination of partition coefficients of different model migrants between the low-density polyethylene (LDPE and polypropylene (PP and between LDPE and nanocomposite polypropylene (naPP. The results show that the incorporation of nanoparticles in polypropylene increases the mass transport of model migrants from LDPE to naPP. This quantity of migrants absorbed into PP and naPP depends partially on the nature of the polymer and slightly on the chemical features of the migrant. Relation (RPP/naPP between partition coefficient KLDPE/PP and partition coefficient KLDPE/naPP at 60°C and 80°C shows that only BHT at 60°C has a RPP/naPP less than 1. On the other hand, bisphenol A has the highest RPP/naPP with approximately 50 times more.

  15. Incorporating damage mechanics into explosion simulation models

    Sammis, C.G.

    1993-01-01

    The source region of an underground explosion is commonly modeled as a nested series of shells. In the innermost open-quotes hydrodynamic regimeclose quotes pressures and temperatures are sufficiently high that the rock deforms as a fluid and may be described using a PVT equation of state. Just beyond the hydrodynamic regime, is the open-quotes non-linear regimeclose quotes in which the rock has shear strength but the deformation is nonlinear. This regime extends out to the open-quotes elastic radiusclose quotes beyond which the deformation is linear. In this paper, we develop a model for the non-linear regime in crystalline source rock where the nonlinearity is mostly due to fractures. We divide the non-linear regime into a open-quotes damage regimeclose quotes in which the stresses are sufficiently high to nucleate new fractures from preexisting ones and a open-quotes crack-slidingclose quotes regime where motion on preexisting cracks produces amplitude dependent attenuation and other non-linear effects, but no new cracks are nucleated. The boundary between these two regimes is called the open-quotes damage radius.close quotes The micromechanical damage mechanics recently developed by Ashby and Sammis (1990) is used to write an analytic expression for the damage radius in terms of the initial fracture spectrum of the source rock, and to develop an algorithm which may be used to incorporate damage mechanics into computer source models for the damage regime. Effects of water saturation and loading rate are also discussed

  16. Incorporation of Co into MoS2/graphene nanocomposites: One effective way to enhance the cycling stability of Li/Na storage

    Li, Xiaomin; Feng, Zhenxing; Zai, Jiantao; Ma, Zi-Feng; Qian, Xuefeng

    2018-01-01

    Layered transition metal dichalcogenides are promising as lithium and/or sodium storage materials for lithium and sodium (Li/Na) ion batteries. However they always exhibit limited rate capability and long-term cycling stability, due to the fact that their 2D structures are easily restacking and agglomeration during cycling process and further result poor electrochemical reversibility. Herein, hierarchical Co1/3Mo2/3S2/graphene nanocomposites without CoSx and MoS2 impurities have been synthesized via one-pot solvothermal process. The incorporation of Co into MoS2 at atomic level can not only give rise to thinner and smaller nanosheets in the nanocomposites than MoS2/graphene nanocomposites, but also significantly decrease the size of in-situ formed MoS2/CoSx nanoparticles during electrochemical conversion process, which can greatly promoting the ion diffusion and suppressing the aggregation of active materials. Furthermore, the conductivity of Co1/3Mo2/3S2/graphene nanocomposites can be enhanced from 0.46 S m-1 (MoS2/graphene) to 1.39 S m-1via changing the semiconducting MoS2 to metallic Co1/3Mo2/3S2. The simultaneously optimized electron conductivity and ions diffusion dynamics of Co1/3Mo2/3S2/graphene nanocomposites can effectively improve the reversibility of electrochemical conversion reactions. A capacity of 940 mAh g-1 and 529 mAh g-1 can be maintained at 3200th cycle (2 A g-1) in lithium-ion batteries and 200th cycle (1 A g-1) in sodium-ion batteries, respectively.

  17. Modeling Percolation in Polymer Nanocomposites by Stochastic Microstructuring

    Matias Soto

    2015-09-01

    Full Text Available A methodology was developed for the prediction of the electrical properties of carbon nanotube-polymer nanocomposites via Monte Carlo computational simulations. A two-dimensional microstructure that takes into account waviness, fiber length and diameter distributions is used as a representative volume element. Fiber interactions in the microstructure are identified and then modeled as an equivalent electrical circuit, assuming one-third metallic and two-thirds semiconductor nanotubes. Tunneling paths in the microstructure are also modeled as electrical resistors, and crossing fibers are accounted for by assuming a contact resistance associated with them. The equivalent resistor network is then converted into a set of linear equations using nodal voltage analysis, which is then solved by means of the Gauss–Jordan elimination method. Nodal voltages are obtained for the microstructure, from which the percolation probability, equivalent resistance and conductivity are calculated. Percolation probability curves and electrical conductivity values are compared to those found in the literature.

  18. Multiscale Modeling of Thermal Conductivity of Polymer/Carbon Nanocomposites

    Clancy, Thomas C.; Frankland, Sarah-Jane V.; Hinkley, Jeffrey A.; Gates, Thomas S.

    2010-01-01

    Molecular dynamics simulation was used to estimate the interfacial thermal (Kapitza) resistance between nanoparticles and amorphous and crystalline polymer matrices. Bulk thermal conductivities of the nanocomposites were then estimated using an established effective medium approach. To study functionalization, oligomeric ethylene-vinyl alcohol copolymers were chemically bonded to a single wall carbon nanotube. The results, in a poly(ethylene-vinyl acetate) matrix, are similar to those obtained previously for grafted linear hydrocarbon chains. To study the effect of noncovalent functionalization, two types of polyethylene matrices. -- aligned (extended-chain crystalline) vs. amorphous (random coils) were modeled. Both matrices produced the same interfacial thermal resistance values. Finally, functionalization of edges and faces of plate-like graphite nanoparticles was found to be only modestly effective in reducing the interfacial thermal resistance and improving the composite thermal conductivity

  19. Fabrication of nanocomposite mat through incorporating bioactive glass particles into gelatin/poly(ε-caprolactone) nanofibers by using Box-Behnken design.

    Gönen, Seza Özge; Erol Taygun, Melek; Aktürk, Ayşen; Küçükbayrak, Sadriye

    2016-10-01

    The current research was conducted to propose a nanocomposite material, which could be suitable to be used as a scaffold for bone tissue engineering applications. For this purpose, nanocomposite fibers of gelatin, poly(ε-caprolactone) (PCL), and bioactive glass were successfully fabricated via electrospinning process. In this context, response surface methodology based on a three-level, four-variable Box-Behnken design was adopted as an optimization tool to choose the most appropriate parameter settings to obtain the desired fiber diameter. The investigation, based on a second order polynomial model, focused on the analysis of the effect of both solution and processing parameters on the fiber diameter and its standard deviation. In optimum conditions (bioactive glass content of 7.5% (w/v), applied voltage of 25kV, tip-to-collector distance of 12.5cm, and flow rate of 1mL/h), the fiber diameter was found to be 584±337nm which was in good agreement with the predicted value by the developed models (523±290nm). Analytical tools such as scanning electron microscopy, X-ray diffraction analysis, Fourier transform infrared spectroscopy, and differential thermal analyzer were used for further evaluation of the optimized nanocomposite mat. The overall results showed that nanocomposite scaffolds could be promising candidates for tissue engineering applications. Copyright © 2016. Published by Elsevier B.V.

  20. Fabrication of nanocomposite mat through incorporating bioactive glass particles into gelatin/poly(ε-caprolactone) nanofibers by using Box–Behnken design

    Gönen, Seza Özge, E-mail: gonens@itu.edu.tr; Erol Taygun, Melek; Aktürk, Ayşen; Küçükbayrak, Sadriye

    2016-10-01

    The current research was conducted to propose a nanocomposite material, which could be suitable to be used as a scaffold for bone tissue engineering applications. For this purpose, nanocomposite fibers of gelatin, poly(ε-caprolactone) (PCL), and bioactive glass were successfully fabricated via electrospinning process. In this context, response surface methodology based on a three-level, four-variable Box-Behnken design was adopted as an optimization tool to choose the most appropriate parameter settings to obtain the desired fiber diameter. The investigation, based on a second order polynomial model, focused on the analysis of the effect of both solution and processing parameters on the fiber diameter and its standard deviation. In optimum conditions (bioactive glass content of 7.5% (w/v), applied voltage of 25 kV, tip-to-collector distance of 12.5 cm, and flow rate of 1 mL/h), the fiber diameter was found to be 584 ± 337 nm which was in good agreement with the predicted value by the developed models (523 ± 290 nm). Analytical tools such as scanning electron microscopy, X-ray diffraction analysis, Fourier transform infrared spectroscopy, and differential thermal analyzer were used for further evaluation of the optimized nanocomposite mat. The overall results showed that nanocomposite scaffolds could be promising candidates for tissue engineering applications. - Highlights: • Nanocomposite fibers of gelatin, PCL, and bioactive glass were successfully fabricated. • Three-level, four-variable Box-Behnken design was adopted as an optimization tool. • The individual and interactive effects of the electrospinning parameters were determined. • Quadratic models were used to adjust the fiber diameter and its standard deviation.

  1. Fabrication of nanocomposite mat through incorporating bioactive glass particles into gelatin/poly(ε-caprolactone) nanofibers by using Box–Behnken design

    Gönen, Seza Özge; Erol Taygun, Melek; Aktürk, Ayşen; Küçükbayrak, Sadriye

    2016-01-01

    The current research was conducted to propose a nanocomposite material, which could be suitable to be used as a scaffold for bone tissue engineering applications. For this purpose, nanocomposite fibers of gelatin, poly(ε-caprolactone) (PCL), and bioactive glass were successfully fabricated via electrospinning process. In this context, response surface methodology based on a three-level, four-variable Box-Behnken design was adopted as an optimization tool to choose the most appropriate parameter settings to obtain the desired fiber diameter. The investigation, based on a second order polynomial model, focused on the analysis of the effect of both solution and processing parameters on the fiber diameter and its standard deviation. In optimum conditions (bioactive glass content of 7.5% (w/v), applied voltage of 25 kV, tip-to-collector distance of 12.5 cm, and flow rate of 1 mL/h), the fiber diameter was found to be 584 ± 337 nm which was in good agreement with the predicted value by the developed models (523 ± 290 nm). Analytical tools such as scanning electron microscopy, X-ray diffraction analysis, Fourier transform infrared spectroscopy, and differential thermal analyzer were used for further evaluation of the optimized nanocomposite mat. The overall results showed that nanocomposite scaffolds could be promising candidates for tissue engineering applications. - Highlights: • Nanocomposite fibers of gelatin, PCL, and bioactive glass were successfully fabricated. • Three-level, four-variable Box-Behnken design was adopted as an optimization tool. • The individual and interactive effects of the electrospinning parameters were determined. • Quadratic models were used to adjust the fiber diameter and its standard deviation.

  2. Thermal conductivity and stability of a three-phase blend of carbon nanotubes, conductive polymer, and silver nanoparticles incorporated into polycarbonate nanocomposites

    Patole, Archana

    2015-04-16

    Metallic and non-metallic nanofillers can be used together in the design of polycarbonate (PC) nanocomposites with improved electrical properties. Here, the preparation of three-phase blend (carbon nanotubes (CNT), silver nanoparticles, and conductive polymer) in a two-step process before incorporation in the PC is reported. First, ethylene diamine functionalized multiwall carbon nanotubes (MWCNT-EDA) were decorated with Ag nanoparticles. Next, the Ag-decorated CNTs were coated with poly(3,4-ethylenedioxythiophene) polystyrene sulfonate (PEDOT:PSS). Due to the high thermal conductivity instrinsic to both metallic and non-metallic phases, it is expected that the thermal properties of the resulting nanocomposite would largely differ from those of pristine PC. We thus investigated in detail how this hybrid conductive blend affected properties such as the glass transition temperature, the thermal stability, and the thermal conductivity of the nanocomposite. It was found that this strategy results in improved thermal conductivity and thermal stability of the material. © 2015 Wiley Periodicals, Inc.

  3. Thermal conductivity and stability of a three-phase blend of carbon nanotubes, conductive polymer, and silver nanoparticles incorporated into polycarbonate nanocomposites

    Patole, Archana; Ventura, Isaac Aguilar; Lubineau, Gilles

    2015-01-01

    Metallic and non-metallic nanofillers can be used together in the design of polycarbonate (PC) nanocomposites with improved electrical properties. Here, the preparation of three-phase blend (carbon nanotubes (CNT), silver nanoparticles, and conductive polymer) in a two-step process before incorporation in the PC is reported. First, ethylene diamine functionalized multiwall carbon nanotubes (MWCNT-EDA) were decorated with Ag nanoparticles. Next, the Ag-decorated CNTs were coated with poly(3,4-ethylenedioxythiophene) polystyrene sulfonate (PEDOT:PSS). Due to the high thermal conductivity instrinsic to both metallic and non-metallic phases, it is expected that the thermal properties of the resulting nanocomposite would largely differ from those of pristine PC. We thus investigated in detail how this hybrid conductive blend affected properties such as the glass transition temperature, the thermal stability, and the thermal conductivity of the nanocomposite. It was found that this strategy results in improved thermal conductivity and thermal stability of the material. © 2015 Wiley Periodicals, Inc.

  4. Preparation and characterization of polyhedral oligomer silsesquioxane nanocomposites incorporated in epoxy resin; Elaboracao e caracterizacao de nanocompositos de oligomero poliedrico de silsesquioxano incorporados na resina epoxidica

    Longhi, Marielen; Zini, Lucas Pandolphi; Birriel, Eliena Jonko; Kunst, Sandra Raquel; Zattera, Ademir Jose, E-mail: marielen_longhi@hotmail.com [Universidade de Caxias do Sul (LPOL/UCS), RS (Brazil). Laboratorio de Polimeros; Pistor, Vinicius [Universidade Federal do Rio Grande do Sul (UFRGS), Porto Alegre, RS (Brazil)

    2015-07-01

    The incorporation of nanofiller in thermosetting like epoxy resin as has been studied in order to modify its properties. In this research, nanocomposites were obtained by incorporating 5% by weight of three polyhedral oligomeric silsesquioxane (POSS) with different number of functionalization: Glicidilisobutil-POSS, Triglicidilisobutil- POSS and Glicicil POSS in an epoxy matrix by sonification process. The nanocomposites were characterized by analysis of X-ray diffraction (DRX), transmission electron microscopy (TEM) and thermogravimetric analysis (TGA). The DRX analysis showed the characteristic peak of POSS and TEM images showed that there is a difference in the dispersion of nanocages for the difference in the number of epoxy groups on the POSS. The incorporation of Glicidilisobutil-POSS showed a significant increase in the glass transition temperature (Tg) value, and also that the most effective from the viewpoint of the dispersion, on the other hand, the Glycidyl-POSS had a greater influence on the thermal stability demonstrating that the dispersion medium is an important characteristic to define the most desirable properties. (author)

  5. Tuning of magnetic properties and structure of granular FeCoZr-Al{sub 2}O{sub 3} nanocomposites by oxygen incorporation

    Saad, A. [Al-Balqa Applied University, Applied Science Department, Salt (Jordan); Fedotova, J. [NC PHEP Belarusian State University, 153 M.Bogdanovich str., 220040 Minsk (Belarus)], E-mail: Julia@hep.by; Nechaj, J. [NC PHEP Belarusian State University, 153 M.Bogdanovich str., 220040 Minsk (Belarus); Szilagyi, E. [KFKI Research Institute for Particle and Nuclear Physics, H-1525 Budapest, P.O. Box 49 (Hungary); Marszalek, M. [Niewodniczanski Institute of Nuclear Physics PAN, 31-342 Cracow (Poland)

    2009-03-05

    Effect of oxygen incorporation on the magnetic properties and structure of (FeCoZr){sub x}(Al{sub 2}O{sub 3}){sub 1-x} (17% < x < 65%) nanocomposites sputtered in pure Ar and mixed Ar + O ambient was investigated using Backscattering spectrometry, SQUID-magnetometry, atomic force microscopy/magnetic force microscopy (AFM/MFM) and Moessbauer spectroscopy. The basic differences in the magnetic state of both series were extracted by comparing their coercivity fields, magnetization, MFM magnetic contrast and discussed with regard to the formation of complex FeCo-oxides.

  6. Manganese-incorporated iron(III) oxide-graphene magnetic nanocomposite: synthesis, characterization, and application for the arsenic(III)-sorption from aqueous solution

    Nandi, Debabrata; Gupta, Kaushik; Ghosh, Arup Kumar [Presidency University, Department of Chemistry and Biochemistry (India); De, Amitabha [Saha Institute of Nuclear Physics, Chemical Science Division (India); Banerjee, Sangam [Saha Institute of Nuclear Physics, Surface Physics Division (India); Ghosh, Uday Chand, E-mail: ucghosh@yahoo.co.in [Presidency University, Department of Chemistry and Biochemistry (India)

    2012-12-15

    High specific surface area of graphene (GR) has gained special scientific attention in developing magnetic GR nanocomposite aiming to apply for the remediation of diverse environmental problems like point-of-use water purification and simultaneous separation of contaminants applying low external magnetic field (<1.0 T) from ground water. Fabrication of magnetic manganese-incorporated iron(III) oxide (Mn{sub x}{sup 2+}Fe{sub 2-x}{sup 3+}O{sub 4}{sup 2-}) (IMBO)-GR nanocomposite is reported by exfoliating the GR layers. Latest microscopic, spectroscopic, powder X-ray diffraction, BET surface area, and superconducting quantum interference device characterizations showed that the material is a magnetic nanocomposite with high specific surface area (280 m{sup 2} g{sup -1}) and pore volume (0.3362 cm{sup 3} g{sup -1}). Use of this composite for the immobilization of carcinogenic As(III) from water at 300 K and pH {approx}7.0 showed that the nanocomposite has higher binding efficiency with As(III) than the IMBO owing to its high specific surface area. The composite showed almost complete (>99.9 %) As(III) removal ({<=}10 {mu}g L{sup -1}) from water. External magnetic field of 0.3 T efficiently separated the water dispersed composite (0.01 g/10 mL) at room temperature (300 K). Thus, this composite is a promising material which can be used effectively as a potent As(III) immobilizer from the contaminated groundwater (>10 {mu}g L{sup -1}) to improve drinking water quality.

  7. Incorporating direct marketing activity into latent attrition models

    Schweidel, David A.; Knox, George

    2013-01-01

    When defection is unobserved, latent attrition models provide useful insights about customer behavior and accurate forecasts of customer value. Yet extant models ignore direct marketing efforts. Response models incorporate the effects of direct marketing, but because they ignore latent attrition,

  8. 3D printing of CNT- and graphene-based conductive polymer nanocomposites by fused deposition modeling

    Gnanasekaran, K.; Heijmans, T.; van Bennekom, S.; Woldhuis, H.; Wijnia, S.; de With, G.; Friedrich, H.

    2017-01-01

    Fused deposition modeling (FDM) is limited by the availability of application specific functional materials. Here we illustrate printing of non-conventional polymer nanocomposites (CNT- and graphene-based polybutylene terephthalate (PBT)) on a commercially available desktop 3D printer leading toward printing of electrically conductive structures. The printability, electrical conductivity and mechanical stability of the polymer nanocomposites before and after 3D printing was evaluated. The res...

  9. Preparation, Characterization, and Modeling of Carbon Nanofiber/Epoxy Nanocomposites

    Lan-Hui Sun

    2011-01-01

    Full Text Available There is a lack of systematic investigations on both mechanical and electrical properties of carbon nanofiber (CNF-reinforced epoxy matrix nanocomposites. In this paper, an in-depth study of both static and dynamic mechanical behaviors and electrical properties of CNF/epoxy nanocomposites with various contents of CNFs is provided. A modified Halpin-Tsai equation is used to evaluate the Young's modulus and storage modulus of the nanocomposites. The values of Young's modulus predicted using this method account for the effect of the CNF agglomeration and fit well with those obtained experimentally. The results show that the highest tensile strength is found in the epoxy nanocomposite with a 1.0 wt% CNFs. The alternate-current (AC electrical properties of the CNF/epoxy nanocomposites exhibit a typical insulator-conductor transition. The conductivity increases by four orders of magnitude with the addition of 0.1 wt% (0.058 vol% CNFs and by ten orders of magnitude for nanocomposites with CNF volume fractions higher than 1.0 wt% (0.578 vol%. The percolation threshold (i.e., the critical CNF volume fraction is found to be at 0.057 vol%.

  10. Incorporating uncertainty in predictive species distribution modelling.

    Beale, Colin M; Lennon, Jack J

    2012-01-19

    Motivated by the need to solve ecological problems (climate change, habitat fragmentation and biological invasions), there has been increasing interest in species distribution models (SDMs). Predictions from these models inform conservation policy, invasive species management and disease-control measures. However, predictions are subject to uncertainty, the degree and source of which is often unrecognized. Here, we review the SDM literature in the context of uncertainty, focusing on three main classes of SDM: niche-based models, demographic models and process-based models. We identify sources of uncertainty for each class and discuss how uncertainty can be minimized or included in the modelling process to give realistic measures of confidence around predictions. Because this has typically not been performed, we conclude that uncertainty in SDMs has often been underestimated and a false precision assigned to predictions of geographical distribution. We identify areas where development of new statistical tools will improve predictions from distribution models, notably the development of hierarchical models that link different types of distribution model and their attendant uncertainties across spatial scales. Finally, we discuss the need to develop more defensible methods for assessing predictive performance, quantifying model goodness-of-fit and for assessing the significance of model covariates.

  11. A Financial Market Model Incorporating Herd Behaviour.

    Wray, Christopher M; Bishop, Steven R

    2016-01-01

    Herd behaviour in financial markets is a recurring phenomenon that exacerbates asset price volatility, and is considered a possible contributor to market fragility. While numerous studies investigate herd behaviour in financial markets, it is often considered without reference to the pricing of financial instruments or other market dynamics. Here, a trader interaction model based upon informational cascades in the presence of information thresholds is used to construct a new model of asset price returns that allows for both quiescent and herd-like regimes. Agent interaction is modelled using a stochastic pulse-coupled network, parametrised by information thresholds and a network coupling probability. Agents may possess either one or two information thresholds that, in each case, determine the number of distinct states an agent may occupy before trading takes place. In the case where agents possess two thresholds (labelled as the finite state-space model, corresponding to agents' accumulating information over a bounded state-space), and where coupling strength is maximal, an asymptotic expression for the cascade-size probability is derived and shown to follow a power law when a critical value of network coupling probability is attained. For a range of model parameters, a mixture of negative binomial distributions is used to approximate the cascade-size distribution. This approximation is subsequently used to express the volatility of model price returns in terms of the model parameter which controls the network coupling probability. In the case where agents possess a single pulse-coupling threshold (labelled as the semi-infinite state-space model corresponding to agents' accumulating information over an unbounded state-space), numerical evidence is presented that demonstrates volatility clustering and long-memory patterns in the volatility of asset returns. Finally, output from the model is compared to both the distribution of historical stock returns and the market

  12. A Financial Market Model Incorporating Herd Behaviour.

    Christopher M Wray

    Full Text Available Herd behaviour in financial markets is a recurring phenomenon that exacerbates asset price volatility, and is considered a possible contributor to market fragility. While numerous studies investigate herd behaviour in financial markets, it is often considered without reference to the pricing of financial instruments or other market dynamics. Here, a trader interaction model based upon informational cascades in the presence of information thresholds is used to construct a new model of asset price returns that allows for both quiescent and herd-like regimes. Agent interaction is modelled using a stochastic pulse-coupled network, parametrised by information thresholds and a network coupling probability. Agents may possess either one or two information thresholds that, in each case, determine the number of distinct states an agent may occupy before trading takes place. In the case where agents possess two thresholds (labelled as the finite state-space model, corresponding to agents' accumulating information over a bounded state-space, and where coupling strength is maximal, an asymptotic expression for the cascade-size probability is derived and shown to follow a power law when a critical value of network coupling probability is attained. For a range of model parameters, a mixture of negative binomial distributions is used to approximate the cascade-size distribution. This approximation is subsequently used to express the volatility of model price returns in terms of the model parameter which controls the network coupling probability. In the case where agents possess a single pulse-coupling threshold (labelled as the semi-infinite state-space model corresponding to agents' accumulating information over an unbounded state-space, numerical evidence is presented that demonstrates volatility clustering and long-memory patterns in the volatility of asset returns. Finally, output from the model is compared to both the distribution of historical stock

  13. A Financial Market Model Incorporating Herd Behaviour

    2016-01-01

    Herd behaviour in financial markets is a recurring phenomenon that exacerbates asset price volatility, and is considered a possible contributor to market fragility. While numerous studies investigate herd behaviour in financial markets, it is often considered without reference to the pricing of financial instruments or other market dynamics. Here, a trader interaction model based upon informational cascades in the presence of information thresholds is used to construct a new model of asset price returns that allows for both quiescent and herd-like regimes. Agent interaction is modelled using a stochastic pulse-coupled network, parametrised by information thresholds and a network coupling probability. Agents may possess either one or two information thresholds that, in each case, determine the number of distinct states an agent may occupy before trading takes place. In the case where agents possess two thresholds (labelled as the finite state-space model, corresponding to agents’ accumulating information over a bounded state-space), and where coupling strength is maximal, an asymptotic expression for the cascade-size probability is derived and shown to follow a power law when a critical value of network coupling probability is attained. For a range of model parameters, a mixture of negative binomial distributions is used to approximate the cascade-size distribution. This approximation is subsequently used to express the volatility of model price returns in terms of the model parameter which controls the network coupling probability. In the case where agents possess a single pulse-coupling threshold (labelled as the semi-infinite state-space model corresponding to agents’ accumulating information over an unbounded state-space), numerical evidence is presented that demonstrates volatility clustering and long-memory patterns in the volatility of asset returns. Finally, output from the model is compared to both the distribution of historical stock returns and the

  14. Micromechanical analysis of nanocomposites using 3D voxel based material model

    Mishnaevsky, Leon

    2012-01-01

    A computational study on the effect of nanocomposite structures on the elastic properties is carried out with the use of the 3D voxel based model of materials and the combined Voigt–Reuss method. A hierarchical voxel based model of a material reinforced by an array of exfoliated and intercalated...... nanoclay platelets surrounded by interphase layers is developed. With this model, the elastic properties of the interphase layer are estimated using the inverse analysis. The effects of aspect ratio, intercalation and orientation of nanoparticles on the elastic properties of the nanocomposites are analyzed....... For modeling the damage in nanocomposites with intercalated structures, “four phase” model is suggested, in which the strength of “intrastack interphase” is lower than that of “outer” interphase around the nanoplatelets. Analyzing the effect of nanoreinforcement in the matrix on the failure probability...

  15. Incorporating territory compression into population models

    Ridley, J; Komdeur, J; Sutherland, WJ; Sutherland, William J.

    The ideal despotic distribution, whereby the lifetime reproductive success a territory's owner achieves is unaffected by population density, is a mainstay of behaviour-based population models. We show that the population dynamics of an island population of Seychelles warblers (Acrocephalus

  16. Modeling glass transition and aging processes in nanocomposites and polymer thin films

    Pryamitsyn, Victor; Ganesan, Venkat

    2010-03-01

    We use a lattice kinetic model of glass transition to study the role of confinement and the presence of nano-inclusions. We have studied freely suspended films of glass-formers and its nanocomposites with ``plastifying'' and ``hardening'' nanoparticles. Using our model we determine the thickness and nanoparticle load dependencies of the Kauzmann temperature T0 and the fragility parameter. We found the glass transition temperature increases with the thickness of the film and the volume fraction of ``hardening'' nanoparticles , while Tg decreases with increase in the loading of ``plastifying'' nanoparticles. We found that the isothermal free volume relaxation rate of the nanocomposite thin film, usually referred as an aging, correlates with the glass transition temperature shift. We also studied the relations between our lattice model and Curro's, Kovacs and Struik's phenomenological models of free volume reduction to deduce physical insights into the mechanisms governing aging processes in thin films and nanocomposites.

  17. Antimicrobial evaluation of novel poly-lactic acid based nanocomposites incorporated with bioactive compounds in-vitro and in refrigerated vacuum-packed cooked sausages.

    Rezaeigolestani, Mohammadreza; Misaghi, Ali; Khanjari, Ali; Basti, Afshin Akhondzadeh; Abdulkhani, Ali; Fayazfar, Samira

    2017-11-02

    Biodegradability and antimicrobial activity of food packaging materials are among the most attractive parameters in modern food industries. In order to develop biodegradable poly-lactic acid (PLA) film to antibacterial nanocomposites, different concentration of Zataria multiflora Bioss. essential oil (ZME), propolis ethanolic extract (PEE) and cellulose nanofiber (CNF) were incorporated to the polymer by solvent casting method. The resulting films were characterized by mechanical and physical tests and their antimicrobial application was evaluated in-vitro against four common foodborne pathogens and in vacuum-packed cooked sausages during refrigerated storage. Mechanical examination revealed that addition of ZME and PEE made films more flexible and incorporation of CNF improved almost all mechanical parameters tested. Moreover, according to physical analysis, incorporation of 0.5% v/v ZME to the composite primary solutions improved water vapor permeability of the resulting films. Almost all of the active films were effective against the tested bacteria except for PLA/PEE films, and maximum antibacterial effects recorded for the films containing both ZME and PEE. Based on the microbiological and sensory evaluation of the sausages, all of the PLA/1%ZME/PEE composites increased the shelf life to >40days. The results indicate that incorporation of natural antimicrobial substances such as ZME and PEE to packaging material could be an interesting approach in development of active packaging material without significant negative effect on polymer technical properties. Copyright © 2017 Elsevier B.V. All rights reserved.

  18. Effect of the incorporation of modified purified clay with different content surfactants in the thermal and mechanical PET nanocomposites; Efeito da incorporacao de argila purificada modificada com diferentes teores de surfactantes nas propriedades termicas e mecanicas dos nanocompositos de PET

    Leite, Itamara F. [Universidade Federal da Paraiba (DEMAT/UFPB), PB (Brazil); Soares, Anna P.S.; Silva, Suedina M.L., E-mail: suedina@yahoo.com.br [Universidade Federal de Campina Grande (UEAMa/CCT/UFCG), PB (Brazil); Malta, Oscar M.L. [Universidade Federal de Pernambuco (DQF/CCEN/UFPE), PE (Brazil)

    2011-07-01

    An organically modified bentonite purified with different amounts of alkyl ammonium salts and alkyl phosphonium was used as filler in the preparation of nanocomposites of poly(ethylene terephthalate) (PET). PET/organophilic bentonite masterbatch were prepared in a Haake torque rheometer at 260° C, 60 rpm for 10min. Then, the master batch obtained were mixed with PET in quantities necessary to obtain the nominal content of 1 wt% of bentonite, a twin screw extruder counter-rotating to 275°C in all heating zones and 60 rpm. Subsequently, the mixtures were injected (Arburg All Rounder), in the form of tensile specimens (ASTM D638). The effect of incorporating this type of filler on thermal and mechanical properties of nanocomposites of PET will be investigated. The incorporation of different types of organoclay to PET resulted in intercalated nanocomposites and partially exfoliated. The intercalated morphology showed higher thermal stability. (author)

  19. Static, rheological and mechanical properties of polymer nanocomposites studied by computer modeling and simulation.

    Liu, Jun; Zhang, Liqun; Cao, Dapeng; Wang, Wenchuan

    2009-12-28

    Polymer nanocomposites (PNCs) often exhibit excellent mechanical, thermal, electrical and optical properties, because they combine the performances of both polymers and inorganic or organic nanoparticles. Recently, computer modeling and simulation are playing an important role in exploring the reinforcement mechanism of the PNCs and even the design of functional PNCs. This report provides an overview of the progress made in past decades in the investigation of the static, rheological and mechanical properties of polymer nanocomposites studied by computer modeling and simulation. Emphases are placed on exploring the mechanisms at the molecular level for the dispersion of nanoparticles in nanocomposites, the effects of nanoparticles on chain conformation and glass transition temperature (T(g)), as well as viscoelastic and mechanical properties. Finally, some future challenges and opportunities in computer modeling and simulation of PNCs are addressed.

  20. Multiscale modeling of graphene- and nanotube-based reinforced polymer nanocomposites

    Montazeri, A. [Computational Physical Sciences Research Laboratory, School of Nano-Science, Institute for Research in Fundamental Sciences (IPM), Tehran (Iran, Islamic Republic of); Rafii-Tabar, H., E-mail: rafii-tabar@nano.ipm.ac.ir [Computational Physical Sciences Research Laboratory, School of Nano-Science, Institute for Research in Fundamental Sciences (IPM), Tehran (Iran, Islamic Republic of); Department of Medical Physics and Biomedical Engineering, and Research Centre for Medical Nanotechnology and Tissue Engineering, Shahid Beheshti University of Medical Sciences, Evin, Tehran (Iran, Islamic Republic of)

    2011-10-31

    A combination of molecular dynamics, molecular structural mechanics, and finite element method is employed to compute the elastic constants of a polymeric nanocomposite embedded with graphene sheets, and carbon nanotubes. The model is first applied to study the effect of inclusion of graphene sheets on the Young modulus of the composite. To explore the significance of the nanofiller geometry, the elastic constants of nanotube-based and graphene-based polymer composites are computed under identical conditions. The reinforcement role of these nanofillers is also investigated in transverse directions. Moreover, the dependence of the nanocomposite's axial Young modulus on the presence of ripples on the surface of the embedded graphene sheets, due to thermal fluctuations, is examined via MD simulations. Finally, we have also studied the effect of sliding motion of graphene layers on the elastic constants of the nanocomposite. -- Highlights: → A hierarchical MD/FEM multiscale model of nanocomposites is developed. → At low nanofiller content, graphene layers perform significantly better than CNTs. → Ripples in the graphene layers reduce the Young modulus of nanocomposites. → The elastic moduli is considerably affected by the shear of graphene layers.

  1. Multiscale modeling of graphene- and nanotube-based reinforced polymer nanocomposites

    Montazeri, A.; Rafii-Tabar, H.

    2011-01-01

    A combination of molecular dynamics, molecular structural mechanics, and finite element method is employed to compute the elastic constants of a polymeric nanocomposite embedded with graphene sheets, and carbon nanotubes. The model is first applied to study the effect of inclusion of graphene sheets on the Young modulus of the composite. To explore the significance of the nanofiller geometry, the elastic constants of nanotube-based and graphene-based polymer composites are computed under identical conditions. The reinforcement role of these nanofillers is also investigated in transverse directions. Moreover, the dependence of the nanocomposite's axial Young modulus on the presence of ripples on the surface of the embedded graphene sheets, due to thermal fluctuations, is examined via MD simulations. Finally, we have also studied the effect of sliding motion of graphene layers on the elastic constants of the nanocomposite. -- Highlights: → A hierarchical MD/FEM multiscale model of nanocomposites is developed. → At low nanofiller content, graphene layers perform significantly better than CNTs. → Ripples in the graphene layers reduce the Young modulus of nanocomposites. → The elastic moduli is considerably affected by the shear of graphene layers.

  2. Process modeling of conductivity in nanocomposites based on reticulated polymers and carbon nanotubes

    Dolgoshej, V.B.; Korskanov, V.V.; Karpova, I.L.; Bardash, L.V.

    2012-01-01

    The dependences of electric conductivities of thermosetting polymer nanocomposites based on epoxy polymer and polycyanurate filled by carbon nanotubes were investigated. Low values of percolation threshold at volume fraction of carbon nanotubes from 0.001 to 0.002 were observed for all samples.Absolute values of the percolation threshold are in good agreement with the results of mathematical modeling. It is established that electrical properties of thermosetting polymer nanocomposites can be characterized in the frame of the same theoretical model despite difference in polymers properties

  3. Unzipped multiwalled carbon nanotubes-incorporated poly(vinylidene fluoride) nanocomposites with enhanced interface and piezoelectric β phase.

    He, Linghao; Xia, Guangmei; Sun, Jing; Zhao, Qiaoling; Song, Rui; Ma, Zhi

    2013-03-01

    An improved method is described for the fabrication of poly(vinylidene fluoride) (PVDF)/carbon nanotubes (CNTs) hybrid materials to solve intrinsic limitation of CNTs. In this study, multiwalled carbon nanotubes (MWCNTs) were unzipped by an oxidative unzipping process before dispersing in PVDF matrix, and unzipped MWCNTs (μCNTs) with different unzipping degrees were obtained through controlling the amounts of oxidant (KMnO(4)). Due to the increased available interface area and specific interaction between the oxygen-containing groups (such as >C=O) in μCNTs and the >CF(2) group of PVDF, the dispersion of μCNTs in PVDF matrix is tremendously improved. The resulting PVDF/μCNTs nanocomposites were characterized by wide angle X-ray diffraction, Fourier transform infrared spectroscopy, differential scanning calorimetry, scanning electron microscopy, and transmission electron microscopy. It is found that μCNTs nucleate PVDF crystallization and enhance piezoelectric β phase with a concomitant decrease of α phase. This is particularly true for the nanocomposites including the μCNTs with higher unzipping degree, in which the mass crystallinity and content of β phase (F(β)) were enhanced, implied by the increased piezoelectric constant d(33). In addition, the increased storage modulus (E') tested by dynamic mechanical analysis confirmed that μCNTs were more effective than pristine MWNTs in terms of reinforcing polymers. Copyright © 2012 Elsevier Inc. All rights reserved.

  4. True dose from incorporated activities. Models for internal dosimetry

    Breustedt, B.; Eschner, W.; Nosske, D.

    2012-01-01

    The assessment of doses after incorporation of radionuclides cannot use direct measurements of the doses, as for example dosimetry in external radiation fields. The only observables are activities in the body or in excretions. Models are used to calculate the doses based on the measured activities. The incorporated activities and the resulting doses can vary by more than seven orders of magnitude between occupational and medical exposures. Nevertheless the models and calculations applied in both cases are similar. Since the models for the different applications have been developed independently by ICRP and MIRD different terminologies have been used. A unified terminology is being developed. (orig.)

  5. Using Rouse-Fowler model to describe radiation-induced electrical conductivity of nanocomposite materials

    Dyuryagina, N. S.; Yalovets, A. P.

    2017-05-01

    Using the Rouse-Fowler (RF) model this work studies the radiation-induced electrical conductivity of a polymer nanocomposite material with spherical nanoparticles against the intensity and exposure time of gamma-ray, concentration and size of nanoparticles. The research has found the energy distribution of localized statesinduced by nanoparticles. The studies were conducted on polymethylmethacrylate (PMMA) with CdS nanoparticles.

  6. 3D printing of CNT- and graphene-based conductive polymer nanocomposites by fused deposition modeling

    Gnanasekaran, K.; Heijmans, T.; van Bennekom, S.; Woldhuis, H.; Wijnia, S.; de With, G.; Friedrich, H.

    2017-01-01

    Fused deposition modeling (FDM) is limited by the availability of application specific functional materials. Here we illustrate printing of non-conventional polymer nanocomposites (CNT- and graphene-based polybutylene terephthalate (PBT)) on a commercially available desktop 3D printer leading toward

  7. Incorporating parametric uncertainty into population viability analysis models

    McGowan, Conor P.; Runge, Michael C.; Larson, Michael A.

    2011-01-01

    Uncertainty in parameter estimates from sampling variation or expert judgment can introduce substantial uncertainty into ecological predictions based on those estimates. However, in standard population viability analyses, one of the most widely used tools for managing plant, fish and wildlife populations, parametric uncertainty is often ignored in or discarded from model projections. We present a method for explicitly incorporating this source of uncertainty into population models to fully account for risk in management and decision contexts. Our method involves a two-step simulation process where parametric uncertainty is incorporated into the replication loop of the model and temporal variance is incorporated into the loop for time steps in the model. Using the piping plover, a federally threatened shorebird in the USA and Canada, as an example, we compare abundance projections and extinction probabilities from simulations that exclude and include parametric uncertainty. Although final abundance was very low for all sets of simulations, estimated extinction risk was much greater for the simulation that incorporated parametric uncertainty in the replication loop. Decisions about species conservation (e.g., listing, delisting, and jeopardy) might differ greatly depending on the treatment of parametric uncertainty in population models.

  8. Modeling the oxygen diffusion of nanocomposite-based food packaging films.

    Bhunia, Kanishka; Dhawan, Sumeet; Sablani, Shyam S

    2012-07-01

    Polymer-layered silicate nanocomposites have been shown to improve the gas barrier properties of food packaging polymers. This study developed a computer simulation model using the commercial software, COMSOL Multiphysics to analyze changes in oxygen barrier properties in terms of relative diffusivity, as influenced by configuration and structural parameters that include volume fraction (φ), aspect ratio (α), intercalation width (W), and orientation angle (θ) of nanoparticles. The simulation was performed at different φ (1%, 3%, 5%, and 7%), α (50, 100, 500, and 1000), and W (1, 3, 5, and 7 nm). The θ value was varied from 0° to 85°. Results show that diffusivity decreases with increasing volume fraction, but beyond φ = 5% and α = 500, diffusivity remained almost constant at W values of 1 and 3 nm. Higher relative diffusivity coincided with increasing W and decreasing α value for the same volume fraction of nanoparticles. Diffusivity increased as the rotational angle increased, gradually diminishing the influence of nanoparticles. Diffusivity increased drastically as θ changed from 15° to 30° (relative increment in relative diffusivity was almost 3.5 times). Nanoparticles with exfoliation configuration exhibited better oxygen barrier properties compared to intercalation. The finite element model developed in this study provides insight into oxygen barrier properties for nanocomposite with a wide range of structural parameters. This model can be used to design and manufacture an ideal nanocomposite-based food packaging film with improved gas barrier properties for industrial applications. The model will assist in designing nanocomposite polymeric structures of desired gas barrier properties for food packaging applications. In addition, this study will be helpful in formulating a combination of nanoparticle structural parameters for designing nanocomposite membranes with selective permeability for the industrial applications including membrane

  9. "Violent Intent Modeling: Incorporating Cultural Knowledge into the Analytical Process

    Sanfilippo, Antonio P.; Nibbs, Faith G.

    2007-08-24

    While culture has a significant effect on the appropriate interpretation of textual data, the incorporation of cultural considerations into data transformations has not been systematic. Recognizing that the successful prevention of terrorist activities could hinge on the knowledge of the subcultures, Anthropologist and DHS intern Faith Nibbs has been addressing the need to incorporate cultural knowledge into the analytical process. In this Brown Bag she will present how cultural ideology is being used to understand how the rhetoric of group leaders influences the likelihood of their constituents to engage in violent or radicalized behavior, and how violent intent modeling can benefit from understanding that process.

  10. Modeling of mesoscale dispersion effect on the piezoresistivity of carbon nanotube-polymer nanocomposites via 3D computational multiscale micromechanics methods

    Ren, Xiang; Seidel, Gary D; Chaurasia, Adarsh K; Oliva-Avilés, Andrés I; Ku-Herrera, José J; Avilés, Francis

    2015-01-01

    In uniaxial tension and compression experiments, carbon nanotube (CNT)-polymer nanocomposites have demonstrated exceptional mechanical and coupled electrostatic properties in the form of piezoresistivity. In order to better understand the correlation of the piezoresistive response with the CNT dispersion at the mesoscale, a 3D computational multiscale micromechanics model based on finite element analysis is constructed to predict the effective macroscale piezoresistive response of CNT/polymer nanocomposites. The key factors that may contribute to the overall piezoresistive response, i.e. the nanoscale electrical tunneling effect, the inherent CNT piezoresistivity and the CNT mesoscale network effect are incorporated in the model based on a 3D multiscale mechanical–electrostatic coupled code. The results not only explain how different nanoscale mechanisms influence the overall macroscale piezoresistive response through the mesoscale CNT network, but also give reason and provide bounds for the wide range of gauge factors found in the literature offering insight regarding how control of the mesoscale CNT networks can be used to tailor nanocomposite piezoresistive response. (paper)

  11. Real time polymer nanocomposites-based physical nanosensors: theory and modeling

    Bellucci, Stefano; Shunin, Yuri; Gopeyenko, Victor; Lobanova-Shunina, Tamara; Burlutskaya, Nataly; Zhukovskii, Yuri

    2017-09-01

    Functionalized carbon nanotubes and graphene nanoribbons nanostructures, serving as the basis for the creation of physical pressure and temperature nanosensors, are considered as tools for ecological monitoring and medical applications. Fragments of nanocarbon inclusions with different morphologies, presenting a disordered system, are regarded as models for nanocomposite materials based on carbon nanoсluster suspension in dielectric polymer environments (e.g., epoxy resins). We have formulated the approach of conductivity calculations for carbon-based polymer nanocomposites using the effective media cluster approach, disordered systems theory and conductivity mechanisms analysis, and obtained the calibration dependences. Providing a proper description of electric responses in nanosensoring systems, we demonstrate the implementation of advanced simulation models suitable for real time control nanosystems. We also consider the prospects and prototypes of the proposed physical nanosensor models providing the comparisons with experimental calibration dependences.

  12. Misfit Layer Compounds and Ferecrystals: Model Systems for Thermoelectric Nanocomposites

    Devin R. Merrill

    2015-04-01

    Full Text Available A basic summary of thermoelectric principles is presented in a historical context, following the evolution of the field from initial discovery to modern day high-zT materials. A specific focus is placed on nanocomposite materials as a means to solve the challenges presented by the contradictory material requirements necessary for efficient thermal energy harvest. Misfit layer compounds are highlighted as an example of a highly ordered anisotropic nanocomposite system. Their layered structure provides the opportunity to use multiple constituents for improved thermoelectric performance, through both enhanced phonon scattering at interfaces and through electronic interactions between the constituents. Recently, a class of metastable, turbostratically-disordered misfit layer compounds has been synthesized using a kinetically controlled approach with low reaction temperatures. The kinetically stabilized structures can be prepared with a variety of constituent ratios and layering schemes, providing an avenue to systematically understand structure-function relationships not possible in the thermodynamic compounds. We summarize the work that has been done to date on these materials. The observed turbostratic disorder has been shown to result in extremely low cross plane thermal conductivity and in plane thermal conductivities that are also very small, suggesting the structural motif could be attractive as thermoelectric materials if the power factor could be improved. The first 10 compounds in the [(PbSe1+δ]m(TiSe2n family (m, n ≤ 3 are reported as a case study. As n increases, the magnitude of the Seebeck coefficient is significantly increased without a simultaneous decrease in the in-plane electrical conductivity, resulting in an improved thermoelectric power factor.

  13. Incorporating nitrogen fixing cyanobacteria in the global biogeochemical model HAMOCC

    Paulsen, Hanna; Ilyina, Tatiana; Six, Katharina

    2015-04-01

    Nitrogen fixation by marine diazotrophs plays a fundamental role in the oceanic nitrogen and carbon cycle as it provides a major source of 'new' nitrogen to the euphotic zone that supports biological carbon export and sequestration. Since most global biogeochemical models include nitrogen fixation only diagnostically, they are not able to capture its spatial pattern sufficiently. Here we present the incorporation of an explicit, dynamic representation of diazotrophic cyanobacteria and the corresponding nitrogen fixation in the global ocean biogeochemical model HAMOCC (Hamburg Ocean Carbon Cycle model), which is part of the Max Planck Institute for Meteorology Earth system model (MPI-ESM). The parameterization of the diazotrophic growth is thereby based on available knowledge about the cyanobacterium Trichodesmium spp., which is considered as the most significant pelagic nitrogen fixer. Evaluation against observations shows that the model successfully reproduces the main spatial distribution of cyanobacteria and nitrogen fixation, covering large parts of the tropical and subtropical oceans. Besides the role of cyanobacteria in marine biogeochemical cycles, their capacity to form extensive surface blooms induces a number of bio-physical feedback mechanisms in the Earth system. The processes driving these interactions, which are related to the alteration of heat absorption, surface albedo and momentum input by wind, are incorporated in the biogeochemical and physical model of the MPI-ESM in order to investigate their impacts on a global scale. First preliminary results will be shown.

  14. Methods improvements incorporated into the SAPHIRE ASP models

    Sattison, M.B.; Blackman, H.S.; Novack, S.D.; Smith, C.L.; Rasmuson, D.M.

    1994-01-01

    The Office for Analysis and Evaluation of Operational Data (AEOD) has sought the assistance of the Idaho National Engineering Laboratory (INEL) to make some significant enhancements to the SAPHIRE-based Accident Sequence Precursor (ASP) models recently developed by the INEL. The challenge of this project is to provide the features of a full-scale PRA within the framework of the simplified ASP models. Some of these features include: (1) uncertainty analysis addressing the standard PRA uncertainties and the uncertainties unique to the ASP models and methodology, (2) incorporation and proper quantification of individual human actions and the interaction among human actions, (3) enhanced treatment of common cause failures, and (4) extension of the ASP models to more closely mimic full-scale PRAs (inclusion of more initiators, explicitly modeling support system failures, etc.). This paper provides an overview of the methods being used to make the above improvements

  15. Methods improvements incorporated into the SAPHIRE ASP models

    Sattison, M.B.; Blackman, H.S.; Novack, S.D.

    1995-01-01

    The Office for Analysis and Evaluation of Operational Data (AEOD) has sought the assistance of the Idaho National Engineering Laboratory (INEL) to make some significant enhancements to the SAPHIRE-based Accident Sequence Precursor (ASP) models recently developed by the INEL. The challenge of this project is to provide the features of a full-scale PRA within the framework of the simplified ASP models. Some of these features include: (1) uncertainty analysis addressing the standard PRA uncertainties and the uncertainties unique to the ASP models and methods, (2) incorporation and proper quantification of individual human actions and the interaction among human actions, (3) enhanced treatment of common cause failures, and (4) extension of the ASP models to more closely mimic full-scale PRAs (inclusion of more initiators, explicitly modeling support system failures, etc.). This paper provides an overview of the methods being used to make the above improvements

  16. Multiscale Micromechanical Modeling of Polymer/Clay Nanocomposites and the Effective Clay Particle

    Sheng, Nuo; Boyce, Mary C.; Parks, David M.; Manovitch, Oleg; Rutledge, Gregory C.; Lee, Hojun; McKinley, Gareth H.

    2003-03-01

    Polymer/clay nanocomposites have been observed to exhibit enhanced mechanical properties at low weight fractions (Wp) of clay. Continuum-based composite modeling reveals that the enhanced properties are strongly dependent on particular features of the second-phase ¡°particles¡+/-; in particular, the particle volume fraction (fp), the particle aspect ratio (L/t), and the ratio of particle mechanical properties to those of the matrix. However, these important aspects of as-processed nanoclay composites have yet to be consistently and accurately defined. A multiscale modeling strategy was developed to account for the hierarchical morphology of the nanocomposite: at a lengthscale of thousands of microns, the structure is one of high aspect ratio particles within a matrix; at the lengthscale of microns, the clay particle structure is either (a) exfoliated clay sheets of nanometer level thickness or (b) stacks of parallel clay sheets separated from one another by interlayer galleries of nanometer level height. Here, quantitative structural parameters extracted from XRD patterns and TEM micrographs are used to determine geometric features of the as-processed clay ¡°particles¡+/-, including L/t and the ratio of fp to Wp. These geometric features, together with estimates of silicate lamina stiffness obtained from molecular dynamics simulations, provide a basis for modeling effective mechanical properties of the clay particle. The structure-based predictions of the macroscopic elastic modulus of the nanocomposite as a function of clay weight fraction are in excellent agreement with experimental data. The adopted methodology offers promise for study of related properties in polymer/clay nanocomposites.

  17. Revealing spatially heterogeneous relaxation in a model nanocomposite

    Cheng, Shiwang; Bocharova, Vera [Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); Mirigian, Stephen; Schweizer, Kenneth S. [Department of Materials Science and Chemistry, Frederick Seitz Materials Research Laboratory, University of Illinois, Urbana, Illinois 61801 (United States); Carrillo, Jan-Michael Y.; Sumpter, Bobby G. [Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); Computer Science and Mathematics Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); Sokolov, Alexei P., E-mail: sokolov@utk.edu [Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); Department of Chemistry, Department of Physics and Astronomy, University of Tennessee, Knoxville, Tennessee 37996 (United States)

    2015-11-21

    The detailed nature of spatially heterogeneous dynamics of glycerol-silica nanocomposites is unraveled by combining dielectric spectroscopy with atomistic simulation and statistical mechanical theory. Analysis of the spatial mobility gradient shows no “glassy” layer, but the α-relaxation time near the nanoparticle grows with cooling faster than the α-relaxation time in the bulk and is ∼20 times longer at low temperatures. The interfacial layer thickness increases from ∼1.8 nm at higher temperatures to ∼3.5 nm upon cooling to near bulk T{sub g}. A real space microscopic description of the mobility gradient is constructed by synergistically combining high temperature atomistic simulation with theory. Our analysis suggests that the interfacial slowing down arises mainly due to an increase of the local cage scale barrier for activated hopping induced by enhanced packing and densification near the nanoparticle surface. The theory is employed to predict how local surface densification can be manipulated to control layer dynamics and shear rigidity over a wide temperature range.

  18. Finite Element Model Characterization Of Nano-Composite Thermal And Environmental Barrier Coatings

    Yamada, Yoshiki; Zhu, Dongming

    2011-01-01

    Thermal and environmental barrier coatings have been applied for protecting Si based ceramic matrix composite components from high temperature environment in advanced gas turbine engines. It has been found that the delamination and lifetime of T/EBC systems generally depend on the initiation and propagation of surface cracks induced by the axial mechanical load in addition to severe thermal loads. In order to prevent T/EBC systems from surface cracking and subsequent delamination due to mechanical and thermal stresses, T/EBC systems reinforced with nano-composite architectures have showed promise to improve mechanical properties and provide a potential crack shielding mechanism such as crack bridging. In this study, a finite element model (FEM) was established to understand the potential beneficial effects of nano-composites systems such as SiC nanotube-reinforced oxide T/EBC systems.

  19. Low-velocity Impact Response of a Nanocomposite Beam Using an Analytical Model

    Mahdi Heydari Meybodi

    Full Text Available AbstractLow-velocity impact of a nanocomposite beam made of glass/epoxy reinforced with multi-wall carbon nanotubes and clay nanoparticles is investigated in this study. Exerting modified rule of mixture (MROM, the mechanical properties of nanocomposite including matrix, nanoparticles or multi-wall carbon nanotubes (MWCNT, and fiber are attained. In order to analyze the low-velocity impact, Euler-Bernoulli beam theory and Hertz's contact law are simultaneously employed to govern the equations of motion. Using Ritz's variational approximation method, a set of nonlinear equations in time domain are obtained, which are solved using a fourth order Runge-Kutta method. The effect of different parameters such as adding nanoparticles or MWCNT's on maximum contact force and energy absorption, stacking sequence, geometrical dimensions (i.e., length, width and height, and initial velocity of the impactor have been studied comprehensively on dynamic behavior of the nanocomposite beam. In addition, the result of analytical model is compared with Finite Element Modeling (FEM.The results reveal that the effect of nanoparticles on energy absorption is more considerable at higher impact energies.

  20. Incorporation of Fe3O4/CNTs nanocomposite in an epoxy coating for corrosion protection of carbon steel

    Pham, Gia Vu; Truc Trinh, Anh; To, Thi Xuan Hang; Duong Nguyen, Thuy; Trang Nguyen, Thu; Hoan Nguyen, Xuan

    2014-09-01

    In this study Fe3O4/CNTs composite with magnetic property was prepared by attaching magnetic nanoparticles (Fe3O4) to carbon nanotubes (CNTs) by hydrothermal method. The obtained Fe3O4/CNTs composite was characterized by Fourier transform infrared (FTIR) spectroscopy, powder x-ray diffraction and transmission electron microscopy. The Fe3O4/CNTs composite was then incorporated into an epoxy coating at concentration of 3 wt%. Corrosion protection of epoxy coating containing Fe3O4/CNTs composite was evaluated by electrochemical impedance spectroscopy and adhesion measurement. The impedance measurements show that Fe3O4/CNTs composite enhanced the corrosion protection of epoxy coating. The corrosion resistance of the carbon steel coated by epoxy coating containing Fe3O4/CNTs composite was significantly higher than that of carbon steel coated by clear epoxy coating and epoxy coating containing CNTs. FE-SEM photographs of fracture surface of coatings showed good dispersion of Fe3O4/CNTs composite in the epoxy matrix.

  1. Incorporation of Fe3O4/CNTs nanocomposite in an epoxy coating for corrosion protection of carbon steel

    Pham, Gia Vu; Trinh, Anh Truc; Hang To, Thi Xuan; Nguyen, Thuy Duong; Nguyen, Thu Trang; Nguyen, Xuan Hoan

    2014-01-01

    In this study Fe 3 O 4 /CNTs composite with magnetic property was prepared by attaching magnetic nanoparticles (Fe 3 O 4 ) to carbon nanotubes (CNTs) by hydrothermal method. The obtained Fe 3 O 4 /CNTs composite was characterized by Fourier transform infrared (FTIR) spectroscopy, powder x-ray diffraction and transmission electron microscopy. The Fe 3 O 4 /CNTs composite was then incorporated into an epoxy coating at concentration of 3 wt%. Corrosion protection of epoxy coating containing Fe 3 O 4 /CNTs composite was evaluated by electrochemical impedance spectroscopy and adhesion measurement. The impedance measurements show that Fe 3 O 4 /CNTs composite enhanced the corrosion protection of epoxy coating. The corrosion resistance of the carbon steel coated by epoxy coating containing Fe 3 O 4 /CNTs composite was significantly higher than that of carbon steel coated by clear epoxy coating and epoxy coating containing CNTs. FE-SEM photographs of fracture surface of coatings showed good dispersion of Fe 3 O 4 /CNTs composite in the epoxy matrix. (paper)

  2. Incorporating model parameter uncertainty into inverse treatment planning

    Lian Jun; Xing Lei

    2004-01-01

    Radiobiological treatment planning depends not only on the accuracy of the models describing the dose-response relation of different tumors and normal tissues but also on the accuracy of tissue specific radiobiological parameters in these models. Whereas the general formalism remains the same, different sets of model parameters lead to different solutions and thus critically determine the final plan. Here we describe an inverse planning formalism with inclusion of model parameter uncertainties. This is made possible by using a statistical analysis-based frameset developed by our group. In this formalism, the uncertainties of model parameters, such as the parameter a that describes tissue-specific effect in the equivalent uniform dose (EUD) model, are expressed by probability density function and are included in the dose optimization process. We found that the final solution strongly depends on distribution functions of the model parameters. Considering that currently available models for computing biological effects of radiation are simplistic, and the clinical data used to derive the models are sparse and of questionable quality, the proposed technique provides us with an effective tool to minimize the effect caused by the uncertainties in a statistical sense. With the incorporation of the uncertainties, the technique has potential for us to maximally utilize the available radiobiology knowledge for better IMRT treatment

  3. A mathematical model for incorporating biofeedback into human postural control

    Ersal Tulga

    2013-02-01

    Full Text Available Abstract Background Biofeedback of body motion can serve as a balance aid and rehabilitation tool. To date, mathematical models considering the integration of biofeedback into postural control have represented this integration as a sensory addition and limited their application to a single degree-of-freedom representation of the body. This study has two objectives: 1 to develop a scalable method for incorporating biofeedback into postural control that is independent of the model’s degrees of freedom, how it handles sensory integration, and the modeling of its postural controller; and 2 to validate this new model using multidirectional perturbation experimental results. Methods Biofeedback was modeled as an additional torque to the postural controller torque. For validation, this biofeedback modeling approach was applied to a vibrotactile biofeedback device and incorporated into a two-link multibody model with full-state-feedback control that represents the dynamics of bipedal stance. Average response trajectories of body sway and center of pressure (COP to multidirectional surface perturbations of subjects with vestibular deficits were used for model parameterization and validation in multiple perturbation directions and for multiple display resolutions. The quality of fit was quantified using average error and cross-correlation values. Results The mean of the average errors across all tactor configurations and perturbations was 0.24° for body sway and 0.39 cm for COP. The mean of the cross-correlation value was 0.97 for both body sway and COP. Conclusions The biofeedback model developed in this study is capable of capturing experimental response trajectory shapes with low average errors and high cross-correlation values in both the anterior-posterior and medial-lateral directions for all perturbation directions and spatial resolution display configurations considered. The results validate that biofeedback can be modeled as an additional

  4. A mathematical model for incorporating biofeedback into human postural control

    2013-01-01

    Background Biofeedback of body motion can serve as a balance aid and rehabilitation tool. To date, mathematical models considering the integration of biofeedback into postural control have represented this integration as a sensory addition and limited their application to a single degree-of-freedom representation of the body. This study has two objectives: 1) to develop a scalable method for incorporating biofeedback into postural control that is independent of the model’s degrees of freedom, how it handles sensory integration, and the modeling of its postural controller; and 2) to validate this new model using multidirectional perturbation experimental results. Methods Biofeedback was modeled as an additional torque to the postural controller torque. For validation, this biofeedback modeling approach was applied to a vibrotactile biofeedback device and incorporated into a two-link multibody model with full-state-feedback control that represents the dynamics of bipedal stance. Average response trajectories of body sway and center of pressure (COP) to multidirectional surface perturbations of subjects with vestibular deficits were used for model parameterization and validation in multiple perturbation directions and for multiple display resolutions. The quality of fit was quantified using average error and cross-correlation values. Results The mean of the average errors across all tactor configurations and perturbations was 0.24° for body sway and 0.39 cm for COP. The mean of the cross-correlation value was 0.97 for both body sway and COP. Conclusions The biofeedback model developed in this study is capable of capturing experimental response trajectory shapes with low average errors and high cross-correlation values in both the anterior-posterior and medial-lateral directions for all perturbation directions and spatial resolution display configurations considered. The results validate that biofeedback can be modeled as an additional torque to the postural

  5. Incorporating modelled subglacial hydrology into inversions for basal drag

    C. P. Koziol

    2017-12-01

    Full Text Available A key challenge in modelling coupled ice-flow–subglacial hydrology is initializing the state and parameters of the system. We address this problem by presenting a workflow for initializing these values at the start of a summer melt season. The workflow depends on running a subglacial hydrology model for the winter season, when the system is not forced by meltwater inputs, and ice velocities can be assumed constant. Key parameters of the winter run of the subglacial hydrology model are determined from an initial inversion for basal drag using a linear sliding law. The state of the subglacial hydrology model at the end of winter is incorporated into an inversion of basal drag using a non-linear sliding law which is a function of water pressure. We demonstrate this procedure in the Russell Glacier area and compare the output of the linear sliding law with two non-linear sliding laws. Additionally, we compare the modelled winter hydrological state to radar observations and find that it is in line with summer rather than winter observations.

  6. An electricity generation planning model incorporating demand response

    Choi, Dong Gu; Thomas, Valerie M.

    2012-01-01

    Energy policies that aim to reduce carbon emissions and change the mix of electricity generation sources, such as carbon cap-and-trade systems and renewable electricity standards, can affect not only the source of electricity generation, but also the price of electricity and, consequently, demand. We develop an optimization model to determine the lowest cost investment and operation plan for the generating capacity of an electric power system. The model incorporates demand response to price change. In a case study for a U.S. state, we show the price, demand, and generation mix implications of a renewable electricity standard, and of a carbon cap-and-trade policy with and without initial free allocation of carbon allowances. This study shows that both the demand moderating effects and the generation mix changing effects of the policies can be the sources of carbon emissions reductions, and also shows that the share of the sources could differ with different policy designs. The case study provides different results when demand elasticity is excluded, underscoring the importance of incorporating demand response in the evaluation of electricity generation policies. - Highlights: ► We develop an electric power system optimization model including demand elasticity. ► Both renewable electricity and carbon cap-and-trade policies can moderate demand. ► Both policies affect the generation mix, price, and demand for electricity. ► Moderated demand can be a significant source of carbon emission reduction. ► For cap-and-trade policies, initial free allowances change outcomes significantly.

  7. Tantalum strength model incorporating temperature, strain rate and pressure

    Lim, Hojun; Battaile, Corbett; Brown, Justin; Lane, Matt

    Tantalum is a body-centered-cubic (BCC) refractory metal that is widely used in many applications in high temperature, strain rate and pressure environments. In this work, we propose a physically-based strength model for tantalum that incorporates effects of temperature, strain rate and pressure. A constitutive model for single crystal tantalum is developed based on dislocation kink-pair theory, and calibrated to measurements on single crystal specimens. The model is then used to predict deformations of single- and polycrystalline tantalum. In addition, the proposed strength model is implemented into Sandia's ALEGRA solid dynamics code to predict plastic deformations of tantalum in engineering-scale applications at extreme conditions, e.g. Taylor impact tests and Z machine's high pressure ramp compression tests, and the results are compared with available experimental data. Sandia National Laboratories is a multi program laboratory managed and operated 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.

  8. Incorporation of chemical kinetic models into process control

    Herget, C.J.; Frazer, J.W.

    1981-01-01

    An important consideration in chemical process control is to determine the precise rationing of reactant streams, particularly when a large time delay exists between the mixing of the reactants and the measurement of the product. In this paper, a method is described for incorporating chemical kinetic models into the control strategy in order to achieve optimum operating conditions. The system is first characterized by determining a reaction rate surface as a function of all input reactant concentrations over a feasible range. A nonlinear constrained optimization program is then used to determine the combination of reactants which produces the specified yield at minimum cost. This operating condition is then used to establish the nominal concentrations of the reactants. The actual operation is determined through a feedback control system employing a Smith predictor. The method is demonstrated on a laboratory bench scale enzyme reactor

  9. Random matrix approach to plasmon resonances in the random impedance network model of disordered nanocomposites

    Olekhno, N. A.; Beltukov, Y. M.

    2018-05-01

    Random impedance networks are widely used as a model to describe plasmon resonances in disordered metal-dielectric and other two-component nanocomposites. In the present work, the spectral properties of resonances in random networks are studied within the framework of the random matrix theory. We have shown that the appropriate ensemble of random matrices for the considered problem is the Jacobi ensemble (the MANOVA ensemble). The obtained analytical expressions for the density of states in such resonant networks show a good agreement with the results of numerical simulations in a wide range of metal filling fractions 0

  10. 3-D computational model of poly (lactic acid)/halloysite nanocomposites: Predicting elastic properties and stress analysis

    De Silva, R. T.; Pasbakhsh, Pooria; Goh, K. L.

    2014-01-01

    of nanotubes with fixed aspect ratio and the proposed alternative real-structure based model takes the experimentally observed variations of HNTs sizes, impurities and aspect ratios into account. The requirements of the 3-D HNTs nanocomposite models have been explored by testing idealized, real structure based...

  11. Digital terrain model generalization incorporating scale, semantic and cognitive constraints

    Partsinevelos, Panagiotis; Papadogiorgaki, Maria

    2014-05-01

    Cartographic generalization is a well-known process accommodating spatial data compression, visualization and comprehension under various scales. In the last few years, there are several international attempts to construct tangible GIS systems, forming real 3D surfaces using a vast number of mechanical parts along a matrix formation (i.e., bars, pistons, vacuums). Usually, moving bars upon a structured grid push a stretching membrane resulting in a smooth visualization for a given surface. Most of these attempts suffer either in their cost, accuracy, resolution and/or speed. Under this perspective, the present study proposes a surface generalization process that incorporates intrinsic constrains of tangible GIS systems including robotic-motor movement and surface stretching limitations. The main objective is to provide optimized visualizations of 3D digital terrain models with minimum loss of information. That is, to minimize the number of pixels in a raster dataset used to define a DTM, while reserving the surface information. This neighborhood type of pixel relations adheres to the basics of Self Organizing Map (SOM) artificial neural networks, which are often used for information abstraction since they are indicative of intrinsic statistical features contained in the input patterns and provide concise and characteristic representations. Nevertheless, SOM remains more like a black box procedure not capable to cope with possible particularities and semantics of the application at hand. E.g. for coastal monitoring applications, the near - coast areas, surrounding mountains and lakes are more important than other features and generalization should be "biased"-stratified to fulfill this requirement. Moreover, according to the application objectives, we extend the SOM algorithm to incorporate special types of information generalization by differentiating the underlying strategy based on topologic information of the objects included in the application. The final

  12. A stochastic MILP energy planning model incorporating power market dynamics

    Koltsaklis, Nikolaos E.; Nazos, Konstantinos

    2017-01-01

    Highlights: •Stochastic MILP model for the optimal energy planning of a power system. •Power market dynamics (offers/bids) are incorporated in the proposed model. •Monte Carlo method for capturing the uncertainty of some key parameters. •Analytical supply cost composition per power producer and activity. •Clean dark and spark spreads are calculated for each power unit. -- Abstract: This paper presents an optimization-based methodological approach to address the problem of the optimal planning of a power system at an annual level in competitive and uncertain power markets. More specifically, a stochastic mixed integer linear programming model (MILP) has been developed, combining advanced optimization techniques with Monte Carlo method in order to deal with uncertainty issues. The main focus of the proposed framework is the dynamic formulation of the strategy followed by all market participants in volatile market conditions, as well as detailed economic assessment of the power system’s operation. The applicability of the proposed approach has been tested on a real case study of the interconnected Greek power system, quantifying in detail all the relevant technical and economic aspects of the system’s operation. The proposed work identifies in the form of probability distributions the optimal power generation mix, electricity trade at a regional level, carbon footprint, as well as detailed total supply cost composition, according to the assumed market structure. The paper demonstrates that the proposed optimization approach is able to provide important insights into the appropriate energy strategies designed by market participants, as well as on the strategic long-term decisions to be made by investors and/or policy makers at a national and/or regional level, underscoring potential risks and providing appropriate price signals on critical energy projects under real market operating conditions.

  13. Manganese-incorporated iron(III) oxide–graphene magnetic nanocomposite: synthesis, characterization, and application for the arsenic(III)-sorption from aqueous solution

    Nandi, Debabrata; Gupta, Kaushik; Ghosh, Arup Kumar; De, Amitabha; Banerjee, Sangam; Ghosh, Uday Chand

    2012-01-01

    High specific surface area of graphene (GR) has gained special scientific attention in developing magnetic GR nanocomposite aiming to apply for the remediation of diverse environmental problems like point-of-use water purification and simultaneous separation of contaminants applying low external magnetic field ( x 2+ Fe 2−x 3+ O 4 2− ) (IMBO)–GR nanocomposite is reported by exfoliating the GR layers. Latest microscopic, spectroscopic, powder X-ray diffraction, BET surface area, and superconducting quantum interference device characterizations showed that the material is a magnetic nanocomposite with high specific surface area (280 m 2 g −1 ) and pore volume (0.3362 cm 3 g −1 ). Use of this composite for the immobilization of carcinogenic As(III) from water at 300 K and pH ∼7.0 showed that the nanocomposite has higher binding efficiency with As(III) than the IMBO owing to its high specific surface area. The composite showed almost complete (>99.9 %) As(III) removal (≤10 μg L −1 ) from water. External magnetic field of 0.3 T efficiently separated the water dispersed composite (0.01 g/10 mL) at room temperature (300 K). Thus, this composite is a promising material which can be used effectively as a potent As(III) immobilizer from the contaminated groundwater (>10 μg L −1 ) to improve drinking water quality.

  14. Incorporating Context Dependency of Species Interactions in Species Distribution Models.

    Lany, Nina K; Zarnetske, Phoebe L; Gouhier, Tarik C; Menge, Bruce A

    2017-07-01

    Species distribution models typically use correlative approaches that characterize the species-environment relationship using occurrence or abundance data for a single species. However, species distributions are determined by both abiotic conditions and biotic interactions with other species in the community. Therefore, climate change is expected to impact species through direct effects on their physiology and indirect effects propagated through their resources, predators, competitors, or mutualists. Furthermore, the sign and strength of species interactions can change according to abiotic conditions, resulting in context-dependent species interactions that may change across space or with climate change. Here, we incorporated the context dependency of species interactions into a dynamic species distribution model. We developed a multi-species model that uses a time-series of observational survey data to evaluate how abiotic conditions and species interactions affect the dynamics of three rocky intertidal species. The model further distinguishes between the direct effects of abiotic conditions on abundance and the indirect effects propagated through interactions with other species. We apply the model to keystone predation by the sea star Pisaster ochraceus on the mussel Mytilus californianus and the barnacle Balanus glandula in the rocky intertidal zone of the Pacific coast, USA. Our method indicated that biotic interactions between P. ochraceus and B. glandula affected B. glandula dynamics across >1000 km of coastline. Consistent with patterns from keystone predation, the growth rate of B. glandula varied according to the abundance of P. ochraceus in the previous year. The data and the model did not indicate that the strength of keystone predation by P. ochraceus varied with a mean annual upwelling index. Balanus glandula cover increased following years with high phytoplankton abundance measured as mean annual chlorophyll-a. M. californianus exhibited the same

  15. Enhanced energy density and thermal conductivity in poly(fluorovinylidene-co-hexafluoropropylene) nanocomposites incorporated with boron nitride nanosheets exfoliated under assistance of hyperbranched polyethylene

    Ye, Huijian; Lu, Tiemei; Xu, Chunfeng; Zhong, Mingqiang; Xu, Lixin

    2018-03-01

    Polymer dielectric film with a large dielectric constant, high energy density and enhanced thermal conductivity are of significance for the development of impulse capacitors. However, the fabrication of polymer dielectrics combining high energy density and thermal conductivity is still a challenge at the moment. Here we demonstrate the facile exfoliation of hexagonal boron nitride nanosheets (BNNSs) in common organic solvents under sonication with the assistance of hyperbranched polyethylene (HBPE). The noncovalent CH-π interactions between the nanosheets and HBPE ensure the dispersion of BNNSs in organic solvents with high concentrations, because of the highly branched chain structure of HBPE. Subsequently, the resultant BNNSs with a few defects are distributed uniformly in the poly(fluorovinylidene-co-hexafluoropropylene) (P(VDF-HFP)) nanocomposite films prepared via simple solution casting. The BNNS/P(VDF-HFP) nanocomposite exhibits outstanding dielectric properties, high energy density and high thermal conductivity. The dielectric constant of the 0.5 wt% nanocomposite film is 35.5 at 100 Hz with an energy density of 5.6 J cm-3 at 325 MV m-1 and a high charge-discharge efficiency of 79% due to the depression of the charge injection and chemical species ionization in a high field. Moreover, a thermal conductivity of 1.0 wt% nanocomposite film reaches 0.91 W·m-1 · K-1, which is 3.13 times higher than that of the fluoropolymer matrix. With dipole accumulation and orientation in the interfacial zone, lightweight, flexible BNNS/P(VDF-HFP) nanocomposite films with high charge-discharge performance and thermal conductivity, exhibit promising applications in relatively high-temperature electronics and energy storage devices.

  16. Model for Volatile Incorporation into Soils and Dust on Mars

    Clark, B. C.; Yen, A.

    2006-12-01

    Martian soils with high content of compounds of sulfur and chlorine are ubiquitous on Mars, having been found at all five landing sites. Sulfate and chloride salts are implicated by a variety of evidence, but few conclusive specific identifications have been made. Discovery of jarosite and Mg-Ca sulfates in outcrops at Meridiani Planum (MER mission) and regional-scale beds of kieserite and gypsum (Mars Express mission) notwithstanding, the sulfates in soils are uncertain. Chlorides or other Cl-containing minerals have not been uniquely identified directly by any method. Viking and Pathfinder missions found trends in the elemental analytical data consistent with MgSO4, but Viking results are biased by duricrust samples and Pathfinder by soil contamination of rock surfaces. The Mars Exploration Rovers (MER) missions have taken extensive data on soils with no confirmation of trends implicating any particular cation. In our model of martian dust and soil, the S and Cl are initially incorporated by condensation or chemisorption on grains directly from gas phase molecules in the atmosphere. It is shown by modeling that the coatings thus formed cannot quantitatively explain the apparent elemental composition of these materials, and therefore involve the migration of ions and formation of microscopic weathering rinds. Original cation inventories of unweathered particles are isochemically conserved. Exposed rock surfaces should also have micro rinds, depending upon the length of time of exposure. Martian soils may therefore have unusual chemical properties when interacting with aqueous layers or infused fluids. Potential ramifications to the quantitative accuracy of x-ray fluorescence and Moessbauer spectroscopy on unprocessed samples are also assessed.

  17. Modeling and Optimization of NLDH/PVDF Ultrafiltration Nanocomposite Membrane Using Artificial Neural Network-Genetic Algorithm Hybrid.

    Arefi-Oskoui, Samira; Khataee, Alireza; Vatanpour, Vahid

    2017-07-10

    In this research, MgAl-CO 3 2- nanolayered double hydroxide (NLDH) was synthesized through a facile coprecipitation method, followed by a hydrothermal treatment. The prepared NLDHs were used as a hydrophilic nanofiller for improving the performance of the PVDF-based ultrafiltration membranes. The main objective of this research was to obtain the optimized formula of NLDH/PVDF nanocomposite membrane presenting the best performance using computational techniques as a cost-effective method. For this aim, an artificial neural network (ANN) model was developed for modeling and expressing the relationship between the performance of the nanocomposite membrane (pure water flux, protein flux and flux recovery ratio) and the affecting parameters including the NLDH, PVP 29000 and polymer concentrations. The effects of the mentioned parameters and the interaction between the parameters were investigated using the contour plot predicted with the developed model. Scanning electron microscopy (SEM), atomic force microscopy (AFM), and water contact angle techniques were applied to characterize the nanocomposite membranes and to interpret the predictions of the ANN model. The developed ANN model was introduced to genetic algorithm (GA) as a bioinspired optimizer to determine the optimum values of input parameters leading to high pure water flux, protein flux, and flux recovery ratio. The optimum values for NLDH, PVP 29000 and the PVDF concentration were determined to be 0.54, 1, and 18 wt %, respectively. The performance of the nanocomposite membrane prepared using the optimum values proposed by GA was investigated experimentally, in which the results were in good agreement with the values predicted by ANN model with error lower than 6%. This good agreement confirmed that the nanocomposite membranes prformance could be successfully modeled and optimized by ANN-GA system.

  18. Polymer Nanocomposites for Wind Energy Applications: Perspectives and Computational Modeling

    Mishnaevsky, Leon; Zhou, H.W.; Peng, R.D.

    2013-01-01

    Strength and reliability of wind blades produced from polymer composites are the important preconditions for the successful development of wind energy. One of the ways to increase the reliability and lifetime of polymer matrix composites is the nanoengineering of matrix or fiber/matrix interfaces...... in these composites. The potential and results of nanoclay reinforcements for the improvement of the mechanical properties of polymer composites are investigated using continuum mechanics and micromechanics methods and effective phase model. It is demonstrated that nanoreinforcement allows to increase the stiffness...

  19. A Simple Optical Model for the Swelling Evaluation in Polymer Nanocomposites

    Anna De Girolamo Del Mauro

    2009-01-01

    In particular, the behavior of poly(2-hydroxyethyl methacrylate (PHEMA and of carbon black/PHEMA nanocomposite layers, used for volatile organic compounds (VOCs detection, was investigated and measured under ethanol vapors exposure (max 1%. The method is very sensitive and the swelling in the range of only few nanometers can be measured. Interestingly, we have found that the nanocomposite undergoes a more pronounced swelling process with respect to pristine polymer. Ethanol diffusion coefficients in the nanocomposite were evaluated.

  20. An analytical model to predict curvature effects of the carbon nanotube on the overall behavior of nanocomposites

    Yang, B. J.; Souri, H.; Lee, H. K.; Kim, Sunghwan; Ryu, Seunghwa

    2014-01-01

    In this study, analytical expressions are introduced to provide a better understanding of carbon nanotubes (CNTs) curvature on the overall behavior of nanocomposites. The curviness of CNT is modeled as the wave geometries, and the transformed physical characteristics are applied to micromechanical framework. Since five independent elastic constants of CNTs are essential to derive the waviness effect, atomistic molecular statics simulations with varying nanotube radii are conducted. Influences of CNT curviness on the effective stiffness of the nanocomposites are analyzed, noting that the curvature effect is significantly influential on the effective stiffness of the nanocomposites, and it may improve or reduce the reinforcing effect depending on the orientation of CNTs. In addition, the predictions are compared with experimental data of the CNT-reinforced nanocomposites to assess the reliability of the proposed method. The developed constitutive model is expected to be used to determine the volume concentration of the reinforcing CNTs and mechanical responses of CNT-reinforced composites under various CNT curvature, radius, and orientation conditions.

  1. Chitosan-based nanocomposites

    Kesavan Pillai, Sreejarani

    2012-08-01

    Full Text Available , and hygiene devices. They thus represent a strong and emerging answer for improved and eco-friendly materials. This chapter reviews the recent developments in the area of chitosan-based nanocomposites, with a special emphasis on clay-containing nanocomposites...-sized mineral fillers like silica, talc, and clay are added to reduce the cost and improve chitosan’s performance in some way. However, the mechanical properties such as elongation at break and tensile strength of these composites decrease with the incorporation...

  2. 75 FR 20265 - Airworthiness Directives; Liberty Aerospace Incorporated Model XL-2 Airplanes

    2010-04-19

    ... Office, 1701 Columbia Avenue, College Park, Georgia 30337; telephone: (404) 474-5524; facsimile: (404... Airworthiness Directives; Liberty Aerospace Incorporated Model XL-2 Airplanes AGENCY: Federal Aviation...-08- 05, which applies to certain Liberty Aerospace Incorporated Model XL-2 airplanes. AD 2009-08-05...

  3. Loss given default models incorporating macroeconomic variables for credit cards

    Crook, J.; Bellotti, T.

    2012-01-01

    Based on UK data for major retail credit cards, we build several models of Loss Given Default based on account level data, including Tobit, a decision tree model, a Beta and fractional logit transformation. We find that Ordinary Least Squares models with macroeconomic variables perform best for forecasting Loss Given Default at the account and portfolio levels on independent hold-out data sets. The inclusion of macroeconomic conditions in the model is important, since it provides a means to m...

  4. Incorporating Contagion in Portfolio Credit Risk Models Using Network Theory

    Anagnostou, I.; Sourabh, S.; Kandhai, D.

    2018-01-01

    Portfolio credit risk models estimate the range of potential losses due to defaults or deteriorations in credit quality. Most of these models perceive default correlation as fully captured by the dependence on a set of common underlying risk factors. In light of empirical evidence, the ability of

  5. Characterization and Modeling of High-Strain Rate Failure Response of Nanocomposites

    National Aeronautics and Space Administration — The primary objective of this proposal is to introduce a simple, versatile, cost-effective device for characterizing dynamic fracture of nanocomposite materials. Of...

  6. Nanocomposite catalyst with palladium nanoparticles encapsulated in a polymeric acid: A model for tandem environmental catalysis

    Isimjan, Tayirjan T.; He, Quan; Liu, Yong; Zhu, Jesse; Puddephatt, Richard J.; Anderson, Darren Jason

    2013-01-01

    The synthesis and characterization of a novel hybrid nanocomposite catalyst comprised of palladium nanoparticles embedded in polystyrene sulfonic acid (PSSH) and supported on metal oxides is reported. The catalysts are intended for application

  7. Incorporating measurement error in n = 1 psychological autoregressive modeling

    Schuurman, Noémi K.; Houtveen, Jan H.; Hamaker, Ellen L.

    2015-01-01

    Measurement error is omnipresent in psychological data. However, the vast majority of applications of autoregressive time series analyses in psychology do not take measurement error into account. Disregarding measurement error when it is present in the data results in a bias of the autoregressive parameters. We discuss two models that take measurement error into account: An autoregressive model with a white noise term (AR+WN), and an autoregressive moving average (ARMA) model. In a simulation study we compare the parameter recovery performance of these models, and compare this performance for both a Bayesian and frequentist approach. We find that overall, the AR+WN model performs better. Furthermore, we find that for realistic (i.e., small) sample sizes, psychological research would benefit from a Bayesian approach in fitting these models. Finally, we illustrate the effect of disregarding measurement error in an AR(1) model by means of an empirical application on mood data in women. We find that, depending on the person, approximately 30–50% of the total variance was due to measurement error, and that disregarding this measurement error results in a substantial underestimation of the autoregressive parameters. PMID:26283988

  8. Model for Anomalous Moisture Diffusion through a Polymer-Clay Nanocomposite

    Drozdov, Aleksey D.; Christiansen, Jesper de Claville; Gupta, R.K.

    2003-01-01

    Experimental data are reported on moisture diffusion and the elastoplastic response of an intercalated nanocomposite with vinyl ester resin matrix and montmorillonite clay filler at room temperature. Observations in diffusion tests showed that water transport in the neat resin is Fickian, whereas...... platelets. Constitutive equations are developed for moisture diffusion through and the elastoplastic behavior of a nanocomposite. Adjustable parameters in these relations are found by fitting the experimental data. Fair agreement is demonstrated between the observations and the results of numerical...

  9. A model for anomalous moisture diffusion through a polymer-clay nanocomposite

    Drozdov, Aleksey D.; Christiansen, Jesper de Claville; Gupta, R.K.

    2002-01-01

    Experimental data are reported on moisture diffusion and the elastoplastic response in uniaxial tensile tests of an intercalated nanocomposite with vinyl ester resin matrix and montmorillonite clay filler at room temperature. Observations in diffusion tests show that the moisture transport...... diffusion through a nanocomposite and for its elastoplastic behavior. Adjustable parameters in these relations are found by fitting the experimental data. Fair agreement is demonstrated between the observations and the results of numerical simulation....

  10. A statistical model for aggregating judgments by incorporating peer predictions

    McCoy, John; Prelec, Drazen

    2017-01-01

    We propose a probabilistic model to aggregate the answers of respondents answering multiple-choice questions. The model does not assume that everyone has access to the same information, and so does not assume that the consensus answer is correct. Instead, it infers the most probable world state, even if only a minority vote for it. Each respondent is modeled as receiving a signal contingent on the actual world state, and as using this signal to both determine their own answer and predict the ...

  11. Markov modulated Poisson process models incorporating covariates for rainfall intensity.

    Thayakaran, R; Ramesh, N I

    2013-01-01

    Time series of rainfall bucket tip times at the Beaufort Park station, Bracknell, in the UK are modelled by a class of Markov modulated Poisson processes (MMPP) which may be thought of as a generalization of the Poisson process. Our main focus in this paper is to investigate the effects of including covariate information into the MMPP model framework on statistical properties. In particular, we look at three types of time-varying covariates namely temperature, sea level pressure, and relative humidity that are thought to be affecting the rainfall arrival process. Maximum likelihood estimation is used to obtain the parameter estimates, and likelihood ratio tests are employed in model comparison. Simulated data from the fitted model are used to make statistical inferences about the accumulated rainfall in the discrete time interval. Variability of the daily Poisson arrival rates is studied.

  12. Incorporating Responsiveness to Marketing Efforts in Brand Choice Modeling

    Dennis Fok

    2014-02-01

    Full Text Available We put forward a brand choice model with unobserved heterogeneity that concerns responsiveness to marketing efforts. We introduce two latent segments of households. The first segment is assumed to respond to marketing efforts, while households in the second segment do not do so. Whether a specific household is a member of the first or the second segment at a specific purchase occasion is described by household-specific characteristics and characteristics concerning buying behavior. Households may switch between the two responsiveness states over time. When comparing the performance of our model with alternative choice models that account for various forms of heterogeneity for three different datasets, we find better face validity for our parameters. Our model also forecasts better.

  13. Particle size modeling and morphology study of chitosan/gelatin/nanohydroxyapatite nanocomposite microspheres for bone tissue engineering.

    Bagheri-Khoulenjani, Shadab; Mirzadeh, Hamid; Etrati-Khosroshahi, Mohammad; Shokrgozar, Mohammad Ali

    2013-06-01

    In this study, nanocomposite microspheres based on chitosan/gelatin/nanohydroxyapatite were fabricated, and effects of the nanohydroxyapatite/biopolymer (chitosan/gelatin) weight ratio (nHA/P), stirring rate, chitosan concentration and biopolymer concentration on the particle size, and morphology of nanocomposite microspheres were investigated. Particle size of microspheres was modeled by design of experiments using the surface response method. Particle size, morphology of microspheres, and distribution of nanoparticles within the composite microspheres were evaluated using an optical microscope, scanning electron microscopy (SEM) and transmission electron microscopy (TEM), respectively. X-ray diffraction and Fourier transform infrared spectroscopy were applied to study the physical and chemical characteristics of microspheres. Results showed that by modulating the nHA/P ratio, chitosan concentration, polymer concentration, and stirring rate, it is possible to fabricate microspheres in wide rages of particle size (5-150 μm). Analysis of variance confirmed that the modified quadratic model can be used to predict the particle size of nanocomposite microspheres within the design space. SEM studies showed that microspheres with different compositions had totally different morphologies from dense morphologies to porous ones. TEM images demonstrated that nanoparticles were distributed uniformly within the polymeric matrix. MTT assay and cell culture studies showed that microspheres with different compositions possessed good biocompatibility. © 2012 Wiley Periodicals, Inc. J Biomed Mater Res Part A, 2013. Copyright © 2012 Wiley Periodicals, Inc.

  14. Analytical modeling of effect of interlayer on effective moduli of layered graphene-polymer nanocomposites

    C.C.Roach; Y.C.Lu

    2017-01-01

    Nanocomposites enhanced with two-dimensional,layered graphene fillers are a new class of engineering materials that exhibit superior properties and characteristics to composites with conventional fillers.However,the roles of "interlayers" in layered graphene fillers have yet to be fully explored.This paper examines the effect of interlayers on mechanical properties of layered graphene polymer composites.As an effective filler,the fundamental properties (in-plane Young's modulus EL1,out-of-plane Young's modulus EL2;shear modulus GL12,major Poisson's ratio 1L12) of the layered graphene were computed by using the Arridge's lamellar model.The effects of interlayers on effective moduli of layered graphene epoxy composites were examined through the Tandon-Weng model.The properties of the interlayer show noticeable impact on elastic properties of the composites,particular the out-of-plane properties (Young's modulus E2 and shear modulus G12).The interlayer spacing is seen to have much great influence on properties of the composites.As the interlayer spacing increases from 0.34 nm to 2 nm,all elastic properties of the composites have been greatly decreased.

  15. Modeling returns volatility: Realized GARCH incorporating realized risk measure

    Jiang, Wei; Ruan, Qingsong; Li, Jianfeng; Li, Ye

    2018-06-01

    This study applies realized GARCH models by introducing several risk measures of intraday returns into the measurement equation, to model the daily volatility of E-mini S&P 500 index futures returns. Besides using the conventional realized measures, realized volatility and realized kernel as our benchmarks, we also use generalized realized risk measures, realized absolute deviation, and two realized tail risk measures, realized value-at-risk and realized expected shortfall. The empirical results show that realized GARCH models using the generalized realized risk measures provide better volatility estimation for the in-sample and substantial improvement in volatility forecasting for the out-of-sample. In particular, the realized expected shortfall performs best for all of the alternative realized measures. Our empirical results reveal that future volatility may be more attributable to present losses (risk measures). The results are robust to different sample estimation windows.

  16. Incorporating pushing in exclusion-process models of cell migration.

    Yates, Christian A; Parker, Andrew; Baker, Ruth E

    2015-05-01

    The macroscale movement behavior of a wide range of isolated migrating cells has been well characterized experimentally. Recently, attention has turned to understanding the behavior of cells in crowded environments. In such scenarios it is possible for cells to interact, inducing neighboring cells to move in order to make room for their own movements or progeny. Although the behavior of interacting cells has been modeled extensively through volume-exclusion processes, few models, thus far, have explicitly accounted for the ability of cells to actively displace each other in order to create space for themselves. In this work we consider both on- and off-lattice volume-exclusion position-jump processes in which cells are explicitly allowed to induce movements in their near neighbors in order to create space for themselves to move or proliferate into. We refer to this behavior as pushing. From these simple individual-level representations we derive continuum partial differential equations for the average occupancy of the domain. We find that, for limited amounts of pushing, comparison between the averaged individual-level simulations and the population-level model is nearly as good as in the scenario without pushing. Interestingly, we find that, in the on-lattice case, the diffusion coefficient of the population-level model is increased by pushing, whereas, for the particular off-lattice model that we investigate, the diffusion coefficient is reduced. We conclude, therefore, that it is important to consider carefully the appropriate individual-level model to use when representing complex cell-cell interactions such as pushing.

  17. Incorporating spiritual beliefs into a cognitive model of worry.

    Rosmarin, David H; Pirutinsky, Steven; Auerbach, Randy P; Björgvinsson, Thröstur; Bigda-Peyton, Joseph; Andersson, Gerhard; Pargament, Kenneth I; Krumrei, Elizabeth J

    2011-07-01

    Cognitive theory and research have traditionally highlighted the relevance of the core beliefs about oneself, the world, and the future to human emotions. For some individuals, however, core beliefs may also explicitly involve spiritual themes. In this article, we propose a cognitive model of worry, in which positive/negative beliefs about the Divine affect symptoms through the mechanism of intolerance of uncertainty. Using mediation analyses, we found support for our model across two studies, in particular, with regards to negative spiritual beliefs. These findings highlight the importance of assessing for spiritual alongside secular convictions when creating cognitive-behavioral case formulations in the treatment of religious individuals. © 2011 Wiley Periodicals, Inc.

  18. Modelling toluene oxidation : Incorporation of mass transfer phenomena

    Hoorn, J.A.A.; van Soolingen, J.; Versteeg, G. F.

    The kinetics of the oxidation of toluene have been studied in close interaction with the gas-liquid mass transfer occurring in the reactor. Kinetic parameters for a simple model have been estimated on basis of experimental observations performed under industrial conditions. The conclusions for the

  19. Incorporating pion effects into the naive quark model

    Nogami, Y.; Ohtuska, N.

    1982-01-01

    A hybrid of the naive nonrelativistic quark model and the Chew-Low model is proposed. The pion is treated as an elementary particle which interacts with the ''bare baryon'' or ''baryon core'' via the Chew-Low interaction. The baryon core, which is the source of the pion interaction, is described by the naive nonrelativistic quark model. It turns out that the baryon-core radius has to be as large as 0.8 fm, and consequently the cutoff momentum Λ for the pion interaction is < or approx. =3m/sub π/, m/sub π/ being the pion mass. Because of this small Λ (as compared with Λapprox. nucleon mass in the old Chew-Low model) the effects of the pion cloud are strongly suppressed. The baryon masses, baryon magnetic moments, and the nucleon charge radii can be reproduced quite well. However, we found it singularly difficult to fit the axial-vector weak decay constant g/sub A/

  20. Do Knowledge-Component Models Need to Incorporate Representational Competencies?

    Rau, Martina Angela

    2017-01-01

    Traditional knowledge-component models describe students' content knowledge (e.g., their ability to carry out problem-solving procedures or their ability to reason about a concept). In many STEM domains, instruction uses multiple visual representations such as graphs, figures, and diagrams. The use of visual representations implies a…

  1. Making Invasion models useful for decision makers; incorporating uncertainty, knowledge gaps, and decision-making preferences

    Denys Yemshanov; Frank H Koch; Mark Ducey

    2015-01-01

    Uncertainty is inherent in model-based forecasts of ecological invasions. In this chapter, we explore how the perceptions of that uncertainty can be incorporated into the pest risk assessment process. Uncertainty changes a decision maker’s perceptions of risk; therefore, the direct incorporation of uncertainty may provide a more appropriate depiction of risk. Our...

  2. Workforce scheduling: A new model incorporating human factors

    Mohammed Othman

    2012-12-01

    Full Text Available Purpose: The majority of a company’s improvement comes when the right workers with the right skills, behaviors and capacities are deployed appropriately throughout a company. This paper considers a workforce scheduling model including human aspects such as skills, training, workers’ personalities, workers’ breaks and workers’ fatigue and recovery levels. This model helps to minimize the hiring, firing, training and overtime costs, minimize the number of fired workers with high performance, minimize the break time and minimize the average worker’s fatigue level.Design/methodology/approach: To achieve this objective, a multi objective mixed integer programming model is developed to determine the amount of hiring, firing, training and overtime for each worker type.Findings: The results indicate that the worker differences should be considered in workforce scheduling to generate realistic plans with minimum costs. This paper also investigates the effects of human fatigue and recovery on the performance of the production systems.Research limitations/implications: In this research, there are some assumptions that might affect the accuracy of the model such as the assumption of certainty of the demand in each period, and the linearity function of Fatigue accumulation and recovery curves. These assumptions can be relaxed in future work.Originality/value: In this research, a new model for integrating workers’ differences with workforce scheduling is proposed. To the authors' knowledge, it is the first time to study the effects of different important human factors such as human personality, skills and fatigue and recovery in the workforce scheduling process. This research shows that considering both technical and human factors together can reduce the costs in manufacturing systems and ensure the safety of the workers.

  3. Incorporating grassland management in a global vegetation model

    Chang, Jinfeng; Viovy, Nicolas; Vuichard, Nicolas; Ciais, Philippe; Wang, Tao; Cozic, Anne; Lardy, Romain; Graux, Anne-Isabelle; Klumpp, Katja; Martin, Raphael; Soussana, Jean-François

    2013-04-01

    Grassland is a widespread vegetation type, covering nearly one-fifth of the world's land surface (24 million km2), and playing a significant role in the global carbon (C) cycle. Most of grasslands in Europe are cultivated to feed animals, either directly by grazing or indirectly by grass harvest (cutting). A better understanding of the C fluxes from grassland ecosystems in response to climate and management requires not only field experiments but also the aid of simulation models. ORCHIDEE process-based ecosystem model designed for large-scale applications treats grasslands as being unmanaged, where C / water fluxes are only subject to atmospheric CO2 and climate changes. Our study describes how management of grasslands is included in the ORCHIDEE, and how management affects modeled grassland-atmosphere CO2 fluxes. The new model, ORCHIDEE-GM (Grassland Management) is capable with a management module inspired from a grassland model (PaSim, version 5.0), of accounting for two grassland management practices (cutting and grazing). The evaluation of the results of ORCHIDEE-GM compared with those of ORCHIDEE at 11 European sites equipped with eddy covariance and biometric measurements, show that ORCHIDEE-GM can capture realistically the cut-induced seasonal variation in biometric variables (LAI: Leaf Area Index; AGB: Aboveground Biomass) and in CO2 fluxes (GPP: Gross Primary Productivity; TER: Total Ecosystem Respiration; and NEE: Net Ecosystem Exchange). But improvements at grazing sites are only marginal in ORCHIDEE-GM, which relates to the difficulty in accounting for continuous grazing disturbance and its induced complex animal-vegetation interactions. Both NEE and GPP on monthly to annual timescales can be better simulated in ORCHIDEE-GM than in ORCHIDEE without management. At some sites, the model-observation misfit in ORCHIDEE-GM is found to be more related to ill-constrained parameter values than to model structure. Additionally, ORCHIDEE-GM is able to simulate

  4. Incorporating Satellite Time-Series Data into Modeling

    Gregg, Watson

    2008-01-01

    In situ time series observations have provided a multi-decadal view of long-term changes in ocean biology. These observations are sufficiently reliable to enable discernment of even relatively small changes, and provide continuous information on a host of variables. Their key drawback is their limited domain. Satellite observations from ocean color sensors do not suffer the drawback of domain, and simultaneously view the global oceans. This attribute lends credence to their use in global and regional model validation and data assimilation. We focus on these applications using the NASA Ocean Biogeochemical Model. The enhancement of the satellite data using data assimilation is featured and the limitation of tongterm satellite data sets is also discussed.

  5. Incorporating Contagion in Portfolio Credit Risk Models Using Network Theory

    Ioannis Anagnostou

    2018-01-01

    Full Text Available Portfolio credit risk models estimate the range of potential losses due to defaults or deteriorations in credit quality. Most of these models perceive default correlation as fully captured by the dependence on a set of common underlying risk factors. In light of empirical evidence, the ability of such a conditional independence framework to accommodate for the occasional default clustering has been questioned repeatedly. Thus, financial institutions have relied on stressed correlations or alternative copulas with more extreme tail dependence. In this paper, we propose a different remedy—augmenting systematic risk factors with a contagious default mechanism which affects the entire universe of credits. We construct credit stress propagation networks and calibrate contagion parameters for infectious defaults. The resulting framework is implemented on synthetic test portfolios wherein the contagion effect is shown to have a significant impact on the tails of the loss distributions.

  6. Incorporation of intraocular scattering in schematic eye models

    Navarro, R.

    1985-01-01

    Beckmann's theory of scattering from rough surfaces is applied to obtain, from the experimental veiling glare functions, a diffuser that when placed at the pupil plane would produce the same scattering halo as the ocular media. This equivalent diffuser is introduced in a schematic eye model, and its influence on the point-spread function and the modulation-transfer function of the eye is analyzed

  7. Constitutive modeling of coronary artery bypass graft with incorporated torsion

    Horný, L.; Chlup, Hynek; Žitný, R.; Adámek, T.

    2009-01-01

    Roč. 49, č. 2 (2009), s. 273-277 ISSN 0543-5846 R&D Projects: GA ČR(CZ) GA106/08/0557 Institutional research plan: CEZ:AV0Z20760514 Keywords : coronary artery bypass graft * constitutive model * digital image correlation Subject RIV: BJ - Thermodynamics Impact factor: 0.439, year: 2009 http://web.tuke.sk/sjf-kamam/mmams2009/contents.pdf

  8. Incorporation of ice sheet models into an Earth system model: Focus on methodology of coupling

    Rybak, Oleg; Volodin, Evgeny; Morozova, Polina; Nevecherja, Artiom

    2018-03-01

    Elaboration of a modern Earth system model (ESM) requires incorporation of ice sheet dynamics. Coupling of an ice sheet model (ICM) to an AOGCM is complicated by essential differences in spatial and temporal scales of cryospheric, atmospheric and oceanic components. To overcome this difficulty, we apply two different approaches for the incorporation of ice sheets into an ESM. Coupling of the Antarctic ice sheet model (AISM) to the AOGCM is accomplished via using procedures of resampling, interpolation and assigning to the AISM grid points annually averaged meanings of air surface temperature and precipitation fields generated by the AOGCM. Surface melting, which takes place mainly on the margins of the Antarctic peninsula and on ice shelves fringing the continent, is currently ignored. AISM returns anomalies of surface topography back to the AOGCM. To couple the Greenland ice sheet model (GrISM) to the AOGCM, we use a simple buffer energy- and water-balance model (EWBM-G) to account for orographically-driven precipitation and other sub-grid AOGCM-generated quantities. The output of the EWBM-G consists of surface mass balance and air surface temperature to force the GrISM, and freshwater run-off to force thermohaline circulation in the oceanic block of the AOGCM. Because of a rather complex coupling procedure of GrIS compared to AIS, the paper mostly focuses on Greenland.

  9. Electronic and Magnetic Properties of Transition-Metal Oxide Nanocomposites: A Tight-Binding Modeling at Mesoscale

    Tai, Yuan-Yen; Zhu, Jian-Xin

    Transition metal oxides (TMOs) exhibit many emergent phenomena ranging from high-temperature superconductivity and giant magnetoresistance to magnetism and ferroelectricity. In addition, when TMOs are interfaced with each other, new functionalities can arise, which are absent in individual components. In this talk, I will present an overview on our recent efforts in theoretical understanding of the electronic and magnetic properties TMO nanocomposites. In particular, I will introduce our recently developed tight-binding modeling of these properties arising from the interplay of competing interactions at the interfaces of planar and pillar nanocomposites. Our theoretical tool package will provide a unique capability to address the emergent phenomena in TMO nanocomposites and their mesoscale response to such effects like strain and microstructures at the interfaces, and ultimately help establish design principles of new multifunctionality with TMOs. This work was carried out under the auspices of the National Nuclear Security Administration of the U.S. Department of Energy at LANL under Contract No. DE-AC52-06NA25396, and was supported by the LANL LDRD Program.

  10. Rapid-prototyped PLGA/β-TCP/hydroxyapatite nanocomposite scaffolds in a rabbit femoral defect model

    Kim, Jinku; McBride, Sean; Alvarez-Urena, Pedro; Song, Young-Hye; Hollinger, Jeffrey O; Tellis, Brandi; Dean, David D; Sylvia, Victor L; Elgendy, Hoda; Ong, Joo

    2012-01-01

    Bone tissue engineering scaffolds composed of poly(d,l-lactide:glycolide) (DL-PLGA) and β-tricalcium phosphate (β-TCP) nanocomposites were prepared and characterized. Scaffolds with two specific architectures were produced via fused deposition modeling (FDM), a type of extrusion freeform fabrication. Microfilaments deposited at angles of 0° and 90° were designated as the ‘simple’ scaffold architecture, while those deposited at angles alternating between 0°, 90°, 45° and −45° were designated as the ‘complex’ scaffold architecture. In addition, the simple and complex scaffolds were coated with hydroxyapatite (HA). The surface morphology of the scaffolds was assessed before and after HA coating and uniform distribution of HA coating on the surface was observed by scanning electron microscopy. The scaffolds were implanted into rabbit femoral unicortical bone defects according to four treatment groups based on pore structure and HA coating. After 6 and 12 weeks, scaffolds and host bone were recovered and processed for histology. Data suggest that all configurations of the scaffolds integrated with the host bone and were biocompatible and thus may offer an exciting new scaffold platform for delivery of biologicals for bone regeneration. (paper)

  11. Fumed Silica Nanoparticles Incorporated in Quaternized Poly(Vinyl Alcohol Nanocomposite Membrane for Enhanced Power Densities in Direct Alcohol Alkaline Fuel Cells

    Selvaraj Rajesh Kumar

    2015-12-01

    Full Text Available A nanocomposite polymer membrane based on quaternized poly(vinyl alcohol/fumed silica (QPVA/FS was prepared via a quaternization process and solution casting method. The physico-chemical properties of the QPVA/FS membrane were investigated. Its high ionic conductivity was found to depend greatly on the concentration of fumed silica in the QPVA matrix. A maximum conductivity of 3.50 × 10−2 S/cm was obtained for QPVA/5%FS at 60 °C when it was doped with 6 M KOH. The permeabilities of methanol and ethanol were reduced with increasing fumed silica content. Cell voltage and peak power density were analyzed as functions of fumed silica concentration, temperature, methanol and ethanol concentrations. A maximum power density of 96.8 mW/cm2 was achieved with QPVA/5%FS electrolyte using 2 M methanol + 6 M KOH as fuel at 80 °C. A peak power density of 79 mW/cm2 was obtained using the QPVA/5%FS electrolyte with 3 M ethanol + 5 M KOH as fuel. The resulting peak power densities are higher than the majority of published reports. The results confirm that QPVA/FS exhibits promise as a future polymeric electrolyte for use in direct alkaline alcoholic fuel cells.

  12. Models of microbiome evolution incorporating host and microbial selection.

    Zeng, Qinglong; Wu, Steven; Sukumaran, Jeet; Rodrigo, Allen

    2017-09-25

    Numerous empirical studies suggest that hosts and microbes exert reciprocal selective effects on their ecological partners. Nonetheless, we still lack an explicit framework to model the dynamics of both hosts and microbes under selection. In a previous study, we developed an agent-based forward-time computational framework to simulate the neutral evolution of host-associated microbial communities in a constant-sized, unstructured population of hosts. These neutral models allowed offspring to sample microbes randomly from parents and/or from the environment. Additionally, the environmental pool of available microbes was constituted by fixed and persistent microbial OTUs and by contributions from host individuals in the preceding generation. In this paper, we extend our neutral models to allow selection to operate on both hosts and microbes. We do this by constructing a phenome for each microbial OTU consisting of a sample of traits that influence host and microbial fitnesses independently. Microbial traits can influence the fitness of hosts ("host selection") and the fitness of microbes ("trait-mediated microbial selection"). Additionally, the fitness effects of traits on microbes can be modified by their hosts ("host-mediated microbial selection"). We simulate the effects of these three types of selection, individually or in combination, on microbiome diversities and the fitnesses of hosts and microbes over several thousand generations of hosts. We show that microbiome diversity is strongly influenced by selection acting on microbes. Selection acting on hosts only influences microbiome diversity when there is near-complete direct or indirect parental contribution to the microbiomes of offspring. Unsurprisingly, microbial fitness increases under microbial selection. Interestingly, when host selection operates, host fitness only increases under two conditions: (1) when there is a strong parental contribution to microbial communities or (2) in the absence of a strong

  13. Design Protocols and Analytical Strategies that Incorporate Structural Reliability Models

    Duffy, Stephen F.

    1997-01-01

    Ceramic matrix composites (CMC) and intermetallic materials (e.g., single crystal nickel aluminide) are high performance materials that exhibit attractive mechanical, thermal and chemical properties. These materials are critically important in advancing certain performance aspects of gas turbine engines. From an aerospace engineer's perspective the new generation of ceramic composites and intermetallics offers a significant potential for raising the thrust/weight ratio and reducing NO(x) emissions of gas turbine engines. These aspects have increased interest in utilizing these materials in the hot sections of turbine engines. However, as these materials evolve and their performance characteristics improve a persistent need exists for state-of-the-art analytical methods that predict the response of components fabricated from CMC and intermetallic material systems. This need provided the motivation for the technology developed under this research effort. Continuous ceramic fiber composites exhibit an increase in work of fracture, which allows for "graceful" rather than catastrophic failure. When loaded in the fiber direction, these composites retain substantial strength capacity beyond the initiation of transverse matrix cracking despite the fact that neither of its constituents would exhibit such behavior if tested alone. As additional load is applied beyond first matrix cracking, the matrix tends to break in a series of cracks bridged by the ceramic fibers. Any additional load is born increasingly by the fibers until the ultimate strength of the composite is reached. Thus modeling efforts supported under this research effort have focused on predicting this sort of behavior. For single crystal intermetallics the issues that motivated the technology development involved questions relating to material behavior and component design. Thus the research effort supported by this grant had to determine the statistical nature and source of fracture in a high strength, Ni

  14. Incorporation particle creation and annihilation into Bohm's Pilot Wave model

    Sverdlov, Roman [Raman Research Institute, C.V. Raman Avenue, Sadashiva Nagar, Bangalore, Karnataka, 560080 (India)

    2011-07-08

    The purpose of this paper is to come up with a Pilot Wave model of quantum field theory that incorporates particle creation and annihilation without sacrificing determinism; this theory is subsequently coupled with gravity.

  15. INCORPORATION OF MECHANISTIC INFORMATION IN THE ARSENIC PBPK MODEL DEVELOPMENT PROCESS

    INCORPORATING MECHANISTIC INSIGHTS IN A PBPK MODEL FOR ARSENICElaina M. Kenyon, Michael F. Hughes, Marina V. Evans, David J. Thomas, U.S. EPA; Miroslav Styblo, University of North Carolina; Michael Easterling, Analytical Sciences, Inc.A physiologically based phar...

  16. In situ SU-8 silver nanocomposites

    Fischer, Søren Vang; Uthuppu, Basil; Jakobsen, Mogens Havsteen

    2015-01-01

    Nanocomposite materials containing metal nanoparticles are of considerable interest in photonics and optoelectronics applications. However, device fabrication of such materials always encounters the challenge of incorporation of preformed nanoparticles into photoresist materials. As a solution to...

  17. Polyacrolein/mesoporous silica nanocomposite: Synthesis, thermal stability and covalent lipase immobilization

    Motevalizadeh, Seyed Farshad; Khoobi, Mehdi; Shabanian, Meisam [Department of Medicinal Chemistry, Faculty of Pharmacy and Pharmaceutical Sciences Research Center, Tehran University of Medical Sciences, Tehran 14176 (Iran, Islamic Republic of); Asadgol, Zahra; Faramarzi, Mohammad Ali [Department of Pharmaceutical Biotechnology, Faculty of Pharmacy and Biotechnology Research Center, Tehran University of Medical Sciences, P.O. Box 14155-6451, Tehran 14176 (Iran, Islamic Republic of); Shafiee, Abbas, E-mail: ashafiee@ams.ac.ir [Department of Medicinal Chemistry, Faculty of Pharmacy and Pharmaceutical Sciences Research Center, Tehran University of Medical Sciences, Tehran 14176 (Iran, Islamic Republic of); Center of Excellence in Biothermodynamics, University of Tehran, Tehran (Iran, Islamic Republic of)

    2013-12-16

    In this work, new polyacrolein/MCM-41 nanocomposites with good phase mixing behavior were prepared through an emulsion polymerization technique. Mesoporous silica was synthesized by in situ assembly of tetraethyl orthosilicate (TEOS) and cetyl trimethyl ammonium bromide (CTAB). The structure and properties of polyacrolein containing nanosized MCM-41 particle (5 and 10 wt%), were investigated by Fourier transform infrared spectroscopy (FTIR), X-ray diffraction, Dynamic light scattering (DLS), scanning electron microscopy (SEM), transmission electron microscopy (TEM), N{sub 2} adsorption techniques, and thermogravimetric (TGA) analyses. The SEM images from the final powder have revealed good dispersion of the MCM-41 nanoparticles throughout polymeric matrix with no distinct voids between two phases. The results indicated that the thermal properties of the nanocomposite were enhanced by addition of MCM-41. Thermomyces lanuginosa lipase (TLL) was used as a model biocatalyst and successfully immobilized with polyacrolein and the nanocomposite via covalent bonds with the aldehyde groups. The activity between free enzyme, polyacrolein, and MCM-41 nanocomposite (10 wt%)-immobilized TLL was compared. The immobilized lipase with the nanocomposite shows better operational stability such as pH tolerance, thermal and storage stability. In addition, the immobilized lipase with the nanocomposite can be easily recovered and retained at 74% of its initial activity after 15 time reuses. - Graphical abstract: The influence of incorporation of mesoporous MCM-41 nanoparticle with polyacrolein on the thermal properties and enzyme immobilization was investigated. - Highlights: • Polyacrolein/MCM-41 nanocomposites were prepared by emulsion polymerization method. • Thermal stability and char residues in nanocomposites were improved. • Nanocomposites significant effects on immobilization of lipase.

  18. High-Strain Rate Failure Modeling Incorporating Shear Banding and Fracture

    2017-11-22

    High Strain Rate Failure Modeling Incorporating Shear Banding and Fracture The views, opinions and/or findings contained in this report are those of...SECURITY CLASSIFICATION OF: 1. REPORT DATE (DD-MM-YYYY) 4. TITLE AND SUBTITLE 13. SUPPLEMENTARY NOTES 12. DISTRIBUTION AVAILIBILITY STATEMENT 6. AUTHORS...Report as of 05-Dec-2017 Agreement Number: W911NF-13-1-0238 Organization: Columbia University Title: High Strain Rate Failure Modeling Incorporating

  19. Incorporating the life course model into MCH nutrition leadership education and training programs.

    Haughton, Betsy; Eppig, Kristen; Looney, Shannon M; Cunningham-Sabo, Leslie; Spear, Bonnie A; Spence, Marsha; Stang, Jamie S

    2013-01-01

    Life course perspective, social determinants of health, and health equity have been combined into one comprehensive model, the life course model (LCM), for strategic planning by US Health Resources and Services Administration's Maternal and Child Health Bureau. The purpose of this project was to describe a faculty development process; identify strategies for incorporation of the LCM into nutrition leadership education and training at the graduate and professional levels; and suggest broader implications for training, research, and practice. Nineteen representatives from 6 MCHB-funded nutrition leadership education and training programs and 10 federal partners participated in a one-day session that began with an overview of the models and concluded with guided small group discussions on how to incorporate them into maternal and child health (MCH) leadership training using obesity as an example. Written notes from group discussions were compiled and coded emergently. Content analysis determined the most salient themes about incorporating the models into training. Four major LCM-related themes emerged, three of which were about training: (1) incorporation by training grants through LCM-framed coursework and experiences for trainees, and similarly framed continuing education and skills development for professionals; (2) incorporation through collaboration with other training programs and state and community partners, and through advocacy; and (3) incorporation by others at the federal and local levels through policy, political, and prevention efforts. The fourth theme focused on anticipated challenges of incorporating the model in training. Multiple methods for incorporating the LCM into MCH training and practice are warranted. Challenges to incorporating include the need for research and related policy development.

  20. Structure and properties of carbon nanotubes/sol-gel nanocomposites

    Pokrass, Mariana

    2013-08-01

    electrical properties; nanocomposites based on CSG were studied for the influence of the CNT concentration on the material porosity. We have demonstrated that incorporation of multi-walled carbon nanotubes (MWNTs) into the hybrid glasses at very low concentrations (0.02 wt.%) generates new nonlinear optical phenomena while maintaining practical transparency (∼50%). A strong "bleaching" effect was recorded when MWNT/FSG glasses were irradiated with high intensity - 1 ns-long pulses at 1064 nm. This nonlinear phenomenon is attributed to saturated absorption of the MWNTs, and is analyzed using a three-level energy scheme model.

  1. Developing Baltic cod recruitment models II : Incorporation of environmental variability and species interaction

    Köster, Fritz; Hinrichsen, H.H.; St. John, Michael

    2001-01-01

    We investigate whether a process-oriented approach based on the results of field, laboratory, and modelling studies can be used to develop a stock-environment-recruitment model for Central Baltic cod (Gadus morhua). Based on exploratory statistical analysis, significant variables influencing...... cod in these areas, suggesting that key biotic and abiotic processes can be successfully incorporated into recruitment models....... survival of early life stages and varying systematically among spawning sites were incorporated into stock-recruitment models, first for major cod spawning sites and then combined for the entire Central Baltic. Variables identified included potential egg production by the spawning stock, abiotic conditions...

  2. Polymer Nanocomposites

    methods for the synthesis of polymer nanocomposites. In this article we .... ers, raw materials recovery, drug delivery and anticorrosion .... region giving rise to dose-packed absorption bands called an IR ... using quaternary ammonium salts.

  3. Nanocomposites for Machining Tools

    Daria Sidorenko

    2017-10-01

    Full Text Available Machining tools are used in many areas of production. To a considerable extent, the performance characteristics of the tools determine the quality and cost of obtained products. The main materials used for producing machining tools are steel, cemented carbides, ceramics and superhard materials. A promising way to improve the performance characteristics of these materials is to design new nanocomposites based on them. The application of micromechanical modeling during the elaboration of composite materials for machining tools can reduce the financial and time costs for development of new tools, with enhanced performance. This article reviews the main groups of nanocomposites for machining tools and their performance.

  4. Incorporation of the capillary hysteresis model HYSTR into the numerical code TOUGH

    Niemi, A.; Bodvarsson, G.S.; Pruess, K.

    1991-11-01

    As part of the work performed to model flow in the unsaturated zone at Yucca Mountain Nevada, a capillary hysteresis model has been developed. The computer program HYSTR has been developed to compute the hysteretic capillary pressure -- liquid saturation relationship through interpolation of tabulated data. The code can be easily incorporated into any numerical unsaturated flow simulator. A complete description of HYSTR, including a brief summary of the previous hysteresis literature, detailed description of the program, and instructions for its incorporation into a numerical simulator are given in the HYSTR user's manual (Niemi and Bodvarsson, 1991a). This report describes the incorporation of HYSTR into the numerical code TOUGH (Transport of Unsaturated Groundwater and Heat; Pruess, 1986). The changes made and procedures for the use of TOUGH for hysteresis modeling are documented

  5. Magnetoelectric Nanocomposites for Flexible Electronics

    Al-Nassar, Mohammed Y.

    2015-09-01

    Flexibility, low cost, versatility, miniaturization and multi-functionality are key aspects driving research and innovation in many branches of the electronics industry. With many anticipated emerging applications, like wearable, transparent and biocompatible devices, interest among the research community in pursuit for novel multifunctional miniaturized materials have been amplified. In this context, multiferroic polymer-based nanocomposites, possessing both ferroelectricity and ferromagnetism, are highly appealing. Most importantly, these nanocomposites possess tunable ferroelectric and ferromagnetic properties based on the parameters of their constituent materials as well as the magnetoelectric effect, which is the coupling between electric and magnetic properties. This tunability and interaction is a fascinating fundamental research field promising tremendous potential applications in sensors, actuators, data storage and energy harvesting. This dissertation work is devoted to the investigation of a new class of multiferroic polymer-based flexible nanocomposites, which exhibits excellent ferromagnetism and ferroelectricity simultaneously at room temperature, with the goal of understanding and optimizing the origin of their magnetoelectric coupling. The nanocomposites consist of high aspect ratio ferromagnetic nanowires (NWs) embedded inside a ferroelectric co-polymer, poly(vinylindene fluoride-trifluoroethylene), P(VDF-TrFE) matrix. First, electrochemical deposition of ferromagnetic NWs inside anodic aluminum oxide membranes is discussed. Characterization of electrodeposited iron, nickel and highly magnetostrictive iron-gallium alloy NWs was done using XRD, electron and magnetic force microscopy. Second, different nanocomposite films have been fabricated by means of spin coating and drop casting techniques. The effect of incorporation of NWs inside the ferroelectric polymer on its electroactive phase is discussed. The remanent and saturation polarization as well

  6. Simulation of Forest Carbon Fluxes Using Model Incorporation and Data Assimilation

    Min Yan; Xin Tian; Zengyuan Li; Erxue Chen; Xufeng Wang; Zongtao Han; Hong Sun

    2016-01-01

    This study improved simulation of forest carbon fluxes in the Changbai Mountains with a process-based model (Biome-BGC) using incorporation and data assimilation. Firstly, the original remote sensing-based MODIS MOD_17 GPP (MOD_17) model was optimized using refined input data and biome-specific parameters. The key ecophysiological parameters of the Biome-BGC model were determined through the Extended Fourier Amplitude Sensitivity Test (EFAST) sensitivity analysis. Then the optimized MOD_17 mo...

  7. Parylene nanocomposites using modified magnetic nanoparticles

    Garcia, Ignacio; Luzuriaga, A. Ruiz de; Grande, H.; Jeandupeux, L.; Charmet, J.; Laux, E.; Keppner, H.; Mecerreyes, D.; Cabanero, German

    2010-01-01

    Parylene/Fe 3 O 4 nanocomposites were synthesized and characterized. The nanocomposites were obtained by chemical vapour deposition polymerization of Parylene onto functionalized Fe 3 O 4 nanoparticles. For this purpose, allyltrichlorosilane was used to modify the surface of 7 nm size Fe 3 O 4 nanoparticles obtained by the coprecipitation method. The magnetic nanoparticles and obtained nanocomposite were characterized with X-ray diffraction (XRD), infrared spectroscopy (FTIR), thermal gravimetric analysis (TGA) and magnetic measurements (SQUID). The successful incorporation of different amounts of nanoparticles into Parylene was confirmed by FTIR and TGA. Interestingly, increments in saturation magnetization of the nanocomposites were observed ranging from 0 emu/g of neat Parylene to 16.94 emu/g in the case of nanocomposite films that contained 27.5 wt% of nanoparticles.

  8. Fabrication and properties of multiferroic nanocomposite films

    Al-Nassar, Mohammed Y.; Ivanov, Yurii P.; Kosel, Jü rgen

    2015-01-01

    A new type of multiferroic polymer nanocomposite is presented, which exhibits excellent ferromagnetism and ferroelectricity simultaneously at room temperature. The multiferroic nanocomposite consists of a ferroelectric copolymer poly(vinylindene fluoride-trifluoroethylene) [P(VDF-TrFE)] and high aspect ratio ferromagnetic nickel (Ni) nanowires (NWs), which were grown inside anodic aluminum oxide membranes. The fabrication of nanocomposite films with Ni NWs embedded in P(VDF-TrFE) has been successfully carried out via a simple low-temperature spin-coating technique. Structural, ferromagnetic, and ferroelectric properties of the developed nanocomposite have been investigated. The remanent and saturation polarization as well as the coercive field of the ferroelectric phase are slightly affected by the incorporation of the NWs as well as the thickness of the films. While the former two decrease, the last increases by adding the NWs or increasing the thickness. The ferromagnetic properties of the nanocomposite films are found to be isotropic.

  9. Bioactive nanocomposite for chest-wall replacement: Cellular response in a murine model.

    Jungraithmayr, Wolfgang; Laube, Isabelle; Hild, Nora; Stark, Wendelin J; Mihic-Probst, Daniela; Weder, Walter; Buschmann, Johanna

    2014-07-01

    Chest-wall invading malignancies usually necessitate the resection of the respective part of the thoracic wall. Gore-Tex® is the material of choice that is traditionally used to repair thoracic defects. This material is well accepted by the recipient; however, though not rejected, it is an inert material and behaves like a 'foreign body' within the thoracic wall. By contrast, there are materials that have the potential to physiologically integrate into the host, and these materials are currently under in vitro and also in vivo investigation. These materials offer a gradual but complete biodegradation over time, and severe adverse inflammatory responses can be avoided. Here, we present a novel material that is a biodegradable nanocomposite based on poly-lactic-co-glycolic acid and amorphous calcium phosphate nanoparticles in comparison to the traditionally employed Gore-Tex® being the standard for chest-wall replacement. On a mouse model of thoracic wall resection, that resembles the technique and localization applied in humans, poly-lactic-co-glycolic acid and amorphous calcium phosphate nanoparticles and Gore-Tex® were implanted subcutaneously and additionally tested in a separate series as a chest-wall graft. After 1, 2, 4 and 8 weeks cell infiltration into the respective materials, inflammatory reactions as well as neo-vascularization (endothelial cells) were determined in six different zones. While Gore-Tex® allowed for cell infiltration only at the outer surface, electrospun poly-lactic-co-glycolic acid and amorphous calcium phosphate nanoparticles were completely penetrated by infiltrating cells. These cells were composed mainly by macrophages, with only 4% of giant cells and lymphocytes. Total macrophage count increased by time while the number of IL1-β-expressing macrophages decreased, indicating a protective state towards the graft. As such, poly-lactic-co-glycolic acid and amorphous calcium phosphate nanoparticles seem to develop ideal

  10. Modelling of the thermal conductivity in polymer nanocomposites and the impact of the interface between filler and matrix

    Kochetov, R; Andritsch, T; Morshuis, P H F; Smit, J J; Korobko, A V; Picken, S J

    2011-01-01

    In this paper the thermal conductivity of epoxy-based composite materials is analysed. Two- and three-phase Lewis-Nielsen models are proposed for fitting the experimental values of the thermal conductivity of epoxy-based polymer composites. Various inorganic nano- and micro- particles were used, namely aluminium oxide, aluminium nitride, magnesium oxide and silicon dioxide with average particle size between 20 nm and 20 μm. It is shown that the filler-matrix interface plays a dominant role in the thermal conduction process of the nanocomposites. The two-phase model was proposed as an initial step for describing systems containing 2 constituents, i.e. an epoxy matrix and an inorganic filler. The three-phase model was introduced to specifically address the properties of the interfacial zone between the host polymer and the surface modified nanoparticles.

  11. Incorporation of composite defects from ultrasonic NDE into CAD and FE models

    Bingol, Onur Rauf; Schiefelbein, Bryan; Grandin, Robert J.; Holland, Stephen D.; Krishnamurthy, Adarsh

    2017-02-01

    Fiber-reinforced composites are widely used in aerospace industry due to their combined properties of high strength and low weight. However, owing to their complex structure, it is difficult to assess the impact of manufacturing defects and service damage on their residual life. While, ultrasonic testing (UT) is the preferred NDE method to identify the presence of defects in composites, there are no reasonable ways to model the damage and evaluate the structural integrity of composites. We have developed an automated framework to incorporate flaws and known composite damage automatically into a finite element analysis (FEA) model of composites, ultimately aiding in accessing the residual life of composites and make informed decisions regarding repairs. The framework can be used to generate a layer-by-layer 3D structural CAD model of the composite laminates replicating their manufacturing process. Outlines of structural defects, such as delaminations, are automatically detected from UT of the laminate and are incorporated into the CAD model between the appropriate layers. In addition, the framework allows for direct structural analysis of the resulting 3D CAD models with defects by automatically applying the appropriate boundary conditions. In this paper, we show a working proof-of-concept for the composite model builder with capabilities of incorporating delaminations between laminate layers and automatically preparing the CAD model for structural analysis using a FEA software.

  12. Incorporating Social Anxiety Into a Model of College Problem Drinking: Replication and Extension

    Ham, Lindsay S.; Hope, Debra A.

    2006-01-01

    Although research has found an association between social anxiety and alcohol use in noncollege samples, results have been mixed for college samples. College students face many novel social situations in which they may drink to reduce social anxiety. In the current study, the authors tested a model of college problem drinking, incorporating social anxiety and related psychosocial variables among 228 undergraduate volunteers. According to structural equation modeling (SEM) results, social anxi...

  13. PWR plant operator training used full scope simulator incorporated MAAP model

    Matsumoto, Y.; Tabuchi, T.; Yamashita, T.; Komatsu, Y.; Tsubouchi, K.; Banka, T.; Mochizuki, T.; Nishimura, K.; Iizuka, H.

    2015-01-01

    NTC makes an effort with the understanding of plant behavior of core damage accident as part of our advanced training. For the Fukushima Daiichi Nuclear Power Station accident, we introduced the MAAP model into PWR operator training full scope simulator and also made the Severe Accident Visual Display unit. From 2014, we will introduce new training program for a core damage accident with PWR operator training full scope simulator incorporated the MAAP model and the Severe Accident Visual Display unit. (author)

  14. INCORPORATING MULTIPLE OBJECTIVES IN PLANNING MODELS OF LOW-RESOURCE FARMERS

    Flinn, John C.; Jayasuriya, Sisira; Knight, C. Gregory

    1980-01-01

    Linear goal programming provides a means of formally incorporating the multiple goals of a household into the analysis of farming systems. Using this approach, the set of plans which come as close as possible to achieving a set of desired goals under conditions of land and cash scarcity are derived for a Filipino tenant farmer. A challenge in making LGP models empirically operational is the accurate definition of the goals of the farm household being modelled.

  15. A novel model of photothermal diffusion (PTD) for polymer nano-composite semiconducting of thin circular plate

    Lotfy, Kh.

    2018-05-01

    In this article, theoretical discussions for a novel mathematical-physical Photothermal diffusion (PTD) model in the generalized thermoelasticity theory with photothermal processes and chemical action are introduced. The mean idea of this model depends on the interaction between quasi-particles (plasma waves) that depends on the kind of the used materials, the mechanical forces acting on the surface, the generalized thermo and mass diffusion (due to coupling of temperature fields with thermal waves and chemical potential) and the elastic waves. The one dimensional Laplace transforms is used to obtain the exact solution for some physical and chemical quantities for a thin circular plate of a semiconducting polymer nanocomposite such as silicon (Si). New variables are deduced and discussed. The obtained results of the physical quantities are presented analytically and illustrated graphically with some important applications.

  16. Metal Nanocomposites

    Fischer, Søren Vang; Uthuppu, Basil; Jakobsen, Mogens Havsteen

    2014-01-01

    We have made SU-8 gold nanoparticle composites in two ways, ex situ and in situ, and found that in both methods nanoparticles embedded in the polymer retained their plasmonic properties. The in situ method has also been used to fabricate a silver nanocomposite which is electrically conductive. Th...

  17. clay nanocomposites

    The present work deals with the synthesis of specialty elastomer [fluoroelastomer and poly (styrene--ethylene-co-butylene--styrene (SEBS)]–clay nanocomposites and their structure–property relationship as elucidated from morphology studies by atomic force microscopy, transmission electron microscopy and X-ray ...

  18. Silver release from nanocomposite Ag/alginate hydrogels in the presence of chloride ions: experimental results and mathematical modeling

    Kostic, Danijela, E-mail: dkostic@tmf.bg.ac.rs [Innovation Center of the Faculty of Technology and Metallurgy (Serbia); Vidovic, Srđan, E-mail: srdjanhi@gmail.com; Obradovic, Bojana, E-mail: bojana@tmf.bg.ac.rs [University of Belgrade, Faculty of Technology and Metallurgy (Serbia)

    2016-03-15

    A stepwise experimental and mathematical modeling approach was used to assess silver release from nanocomposite Ag/alginate microbeads in wet and dried forms into water and into normal saline solution chosen as a simplified model for certain biological fluids (e.g., blood plasma, wound exudates, sweat, etc). Three phenomena were connected and mathematically described: diffusion of silver nanoparticles (AgNPs) within the alginate hydrogel, AgNP oxidation/dissolution and reaction with chloride ions, and diffusion of the resultant silver-chloride species. Mathematical modeling results agreed well with the experimental data with the AgNP diffusion coefficient estimated as 1.3 × 10{sup −18} m{sup 2} s{sup −1}, while the first-order kinetic rate constant of AgNP oxidation/dissolution and diffusivity of silver-chloride species were shown to be inversely related. In specific, rapid rehydration and swelling of dry Ag/alginate microbeads induced fast AgNP oxidation/dissolution reaction with Cl{sup −} and AgCl precipitation within the microbeads with the lowest diffusivity of silver-chloride species compared to wet microbeads in normal saline. The proposed mathematical model provided an insight into the phenomena related to silver release from nanocomposite Ca-alginate hydrogels relevant for use of antimicrobial devices and established, at the same time, a basis for further in-depth studies of AgNP interactions in hydrogels in the presence of chloride ions.

  19. Biopolymeric nanocomposites with enhanced interphases.

    Yin, Yi; Hu, Kesong; Grant, Anise M; Zhang, Yuhong; Tsukruk, Vladimir V

    2015-10-06

    Ultrathin and robust nanocomposite membranes were fabricated by incorporating graphene oxide (GO) sheets into a silk fibroin (SF) matrix by a dynamic spin-assisted layer-by-layer assembly (dSA-LbL). We observed that in contrast to traditional SA-LbL reported earlier fast solution removal during dropping of solution on constantly spinning substrates resulted in largely unfolded biomacromolecules with enhanced surface interactions and suppressed nanofibril formation. The resulting laminated nanocomposites possess outstanding mechanical properties, significantly exceeding those previously reported for conventional LbL films with similar composition. The tensile modulus reached extremely high values of 170 GPa, which have never been reported for graphene oxide-based nanocomposites, the ultimate strength was close to 300 MPa, and the toughness was above 3.4 MJ m(-3). The failure modes observed for these membranes suggested the self-reinforcing mechanism of adjacent graphene oxide sheets with strong 2 nm thick silk interphase composed mostly from individual backbones. This interphase reinforcement leads to the effective load transfer between the graphene oxide components in reinforced laminated nanocomposite materials with excellent mechanical strength that surpasses those known today for conventional flexible laminated carbon nanocomposites from graphene oxide and biopolymer components.

  20. A climatological model for risk computations incorporating site- specific dry deposition influences

    Droppo, J.G. Jr.

    1991-07-01

    A gradient-flux dry deposition module was developed for use in a climatological atmospheric transport model, the Multimedia Environmental Pollutant Assessment System (MEPAS). The atmospheric pathway model computes long-term average contaminant air concentration and surface deposition patterns surrounding a potential release site incorporating location-specific dry deposition influences. Gradient-flux formulations are used to incorporate site and regional data in the dry deposition module for this atmospheric sector-average climatological model. Application of these formulations provide an effective means of accounting for local surface roughness in deposition computations. Linkage to a risk computation module resulted in a need for separate regional and specific surface deposition computations. 13 refs., 4 figs., 2 tabs

  1. In silico investigation of the short QT syndrome, using human ventricle models incorporating electromechanical coupling

    Ismail eAdeniran

    2013-07-01

    Full Text Available Introduction Genetic forms of the Short QT Syndrome (SQTS arise due to cardiac ion channel mutations leading to accelerated ventricular repolarisation, arrhythmias and sudden cardiac death. Results from experimental and simulation studies suggest that changes to refractoriness and tissue vulnerability produce a substrate favourable to re-entry. Potential electromechanical consequences of the SQTS are less well understood. The aim of this study was to utilize electromechanically coupled human ventricle models to explore electromechanical consequences of the SQTS. Methods and results: The Rice et al. mechanical model was coupled to the ten Tusscher et al. ventricular cell model. Previously validated K+ channel formulations for SQT variants 1 and 3 were incorporated. Functional effects of the SQTS mutations on transients, sarcomere length shortening and contractile force at the single cell level were evaluated with and without the consideration of stretch activated channel current (Isac. Without Isac, the SQTS mutations produced dramatic reductions in the amplitude of transients, sarcomere length shortening and contractile force. When Isac was incorporated, there was a considerable attenuation of the effects of SQTS-associated action potential shortening on Ca2+ transients, sarcomere shortening and contractile force. Single cell models were then incorporated into 3D human ventricular tissue models. The timing of maximum deformation was delayed in the SQTS setting compared to control. Conclusion: The incorporation of Isac appears to be an important consideration in modelling functional effects of SQT 1 and 3 mutations on cardiac electro-mechanical coupling. Whilst there is little evidence of profoundly impaired cardiac contractile function in SQTS patients, our 3D simulations correlate qualitatively with reported evidence for dissociation between ventricular repolarization and the end of mechanical systole.

  2. Use of MMT and MMT organoclay in production of starch nanocomposites

    Schlemmer, D.; Sales, M.J.A.; Macedo, J.L. de; Angelica, R.S.

    2010-01-01

    Starch can be used to replace petrochemical plastics for short shelf life. However, starch films have poor mechanical strength and sensitivity to moisture. This can be improved through the incorporation of nanoclays, such as montmorillonite, forming nanocomposites. Nanocomposites were prepared with 1, 3, 5 and 10% of montmorillonite, using pequi oil as plasticizer. The clay was also modified with a quaternary ammonium salt. The clays were characterized by XRF, XRD, IR and TG. Results confirmed the organophilization. The nanocomposites diffractograms showed that the addition of small amounts of clay produces delaminated nanocomposites. Already the addition of larger amount of clay does not form nanocomposites, or leads to the formation of intercalated nanocomposites. (author)

  3. Improving Watershed-Scale Hydrodynamic Models by Incorporating Synthetic 3D River Bathymetry Network

    Dey, S.; Saksena, S.; Merwade, V.

    2017-12-01

    Digital Elevation Models (DEMs) have an incomplete representation of river bathymetry, which is critical for simulating river hydrodynamics in flood modeling. Generally, DEMs are augmented with field collected bathymetry data, but such data are available only at individual reaches. Creating a hydrodynamic model covering an entire stream network in the basin requires bathymetry for all streams. This study extends a conceptual bathymetry model, River Channel Morphology Model (RCMM), to estimate the bathymetry for an entire stream network for application in hydrodynamic modeling using a DEM. It is implemented at two large watersheds with different relief and land use characterizations: coastal Guadalupe River basin in Texas with flat terrain and a relatively urban White River basin in Indiana with more relief. After bathymetry incorporation, both watersheds are modeled using HEC-RAS (1D hydraulic model) and Interconnected Pond and Channel Routing (ICPR), a 2-D integrated hydrologic and hydraulic model. A comparison of the streamflow estimated by ICPR at the outlet of the basins indicates that incorporating bathymetry influences streamflow estimates. The inundation maps show that bathymetry has a higher impact on flat terrains of Guadalupe River basin when compared to the White River basin.

  4. Incorporating spatial autocorrelation into species distribution models alters forecasts of climate-mediated range shifts.

    Crase, Beth; Liedloff, Adam; Vesk, Peter A; Fukuda, Yusuke; Wintle, Brendan A

    2014-08-01

    Species distribution models (SDMs) are widely used to forecast changes in the spatial distributions of species and communities in response to climate change. However, spatial autocorrelation (SA) is rarely accounted for in these models, despite its ubiquity in broad-scale ecological data. While spatial autocorrelation in model residuals is known to result in biased parameter estimates and the inflation of type I errors, the influence of unmodeled SA on species' range forecasts is poorly understood. Here we quantify how accounting for SA in SDMs influences the magnitude of range shift forecasts produced by SDMs for multiple climate change scenarios. SDMs were fitted to simulated data with a known autocorrelation structure, and to field observations of three mangrove communities from northern Australia displaying strong spatial autocorrelation. Three modeling approaches were implemented: environment-only models (most frequently applied in species' range forecasts), and two approaches that incorporate SA; autologistic models and residuals autocovariate (RAC) models. Differences in forecasts among modeling approaches and climate scenarios were quantified. While all model predictions at the current time closely matched that of the actual current distribution of the mangrove communities, under the climate change scenarios environment-only models forecast substantially greater range shifts than models incorporating SA. Furthermore, the magnitude of these differences intensified with increasing increments of climate change across the scenarios. When models do not account for SA, forecasts of species' range shifts indicate more extreme impacts of climate change, compared to models that explicitly account for SA. Therefore, where biological or population processes induce substantial autocorrelation in the distribution of organisms, and this is not modeled, model predictions will be inaccurate. These results have global importance for conservation efforts as inaccurate

  5. Nanoindentation of Functionally Graded Polymer Nanocomposites: Assessment of the Strengthening Parameters through Experiments and Modeling

    Tommaso eNardi

    2015-08-01

    Full Text Available NNanoindentation tests were carried out on the surface of polymer nanocomposites exhibiting either graded or homogeneous distributions of Fe3O4@silica core-shell nanoparticles in a photocurable polymeric matrix. The results reveal a complex interplay between graded morphology, indentation depth and calculated modulus and hardness values, which was elucidated through numerical simulations. First, it was experimentally shown how for small (1 µm indentations, large increases in modulus (up to +40% and hardness (up to +93% were obtained for graded composites with respect to their homogeneous counterparts, whereas at a larger indentation depth (20 µm the modulus and hardness of the graded and homogeneous composites did not substantially differ from each other and from those of the pure polymer. Then, through a Material Point Method approach, experimental nanoindentation tests were successfully simulated, confirming the importance of the indentation depth and of the associated plastic zone as key factors for a more accurate design of graded polymer nanocomposites whose mechanical properties are able to fulfill the requirements encountered during operational life.

  6. Making a difference: incorporating theories of autonomy into models of informed consent.

    Delany, C

    2008-09-01

    Obtaining patients' informed consent is an ethical and legal obligation in healthcare practice. Whilst the law provides prescriptive rules and guidelines, ethical theories of autonomy provide moral foundations. Models of practice of consent, have been developed in the bioethical literature to assist in understanding and integrating the ethical theory of autonomy and legal obligations into the clinical process of obtaining a patient's informed consent to treatment. To review four models of consent and analyse the way each model incorporates the ethical meaning of autonomy and how, as a consequence, they might change the actual communicative process of obtaining informed consent within clinical contexts. An iceberg framework of consent is used to conceptualise how ethical theories of autonomy are positioned and underpin the above surface, and visible clinical communication, including associated legal guidelines and ethical rules. Each model of consent is critically reviewed from the perspective of how it might shape the process of informed consent. All four models would alter the process of obtaining consent. Two models provide structure and guidelines for the content and timing of obtaining patients' consent. The two other models rely on an attitudinal shift in clinicians. They provide ideas for consent by focusing on underlying values, attitudes and meaning associated with the ethical meaning of autonomy. The paper concludes that models of practice that explicitly incorporate the underlying ethical meaning of autonomy as their basis, provide less prescriptive, but more theoretically rich guidance for healthcare communicative practices.

  7. Incorporation of human factors into ship collision risk models focusing on human centred design aspects

    Sotiralis, P.; Ventikos, N.P.; Hamann, R.; Golyshev, P.; Teixeira, A.P.

    2016-01-01

    This paper presents an approach that more adequately incorporates human factor considerations into quantitative risk analysis of ship operation. The focus is on the collision accident category, which is one of the main risk contributors in ship operation. The approach is based on the development of a Bayesian Network (BN) model that integrates elements from the Technique for Retrospective and Predictive Analysis of Cognitive Errors (TRACEr) and focuses on the calculation of the collision accident probability due to human error. The model takes into account the human performance in normal, abnormal and critical operational conditions and implements specific tasks derived from the analysis of the task errors leading to the collision accident category. A sensitivity analysis is performed to identify the most important contributors to human performance and ship collision. Finally, the model developed is applied to assess the collision risk of a feeder operating in Dover strait using the collision probability estimated by the developed BN model and an Event tree model for calculation of human, economic and environmental risks. - Highlights: • A collision risk model for the incorporation of human factors into quantitative risk analysis is proposed. • The model takes into account the human performance in different operational conditions leading to the collision. • The most important contributors to human performance and ship collision are identified. • The model developed is applied to assess the collision risk of a feeder operating in Dover strait.

  8. Modeling fraud detection and the incorporation of forensic specialists in the audit process

    Sakalauskaite, Dominyka

    Financial statement audits are still comparatively poor in fraud detection. Forensic specialists can play a significant role in increasing audit quality. In this paper, based on prior academic research, I develop a model of fraud detection and the incorporation of forensic specialists in the audit...... process. The intention of the model is to identify the reasons why the audit is weak in fraud detection and to provide the analytical framework to assess whether the incorporation of forensic specialists can help to improve it. The results show that such specialists can potentially improve the fraud...... detection in the audit, but might also cause some negative implications. Overall, even though fraud detection is one of the main topics in research there are very few studies done on the subject of how auditors co-operate with forensic specialists. Thus, the paper concludes with suggestions for further...

  9. Gold Incorporated Mesoporous Silica Thin Film Model Surface as a Robust SERS and Catalytically Active Substrate

    Anandakumari Chandrasekharan Sunil Sekhar

    2016-05-01

    Full Text Available Ultra-small gold nanoparticles incorporated in mesoporous silica thin films with accessible pore channels perpendicular to the substrate are prepared by a modified sol-gel method. The simple and easy spin coating technique is applied here to make homogeneous thin films. The surface characterization using FESEM shows crack-free films with a perpendicular pore arrangement. The applicability of these thin films as catalysts as well as a robust SERS active substrate for model catalysis study is tested. Compared to bare silica film our gold incorporated silica, GSM-23F gave an enhancement factor of 103 for RhB with a laser source 633 nm. The reduction reaction of p-nitrophenol with sodium borohydride from our thin films shows a decrease in peak intensity corresponding to –NO2 group as time proceeds, confirming the catalytic activity. Such model surfaces can potentially bridge the material gap between a real catalytic system and surface science studies.

  10. Enhanced Thermal, Mechanical and Morphological Properties of CNT/HDPE Nanocomposite Using MMT as Secondary Filler

    M. E. Ali Mohsin; Agus Arsad; Othman Y. Alothman

    2014-01-01

    This study explains the influence of secondary filler on the dispersion of carbon nanotube (CNT) reinforced high density polyethylene (HDPE) nanocomposites (CNT/HDPE). In order to understand the mixed-fillers system, Montmorillonite (MMT) was added to CNT/HDPE nanocomposites. It was followed by investigating their effect on the thermal, mechanical and morphological properties of the aforesaid nanocomposite. Incorporation of 3 wt% each of MMT into CNT/HDPE nanocomposite resulted to the increas...

  11. Cellulose nanocrystal: electronically conducting polymer nanocomposites for supercapacitors

    Liew, Soon Yee

    2012-01-01

    This thesis describes the use of cellulose nanocrystals for the fabrication of porous nanocomposites with electronic conducting polymers for electrochemical supercapacitor applications. The exceptional strength and negatively charged surface functionalities on cellulose nanocrystals are utilised in these nanocomposites. The negatively charged surface functionalities on cellulose nanocrystals allow their simultaneous incorporation into electropolymerised, positively charged conducting polymer ...

  12. Incorporation of stochastic engineering models as prior information in Bayesian medical device trials.

    Haddad, Tarek; Himes, Adam; Thompson, Laura; Irony, Telba; Nair, Rajesh

    2017-01-01

    Evaluation of medical devices via clinical trial is often a necessary step in the process of bringing a new product to market. In recent years, device manufacturers are increasingly using stochastic engineering models during the product development process. These models have the capability to simulate virtual patient outcomes. This article presents a novel method based on the power prior for augmenting a clinical trial using virtual patient data. To properly inform clinical evaluation, the virtual patient model must simulate the clinical outcome of interest, incorporating patient variability, as well as the uncertainty in the engineering model and in its input parameters. The number of virtual patients is controlled by a discount function which uses the similarity between modeled and observed data. This method is illustrated by a case study of cardiac lead fracture. Different discount functions are used to cover a wide range of scenarios in which the type I error rates and power vary for the same number of enrolled patients. Incorporation of engineering models as prior knowledge in a Bayesian clinical trial design can provide benefits of decreased sample size and trial length while still controlling type I error rate and power.

  13. Au Based Nanocomposites Towards Plasmonic Applications

    Panniello, A.; Curri, M. L.; Placido, T.; Reboud, V.; Kehagias, N.; Sotomayor Torres, C. M.; Mecerreyes, D.; Agostiano, A.; Striccoli, M.

    2010-06-01

    Incorporation of nano-sized metals in polymers can transfer their unique features to the host matrix, providing nanocomposite materials with improved optical, electric, magnetic and mechanical properties. In this work, colloidal Au nanorods have been incorporated into PMMA based random co-polymer, properly functionalized with amino groups and the optical and morphological properties of the resulting nanocomposite have been investigated by spectroscopic and AFM measurements. Au nanorods have demonstrated to preserve the plasmon absorption and to retain morphological features upon the incorporation, thus making the final metal modified polymer composite exploitable for the fabrication of plasmonic devices. The prepared nanocomposites have been then patterned by Nano Imprint Lithography technique in order to demonstrate the viability of the materials towards optical applications.

  14. A code reviewer assignment model incorporating the competence differences and participant preferences

    Wang Yanqing

    2016-03-01

    Full Text Available A good assignment of code reviewers can effectively utilize the intellectual resources, assure code quality and improve programmers’ skills in software development. However, little research on reviewer assignment of code review has been found. In this study, a code reviewer assignment model is created based on participants’ preference to reviewing assignment. With a constraint of the smallest size of a review group, the model is optimized to maximize review outcomes and avoid the negative impact of “mutual admiration society”. This study shows that the reviewer assignment strategies incorporating either the reviewers’ preferences or the authors’ preferences get much improvement than a random assignment. The strategy incorporating authors’ preference makes higher improvement than that incorporating reviewers’ preference. However, when the reviewers’ and authors’ preference matrixes are merged, the improvement becomes moderate. The study indicates that the majority of the participants have a strong wish to work with reviewers and authors having highest competence. If we want to satisfy the preference of both reviewers and authors at the same time, the overall improvement of learning outcomes may be not the best.

  15. Molecular modeling and simulation of atactic polystyrene/amorphous silica nanocomposites

    Mathioudakis, I; Vogiatzis, G G; Tzoumanekas, C; Theodorou, D N

    2016-01-01

    The local structure, segmental dynamics, topological analysis of entanglement networks and mechanical properties of atactic polystyrene - amorphous silica nanocomposites are studied via molecular simulations using two interconnected levels of representation: (a) A coarse - grained level. Equilibration at all length scales at this level is achieved via connectivity - altering Monte Carlo simulations. (b) An atomistic level. Initial configurations for atomistic Molecular Dynamics (MD) simulations are obtained by reverse mapping well- equilibrated coarse-grained configurations. By analyzing atomistic MD trajectories, the polymer density profile is found to exhibit layering in the vicinity of the nanoparticle surface. The dynamics of polystyrene (in neat and filled melt systems) is characterized in terms of bond orientation. Well-equilibrated coarse-grained long-chain configurations are reduced to entanglement networks via topological analysis with the CReTA algorithm. Atomistic simulation results for the mechanical properties are compared to the experimental measurements and other computational works. (paper)

  16. Nanocomposite catalyst with palladium nanoparticles encapsulated in a polymeric acid: A model for tandem environmental catalysis

    Isimjan, Tayirjan T.

    2013-04-01

    The synthesis and characterization of a novel hybrid nanocomposite catalyst comprised of palladium nanoparticles embedded in polystyrene sulfonic acid (PSSH) and supported on metal oxides is reported. The catalysts are intended for application in green catalysis, and they are shown to be effective in the hydrolysisreduction sequence of tandem catalytic reactions required for conversion of 2-phenyl-1,3-dioxolane to toluene or of phenol to cyclohexane. The two distinct components in the catalyst, Pd nanoparticles and acidic PSSH, are capable of catalyzing sequential reactions in one pot under mild conditions. This work has demonstrated a powerful approach toward designing highperformance, multifunctional, scalable, and environmentally friendly nanostructured tandem catalysts. © 2013 American Chemical Society.

  17. Incorporation of Markov reliability models for digital instrumentation and control systems into existing PRAs

    Bucci, P.; Mangan, L. A.; Kirschenbaum, J.; Mandelli, D.; Aldemir, T.; Arndt, S. A.

    2006-01-01

    Markov models have the ability to capture the statistical dependence between failure events that can arise in the presence of complex dynamic interactions between components of digital instrumentation and control systems. One obstacle to the use of such models in an existing probabilistic risk assessment (PRA) is that most of the currently available PRA software is based on the static event-tree/fault-tree methodology which often cannot represent such interactions. We present an approach to the integration of Markov reliability models into existing PRAs by describing the Markov model of a digital steam generator feedwater level control system, how dynamic event trees (DETs) can be generated from the model, and how the DETs can be incorporated into an existing PRA with the SAPHIRE software. (authors)

  18. Colloidal QDs-polymer nanocomposites

    Gordillo, H.; Suárez, I.; Rodríguez-Cantó, P.; Abargues, R.; García-Calzada, R.; Chyrvony, V.; Albert, S.; Martínez-Pastor, J.

    2012-04-01

    Nanometer-size colloidal semiconductor nanocrystals, or Quantum Dots (NQD), are very prospective active centers because their light emission is highly efficient and temperature-independent. Nanocomposites based on the incorporation of QDs inside a polymer matrix are very promising materials for application in future photonic devices because they combine the properties of QDs with the technological feasibility of polymers. In the present work some basic applications of these new materials have been studied. Firstly, the fabrication of planar and linear waveguides based on the incorporation of CdS, CdSe and CdTe in PMMA and SU-8 are demonstrated. As a result, photoluminescence (PL) of the QDs are coupled to a waveguide mode, being it able to obtain multicolor waveguiding. Secondly, nanocomposite films have been evaluated as photon energy down-shifting converters to improve the efficiency of solar cells.

  19. Global dynamics of a PDE model for aedes aegypti mosquitoe incorporating female sexual preference

    Parshad, Rana

    2011-01-01

    In this paper we study the long time dynamics of a reaction diffusion system, describing the spread of Aedes aegypti mosquitoes, which are the primary cause of dengue infection. The system incorporates a control attempt via the sterile insect technique. The model incorporates female mosquitoes sexual preference for wild males over sterile males. We show global existence of strong solution for the system. We then derive uniform estimates to prove the existence of a global attractor in L-2(Omega), for the system. The attractor is shown to be L-infinity(Omega) regular and posess state of extinction, if the injection of sterile males is large enough. We also provide upper bounds on the Hausdorff and fractal dimensions of the attractor.

  20. Nanocomposites chitosan/montmorillonite for drug delivery system

    Braga, Carla R. Costa; Barbosa, Rossemberg C.; Lima, Rosemary S. Cunha; Fook, Marcus V. Lia; Silva, Suedina M. Lima

    2009-01-01

    In drugs delivery system the incorporation of an inorganic nanophase in polymer matrix, i.e. production of an inorganic-organic nanocomposite is an attractive alternative to obtain a constant release rate for a prolonged time. This study was performed to obtain films of nanocomposites Chitosan/montmorillonite intercalation by the technique of solution in the proportions of 1:1, 5:1 and 10:1. The nanocomposites were characterized by infrared spectroscopy, X-ray diffraction and thermogravimetric analysis. The results indicated that the feasibility of obtaining films of nanocomposites exfoliate. Among the suggested applications for films developed in this study includes them use for drugs delivery system. (author)

  1. Development of polymer nanocomposites with regional bentonite clay

    Araujo, Edcleide M.; Leite, Amanda M.D.; Paz, Rene A. da; Medeiros, Keila M. de; Melo, Tomas J.A.; Barbosa, Josiane D.V.; Barbosa, Renata

    2011-01-01

    nanocomposites with regional bentonite clay were prepared by melt intercalation technique. The clays were studied without modification and modified with four quaternary ammonium salts. It was evidenced by X-ray diffraction that salts were incorporated into the clay structure thus confirming its organophilization. The nanocomposites were evaluated by means of thermal mechanic and flammability tests where presented properties significantly improved their pure polymers. The process of biodegradation of obtained bio nanocomposites was accelerated by the presence of clay. The produced membranes from nanocomposites have potential in the oil-water separation. (author)

  2. A Novel Approach of Understanding and Incorporating Error of Chemical Transport Models into a Geostatistical Framework

    Reyes, J.; Vizuete, W.; Serre, M. L.; Xu, Y.

    2015-12-01

    The EPA employs a vast monitoring network to measure ambient PM2.5 concentrations across the United States with one of its goals being to quantify exposure within the population. However, there are several areas of the country with sparse monitoring spatially and temporally. One means to fill in these monitoring gaps is to use PM2.5 modeled estimates from Chemical Transport Models (CTMs) specifically the Community Multi-scale Air Quality (CMAQ) model. CMAQ is able to provide complete spatial coverage but is subject to systematic and random error due to model uncertainty. Due to the deterministic nature of CMAQ, often these uncertainties are not quantified. Much effort is employed to quantify the efficacy of these models through different metrics of model performance. Currently evaluation is specific to only locations with observed data. Multiyear studies across the United States are challenging because the error and model performance of CMAQ are not uniform over such large space/time domains. Error changes regionally and temporally. Because of the complex mix of species that constitute PM2.5, CMAQ error is also a function of increasing PM2.5 concentration. To address this issue we introduce a model performance evaluation for PM2.5 CMAQ that is regionalized and non-linear. This model performance evaluation leads to error quantification for each CMAQ grid. Areas and time periods of error being better qualified. The regionalized error correction approach is non-linear and is therefore more flexible at characterizing model performance than approaches that rely on linearity assumptions and assume homoscedasticity of CMAQ predictions errors. Corrected CMAQ data are then incorporated into the modern geostatistical framework of Bayesian Maximum Entropy (BME). Through cross validation it is shown that incorporating error-corrected CMAQ data leads to more accurate estimates than just using observed data by themselves.

  3. Modeling water scarcity over south Asia: Incorporating crop growth and irrigation models into the Variable Infiltration Capacity (VIC) model

    Troy, Tara J.; Ines, Amor V. M.; Lall, Upmanu; Robertson, Andrew W.

    2013-04-01

    Large-scale hydrologic models, such as the Variable Infiltration Capacity (VIC) model, are used for a variety of studies, from drought monitoring to projecting the potential impact of climate change on the hydrologic cycle decades in advance. The majority of these models simulates the natural hydrological cycle and neglects the effects of human activities such as irrigation, which can result in streamflow withdrawals and increased evapotranspiration. In some parts of the world, these activities do not significantly affect the hydrologic cycle, but this is not the case in south Asia where irrigated agriculture has a large water footprint. To address this gap, we incorporate a crop growth model and irrigation model into the VIC model in order to simulate the impacts of irrigated and rainfed agriculture on the hydrologic cycle over south Asia (Indus, Ganges, and Brahmaputra basin and peninsular India). The crop growth model responds to climate signals, including temperature and water stress, to simulate the growth of maize, wheat, rice, and millet. For the primarily rainfed maize crop, the crop growth model shows good correlation with observed All-India yields (0.7) with lower correlations for the irrigated wheat and rice crops (0.4). The difference in correlation is because irrigation provides a buffer against climate conditions, so that rainfed crop growth is more tied to climate than irrigated crop growth. The irrigation water demands induce hydrologic water stress in significant parts of the region, particularly in the Indus, with the streamflow unable to meet the irrigation demands. Although rainfall can vary significantly in south Asia, we find that water scarcity is largely chronic due to the irrigation demands rather than being intermittent due to climate variability.

  4. Investigations of incorporating source directivity into room acoustics computer models to improve auralizations

    Vigeant, Michelle C.

    Room acoustics computer modeling and auralizations are useful tools when designing or modifying acoustically sensitive spaces. In this dissertation, the input parameter of source directivity has been studied in great detail to determine first its effect in room acoustics computer models and secondly how to better incorporate the directional source characteristics into these models to improve auralizations. To increase the accuracy of room acoustics computer models, the source directivity of real sources, such as musical instruments, must be included in the models. The traditional method for incorporating source directivity into room acoustics computer models involves inputting the measured static directivity data taken every 10° in a sphere-shaped pattern around the source. This data can be entered into the room acoustics software to create a directivity balloon, which is used in the ray tracing algorithm to simulate the room impulse response. The first study in this dissertation shows that using directional sources over an omni-directional source in room acoustics computer models produces significant differences both in terms of calculated room acoustics parameters and auralizations. The room acoustics computer model was also validated in terms of accurately incorporating the input source directivity. A recently proposed technique for creating auralizations using a multi-channel source representation has been investigated with numerous subjective studies, applied to both solo instruments and an orchestra. The method of multi-channel auralizations involves obtaining multi-channel anechoic recordings of short melodies from various instruments and creating individual channel auralizations. These auralizations are then combined to create a total multi-channel auralization. Through many subjective studies, this process was shown to be effective in terms of improving the realism and source width of the auralizations in a number of cases, and also modeling different

  5. A data-driven model for influenza transmission incorporating media effects.

    Mitchell, Lewis; Ross, Joshua V

    2016-10-01

    Numerous studies have attempted to model the effect of mass media on the transmission of diseases such as influenza; however, quantitative data on media engagement has until recently been difficult to obtain. With the recent explosion of 'big data' coming from online social media and the like, large volumes of data on a population's engagement with mass media during an epidemic are becoming available to researchers. In this study, we combine an online dataset comprising millions of shared messages relating to influenza with traditional surveillance data on flu activity to suggest a functional form for the relationship between the two. Using this data, we present a simple deterministic model for influenza dynamics incorporating media effects, and show that such a model helps explain the dynamics of historical influenza outbreaks. Furthermore, through model selection we show that the proposed media function fits historical data better than other media functions proposed in earlier studies.

  6. Towards a functional model of mental disorders incorporating the laws of thermodynamics.

    Murray, George C; McKenzie, Karen

    2013-05-01

    The current paper presents the hypothesis that the understanding of mental disorders can be advanced by incorporating the laws of thermodynamics, specifically relating to energy conservation and energy transfer. These ideas, along with the introduction of the notion that entropic activities are symptomatic of inefficient energy transfer or disorder, were used to propose a model of understanding mental ill health as resulting from the interaction of entropy, capacity and work (environmental demands). The model was applied to Attention Deficit Hyperactivity Disorder, and was shown to be compatible with current thinking about this condition, as well as emerging models of mental disorders as complex networks. A key implication of the proposed model is that it argues that all mental disorders require a systemic functional approach, with the advantage that it offers a number of routes into the assessment, formulation and treatment for mental health problems. Copyright © 2013 Elsevier Ltd. All rights reserved.

  7. Progress on Numerical Modeling of the Dispersion of Ceramic Nanoparticles During Ultrasonic Processing and Solidification of Al-Based Nanocomposites

    Zhang, Daojie; Nastac, Laurentiu

    2016-12-01

    In present study, 6061- and A356-based nano-composites are fabricated by using the ultrasonic stirring technology (UST) in a coreless induction furnace. SiC nanoparticles are used as the reinforcement. Nanoparticles are added into the molten metal and then dispersed by ultrasonic cavitation and acoustic streaming assisted by electromagnetic stirring. The applied UST parameters in the current experiments are used to validate a recently developed magneto-hydro-dynamics (MHD) model, which is capable of modeling the cavitation and nanoparticle dispersion during UST processing. The MHD model accounts for turbulent fluid flow, heat transfer and solidification, and electromagnetic field, as well as the complex interaction between the nanoparticles and both the molten and solidified alloys by using ANSYS Maxwell and ANSYS Fluent. Molecular dynamics (MD) simulations are conducted to analyze the complex interactions between the nanoparticle and the liquid/solid interface. The current modeling results demonstrate that a strong flow can disperse the nanoparticles relatively well during molten metal and solidification processes. MD simulation results prove that ultrafine particles (10 nm) will be engulfed by the solidification front instead of being pushed, which is beneficial for nano-dispersion.

  8. Incorporating ligament laxity in a finite element model for the upper cervical spine.

    Lasswell, Timothy L; Cronin, Duane S; Medley, John B; Rasoulinejad, Parham

    2017-11-01

    Predicting physiological range of motion (ROM) using a finite element (FE) model of the upper cervical spine requires the incorporation of ligament laxity. The effect of ligament laxity can be observed only on a macro level of joint motion and is lost once ligaments have been dissected and preconditioned for experimental testing. As a result, although ligament laxity values are recognized to exist, specific values are not directly available in the literature for use in FE models. The purpose of the current study is to propose an optimization process that can be used to determine a set of ligament laxity values for upper cervical spine FE models. Furthermore, an FE model that includes ligament laxity is applied, and the resulting ROM values are compared with experimental data for physiological ROM, as well as experimental data for the increase in ROM when a Type II odontoid fracture is introduced. The upper cervical spine FE model was adapted from a 50th percentile male full-body model developed with the Global Human Body Models Consortium (GHBMC). FE modeling was performed in LS-DYNA and LS-OPT (Livermore Software Technology Group) was used for ligament laxity optimization. Ordinate-based curve matching was used to minimize the mean squared error (MSE) between computed load-rotation curves and experimental load-rotation curves under flexion, extension, and axial rotation with pure moment loads from 0 to 3.5 Nm. Lateral bending was excluded from the optimization because the upper cervical spine was considered to be primarily responsible for flexion, extension, and axial rotation. Based on recommendations from the literature, four varying inputs representing laxity in select ligaments were optimized to minimize the MSE. Funding was provided by the Natural Sciences and Engineering Research Council of Canada as well as GHMBC. The present study was funded by the Natural Sciences and Engineering Research Council of Canada to support the work of one graduate student

  9. Cellulose whisker/epoxy resin nanocomposites.

    Tang, Liming; Weder, Christoph

    2010-04-01

    New nanocomposites composed of cellulose nanofibers or "whiskers" and an epoxy resin were prepared. Cellulose whiskers with aspect ratios of approximately 10 and approximately 84 were isolated from cotton and sea animals called tunicates, respectively. Suspensions of these whiskers in dimethylformamide were combined with an oligomeric difunctional diglycidyl ether of bisphenol A with an epoxide equivalent weight of 185-192 and a diethyl toluenediamine-based curing agent. Thin films were produced by casting these mixtures and subsequent curing. The whisker content was systematically varied between 4 and 24% v/v. Electron microscopy studies suggest that the whiskers are evenly dispersed within the epoxy matrix. Dynamic mechanical thermoanalysis revealed that the glass transition temperature (T(g)) of the materials was not significantly influenced by the incorporation of the cellulose filler. Between room temperature and 150 degrees C, i.e., below T(g), the tensile storage moduli (E') of the nanocomposites increased modestly, for example from 1.6 GPa for the neat polymer to 4.9 and 3.6 GPa for nanocomposites comprising 16% v/v tunicate or cotton whiskers. The relative reinforcement was more significant at 185 degrees C (i.e., above T(g)), where E' was increased from approximately 16 MPa (neat polymer) to approximately 1.6 GPa (tunicate) or approximately 215 MPa (cotton). The mechanical properties of the new materials are well-described by the percolation model and are the result of the formation of a percolating whisker network in which stress transfer is facilitated by strong interactions between the whiskers.

  10. Incorporating microbiota data into epidemiologic models: examples from vaginal microbiota research.

    van de Wijgert, Janneke H; Jespers, Vicky

    2016-05-01

    Next generation sequencing and quantitative polymerase chain reaction technologies are now widely available, and research incorporating these methods is growing exponentially. In the vaginal microbiota (VMB) field, most research to date has been descriptive. The purpose of this article is to provide an overview of different ways in which next generation sequencing and quantitative polymerase chain reaction data can be used to answer clinical epidemiologic research questions using examples from VMB research. We reviewed relevant methodological literature and VMB articles (published between 2008 and 2015) that incorporated these methodologies. VMB data have been analyzed using ecologic methods, methods that compare the presence or relative abundance of individual taxa or community compositions between different groups of women or sampling time points, and methods that first reduce the complexity of the data into a few variables followed by the incorporation of these variables into traditional biostatistical models. To make future VMB research more clinically relevant (such as studying associations between VMB compositions and clinical outcomes and the effects of interventions on the VMB), it is important that these methods are integrated with rigorous epidemiologic methods (such as appropriate study designs, sampling strategies, and adjustment for confounding). Crown Copyright © 2016. Published by Elsevier Inc. All rights reserved.

  11. Teaching Genetic Counseling Skills: Incorporating a Genetic Counseling Adaptation Continuum Model to Address Psychosocial Complexity.

    Shugar, Andrea

    2017-04-01

    Genetic counselors are trained health care professionals who effectively integrate both psychosocial counseling and information-giving into their practice. Preparing genetic counseling students for clinical practice is a challenging task, particularly when helping them develop effective and active counseling skills. Resistance to incorporating these skills may stem from decreased confidence, fear of causing harm or a lack of clarity of psycho-social goals. The author reflects on the personal challenges experienced in teaching genetic counselling students to work with psychological and social complexity, and proposes a Genetic Counseling Adaptation Continuum model and methodology to guide students in the use of advanced counseling skills.

  12. Incorporation of detailed eye model into polygon-mesh versions of ICRP-110 reference phantoms.

    Nguyen, Thang Tat; Yeom, Yeon Soo; Kim, Han Sung; Wang, Zhao Jun; Han, Min Cheol; Kim, Chan Hyeong; Lee, Jai Ki; Zankl, Maria; Petoussi-Henss, Nina; Bolch, Wesley E; Lee, Choonsik; Chung, Beom Sun

    2015-11-21

    The dose coefficients for the eye lens reported in ICRP 2010 Publication 116 were calculated using both a stylized model and the ICRP-110 reference phantoms, according to the type of radiation, energy, and irradiation geometry. To maintain consistency of lens dose assessment, in the present study we incorporated the ICRP-116 detailed eye model into the converted polygon-mesh (PM) version of the ICRP-110 reference phantoms. After the incorporation, the dose coefficients for the eye lens were calculated and compared with those of the ICRP-116 data. The results showed generally a good agreement between the newly calculated lens dose coefficients and the values of ICRP 2010 Publication 116. Significant differences were found for some irradiation cases due mainly to the use of different types of phantoms. Considering that the PM version of the ICRP-110 reference phantoms preserve the original topology of the ICRP-110 reference phantoms, it is believed that the PM version phantoms, along with the detailed eye model, provide more reliable and consistent dose coefficients for the eye lens.

  13. Model for incorporating fuel swelling and clad shrinkage effects in diffusion theory calculations (LWBR Development Program)

    Schick, W.C. Jr.; Milani, S.; Duncombe, E.

    1980-03-01

    A model has been devised for incorporating into the thermal feedback procedure of the PDQ few-group diffusion theory computer program the explicit calculation of depletion and temperature dependent fuel-rod shrinkage and swelling at each mesh point. The model determines the effect on reactivity of the change in hydrogen concentration caused by the variation in coolant channel area as the rods contract and expand. The calculation of fuel temperature, and hence of Doppler-broadened cross sections, is improved by correcting the heat transfer coefficient of the fuel-clad gap for the effects of clad creep, fuel densification and swelling, and release of fission-product gases into the gap. An approximate calculation of clad stress is also included in the model

  14. A Fibrocontractive Mechanochemical Model of Dermal Wound Closure Incorporating Realistic Growth Factor Kinetics

    Murphy, Kelly E.

    2012-01-13

    Fibroblasts and their activated phenotype, myofibroblasts, are the primary cell types involved in the contraction associated with dermal wound healing. Recent experimental evidence indicates that the transformation from fibroblasts to myofibroblasts involves two distinct processes: The cells are stimulated to change phenotype by the combined actions of transforming growth factor β (TGFβ) and mechanical tension. This observation indicates a need for a detailed exploration of the effect of the strong interactions between the mechanical changes and growth factors in dermal wound healing. We review the experimental findings in detail and develop a model of dermal wound healing that incorporates these phenomena. Our model includes the interactions between TGFβ and collagenase, providing a more biologically realistic form for the growth factor kinetics than those included in previous mechanochemical descriptions. A comparison is made between the model predictions and experimental data on human dermal wound healing and all the essential features are well matched. © 2012 Society for Mathematical Biology.

  15. Developing Baltic cod recruitment models II : Incorporation of environmental variability and species interaction

    Köster, Fritz; Hinrichsen, H.H.; St. John, Michael

    2001-01-01

    We investigate whether a process-oriented approach based on the results of field, laboratory, and modelling studies can be used to develop a stock-environment-recruitment model for Central Baltic cod (Gadus morhua). Based on exploratory statistical analysis, significant variables influencing...... affecting survival of eggs, predation by clupeids on eggs, larval transport, and cannibalism. Results showed that recruitment in the most important spawning area, the Bornholm Basin, during 1976-1995 was related to egg production; however, other factors affecting survival of the eggs (oxygen conditions......, predation) were also significant and when incorporated explained 69% of the variation in 0-group recruitment. In other spawning areas, variable hydrographic conditions did not allow for regular successful egg development. Hence, relatively simple models proved sufficient to predict recruitment of 0-group...

  16. Incorporating excitation-induced dephasing into the Maxwell-Bloch numerical modeling of photon echoes

    Burr, G.W.; Harris, Todd L.; Babbitt, Wm. Randall; Jefferson, C. Michael

    2004-01-01

    We describe the incorporation of excitation-induced dephasing (EID) into the Maxwell-Bloch numerical simulation of photon echoes. At each time step of the usual numerical integration, stochastic frequency jumps of ions--caused by excitation of neighboring ions--is modeled by convolving each Bloch vector with the Bloch vectors of nearby frequency detunings. The width of this convolution kernel follows the instantaneous change in overall population, integrated over the simulated bandwidth. This approach is validated by extensive comparison against published and original experimental results. The enhanced numerical model is then used to investigate the accuracy of experiments designed to extrapolate to the intrinsic dephasing time T 2 from data taken in the presence of EID. Such a modeling capability offers improved understanding of experimental results, and should allow quantitative analysis of engineering tradeoffs in realistic optical coherent transient applications

  17. Affordances perspective and grammaticalization: Incorporation of language, environment and users in the model of semantic paths

    Alexander Andrason

    2015-12-01

    Full Text Available The present paper demonstrates that insights from the affordances perspective can contribute to developing a more comprehensive model of grammaticalization. The authors argue that the grammaticalization process is afforded differently depending on the values of three contributing parameters: the factor (schematized as a qualitative-quantitative map or a wave of a gram, environment (understood as the structure of the stream along which the gram travels, and actor (narrowed to certain cognitive-epistemological capacities of the users, in particular to the fact of being a native speaker. By relating grammaticalization to these three parameters and by connecting it to the theory of optimization, the proposed model offers a better approximation to realistic cases of grammaticalization: The actor and environment are overtly incorporated into the model and divergences from canonical grammaticalization paths are both tolerated and explicable.

  18. A Fibrocontractive Mechanochemical Model of Dermal Wound Closure Incorporating Realistic Growth Factor Kinetics

    Murphy, Kelly E.; Hall, Cameron L.; Maini, Philip K.; McCue, Scott W.; McElwain, D. L. Sean

    2012-01-01

    Fibroblasts and their activated phenotype, myofibroblasts, are the primary cell types involved in the contraction associated with dermal wound healing. Recent experimental evidence indicates that the transformation from fibroblasts to myofibroblasts involves two distinct processes: The cells are stimulated to change phenotype by the combined actions of transforming growth factor β (TGFβ) and mechanical tension. This observation indicates a need for a detailed exploration of the effect of the strong interactions between the mechanical changes and growth factors in dermal wound healing. We review the experimental findings in detail and develop a model of dermal wound healing that incorporates these phenomena. Our model includes the interactions between TGFβ and collagenase, providing a more biologically realistic form for the growth factor kinetics than those included in previous mechanochemical descriptions. A comparison is made between the model predictions and experimental data on human dermal wound healing and all the essential features are well matched. © 2012 Society for Mathematical Biology.

  19. Incorporating Yearly Derived Winter Wheat Maps Into Winter Wheat Yield Forecasting Model

    Skakun, S.; Franch, B.; Roger, J.-C.; Vermote, E.; Becker-Reshef, I.; Justice, C.; Santamaría-Artigas, A.

    2016-01-01

    Wheat is one of the most important cereal crops in the world. Timely and accurate forecast of wheat yield and production at global scale is vital in implementing food security policy. Becker-Reshef et al. (2010) developed a generalized empirical model for forecasting winter wheat production using remote sensing data and official statistics. This model was implemented using static wheat maps. In this paper, we analyze the impact of incorporating yearly wheat masks into the forecasting model. We propose a new approach of producing in season winter wheat maps exploiting satellite data and official statistics on crop area only. Validation on independent data showed that the proposed approach reached 6% to 23% of omission error and 10% to 16% of commission error when mapping winter wheat 2-3 months before harvest. In general, we found a limited impact of using yearly winter wheat masks over a static mask for the study regions.

  20. Some considerations concerning the challenge of incorporating social variables into epidemiological models of infectious disease transmission.

    Barnett, Tony; Fournié, Guillaume; Gupta, Sunetra; Seeley, Janet

    2015-01-01

    Incorporation of 'social' variables into epidemiological models remains a challenge. Too much detail and models cease to be useful; too little and the very notion of infection - a highly social process in human populations - may be considered with little reference to the social. The French sociologist Émile Durkheim proposed that the scientific study of society required identification and study of 'social currents'. Such 'currents' are what we might today describe as 'emergent properties', specifiable variables appertaining to individuals and groups, which represent the perspectives of social actors as they experience the environment in which they live their lives. Here we review the ways in which one particular emergent property, hope, relevant to a range of epidemiological situations, might be used in epidemiological modelling of infectious diseases in human populations. We also indicate how such an approach might be extended to include a range of other potential emergent properties to represent complex social and economic processes bearing on infectious disease transmission.

  1. Nanocomposite organomineral hybrid materials. Part 2

    KUDRYAVTSEV Pavel Gennadievich

    2016-04-01

    Full Text Available The paper addresses the issues of alkoxide method of sol-gel synthesis and non-hydrolytic method of sol-gel synthesis and colloidal method of sol-gel synthesis. The authors also consider an alternative approach based on the use of soluble silicates as precursors in the sol-gel technology, of nanocomposites. It was shown that nanocomposites can be produced through aerogels. The paper also analyzes the mixing technologies of nanocomposites preparation. It has been demonstrated the possibility to change the types of nano-phase which is used for obtaining nanocomposites in different approaches. Various models of packaging spherical, fibrous and layered nanoparticles, introduced into the structure of the nanocomposite, in the preparation thereof were examined.

  2. Nanocomposite organomineral hybrid materials. Part I

    KUDRYAVTSEV Pavel Gennadievich

    2016-02-01

    Full Text Available The paper addresses the issues of alkoxide method of sol-gel synthesis and non-hydrolytic method of sol-gel synthesis and colloidal method of sol-gel synthesis. The authors also consider an alternative approach based on the use of soluble silicates as precursors in the sol-gel technology, of nanocomposites. It was shown that nanocomposites can be produced through aerogels. The paper also analyzes the mixing technologies of nanocomposites preparation. It has been demonstrated the possibility to change the types of nano-phase which is used for obtaining nanocomposites in different approaches. Various models of packaging spherical, fibrous and layered nanoparticles, introduced into the structure of the nanocomposite, in the preparation thereof were examined.

  3. Nanocomposite organomineral hybrid materials. Part 3

    KUDRYAVTSEV Pavel Gennadievich

    2016-06-01

    Full Text Available The paper addresses the issues of alkoxide method of sol-gel synthesis and non-hydrolytic method of sol-gel synthesis and colloidal method of sol-gel synthesis. The authors also consider an alternative approach based on the use of soluble silicates as precursors in the sol-gel technology, of nanocomposites. It was shown that nanocomposites can be produced through aerogels. The paper also analyzes the mixing technologies of nanocomposites preparation. It has been demonstrated the possibility to change the types of nano-phase which is used for obtaining nanocomposites in different approaches. Various models of packaging spherical, fibrous and layered nanoparticles, introduced into the structure of the nanocomposite, in the preparation thereof were examined.

  4. Are adverse effects incorporated in economic models? An initial review of current practice.

    Craig, D; McDaid, C; Fonseca, T; Stock, C; Duffy, S; Woolacott, N

    2009-12-01

    To identify methodological research on the incorporation of adverse effects in economic models and to review current practice. Major electronic databases (Cochrane Methodology Register, Health Economic Evaluations Database, NHS Economic Evaluation Database, EconLit, EMBASE, Health Management Information Consortium, IDEAS, MEDLINE and Science Citation Index) were searched from inception to September 2007. Health technology assessment (HTA) reports commissioned by the National Institute for Health Research (NIHR) HTA programme and published between 2004 and 2007 were also reviewed. The reviews of methodological research on the inclusion of adverse effects in decision models and of current practice were carried out according to standard methods. Data were summarised in a narrative synthesis. Of the 719 potentially relevant references in the methodological research review, five met the inclusion criteria; however, they contained little information of direct relevance to the incorporation of adverse effects in models. Of the 194 HTA monographs published from 2004 to 2007, 80 were reviewed, covering a range of research and therapeutic areas. In total, 85% of the reports included adverse effects in the clinical effectiveness review and 54% of the decision models included adverse effects in the model; 49% included adverse effects in the clinical review and model. The link between adverse effects in the clinical review and model was generally weak; only 3/80 (manipulation. Of the models including adverse effects, 67% used a clinical adverse effects parameter, 79% used a cost of adverse effects parameter, 86% used one of these and 60% used both. Most models (83%) used utilities, but only two (2.5%) used solely utilities to incorporate adverse effects and were explicit that the utility captured relevant adverse effects; 53% of those models that included utilities derived them from patients on treatment and could therefore be interpreted as capturing adverse effects. In total

  5. A realistic closed-form radiobiological model of clinical tumor-control data incorporating intertumor heterogeneity

    Roberts, Stephen A.; Hendry, Jolyon H.

    1998-01-01

    Purpose: To investigate the role of intertumor heterogeneity in clinical tumor control datasets and the relationship to in vitro measurements of tumor biopsy samples. Specifically, to develop a modified linear-quadratic (LQ) model incorporating such heterogeneity that it is practical to fit to clinical tumor-control datasets. Methods and Materials: We developed a modified version of the linear-quadratic (LQ) model for tumor control, incorporating a (lagged) time factor to allow for tumor cell repopulation. We explicitly took into account the interpatient heterogeneity in clonogen number, radiosensitivity, and repopulation rate. Using this model, we could generate realistic TCP curves using parameter estimates consistent with those reported from in vitro studies, subject to the inclusion of a radiosensitivity (or dose)-modifying factor. We then demonstrated that the model was dominated by the heterogeneity in α (tumor radiosensitivity) and derived an approximate simplified model incorporating this heterogeneity. This simplified model is expressible in a compact closed form, which it is practical to fit to clinical datasets. Using two previously analysed datasets, we fit the model using direct maximum-likelihood techniques and obtained parameter estimates that were, again, consistent with the experimental data on the radiosensitivity of primary human tumor cells. This heterogeneity model includes the same number of adjustable parameters as the standard LQ model. Results: The modified model provides parameter estimates that can easily be reconciled with the in vitro measurements. The simplified (approximate) form of the heterogeneity model is a compact, closed-form probit function that can readily be fitted to clinical series by conventional maximum-likelihood methodology. This heterogeneity model provides a slightly better fit to the datasets than the conventional LQ model, with the same numbers of fitted parameters. The parameter estimates of the clinically

  6. Highly Conductive Multifunctional Graphene Polycarbonate Nanocomposites

    Yoonessi, Mitra; Gaier, James R.

    2010-01-01

    Graphene nanosheet bisphenol A polycarbonate nanocomposites (0.027 2.2 vol %) prepared by both emulsion mixing and solution blending methods, followed by compression molding at 287 C, exhibited dc electrical percolation threshold of approx.0.14 and approx.0.38 vol %, respectively. The conductivities of 2.2 vol % graphene nanocomposites were 0.512 and 0.226 S/cm for emulsion and solution mixing. The 1.1 and 2.2 vol % graphene nanocomposites exhibited frequency-independent behavior. Inherent conductivity, extremely high aspect ratio, and nanostructure directed assembly of the graphene using PC nanospheres are the main factors for excellent electrical properties of the nanocomposites. Dynamic tensile moduli of nanocomposites increased with increasing graphene in the nanocomposite. The glass transition temperatures were decreased with increasing graphene for the emulsion series. High-resolution electron microscopy (HR-TEM) and small-angle neutron scattering (SANS) showed isolated graphene with no connectivity path for insulating nanocomposites and connected nanoparticles for the conductive nanocomposites. A stacked disk model was used to obtain the average particle radius, average number of graphene layers per stack, and stack spacing by simulation of the experimental SANS data. Morphology studies indicated the presence of well-dispersed graphene and small graphene stacking with infusion of polycarbonate within the stacks.

  7. Incorporating remote sensing-based ET estimates into the Community Land Model version 4.5

    D. Wang

    2017-07-01

    Full Text Available Land surface models bear substantial biases in simulating surface water and energy budgets despite the continuous development and improvement of model parameterizations. To reduce model biases, Parr et al. (2015 proposed a method incorporating satellite-based evapotranspiration (ET products into land surface models. Here we apply this bias correction method to the Community Land Model version 4.5 (CLM4.5 and test its performance over the conterminous US (CONUS. We first calibrate a relationship between the observational ET from the Global Land Evaporation Amsterdam Model (GLEAM product and the model ET from CLM4.5, and assume that this relationship holds beyond the calibration period. During the validation or application period, a simulation using the default CLM4.5 (CLM is conducted first, and its output is combined with the calibrated observational-vs.-model ET relationship to derive a corrected ET; an experiment (CLMET is then conducted in which the model-generated ET is overwritten with the corrected ET. Using the observations of ET, runoff, and soil moisture content as benchmarks, we demonstrate that CLMET greatly improves the hydrological simulations over most of the CONUS, and the improvement is stronger in the eastern CONUS than the western CONUS and is strongest over the Southeast CONUS. For any specific region, the degree of the improvement depends on whether the relationship between observational and model ET remains time-invariant (a fundamental hypothesis of the Parr et al. (2015 method and whether water is the limiting factor in places where ET is underestimated. While the bias correction method improves hydrological estimates without improving the physical parameterization of land surface models, results from this study do provide guidance for physically based model development effort.

  8. A constitutive mechanical model for gas hydrate bearing sediments incorporating inelastic mechanisms

    Sánchez, Marcelo

    2016-11-30

    Gas hydrate bearing sediments (HBS) are natural soils formed in permafrost and sub-marine settings where the temperature and pressure conditions are such that gas hydrates are stable. If these conditions shift from the hydrate stability zone, hydrates dissociate and move from the solid to the gas phase. Hydrate dissociation is accompanied by significant changes in sediment structure and strongly affects its mechanical behavior (e.g., sediment stiffenss, strength and dilatancy). The mechanical behavior of HBS is very complex and its modeling poses great challenges. This paper presents a new geomechanical model for hydrate bearing sediments. The model incorporates the concept of partition stress, plus a number of inelastic mechanisms proposed to capture the complex behavior of this type of soil. This constitutive model is especially well suited to simulate the behavior of HBS upon dissociation. The model was applied and validated against experimental data from triaxial and oedometric tests conducted on manufactured and natural specimens involving different hydrate saturation, hydrate morphology, and confinement conditions. Particular attention was paid to model the HBS behavior during hydrate dissociation under loading. The model performance was highly satisfactory in all the cases studied. It managed to properly capture the main features of HBS mechanical behavior and it also assisted to interpret the behavior of this type of sediment under different loading and hydrate conditions.

  9. Incorporating vehicle mix in stimulus-response car-following models

    Saidi Siuhi

    2016-06-01

    Full Text Available The objective of this paper is to incorporate vehicle mix in stimulus-response car-following models. Separate models were estimated for acceleration and deceleration responses to account for vehicle mix via both movement state and vehicle type. For each model, three sub-models were developed for different pairs of following vehicles including “automobile following automobile,” “automobile following truck,” and “truck following automobile.” The estimated model parameters were then validated against other data from a similar region and roadway. The results indicated that drivers' behaviors were significantly different among the different pairs of following vehicles. Also the magnitude of the estimated parameters depends on the type of vehicle being driven and/or followed. These results demonstrated the need to use separate models depending on movement state and vehicle type. The differences in parameter estimates confirmed in this paper highlight traffic safety and operational issues of mixed traffic operation on a single lane. The findings of this paper can assist transportation professionals to improve traffic simulation models used to evaluate the impact of different strategies on ameliorate safety and performance of highways. In addition, driver response time lag estimates can be used in roadway design to calculate important design parameters such as stopping sight distance on horizontal and vertical curves for both automobiles and trucks.

  10. Fuzzy Logic-Based Model That Incorporates Personality Traits for Heterogeneous Pedestrians

    Zhuxin Xue

    2017-10-01

    Full Text Available Most models designed to simulate pedestrian dynamical behavior are based on the assumption that human decision-making can be described using precise values. This study proposes a new pedestrian model that incorporates fuzzy logic theory into a multi-agent system to address cognitive behavior that introduces uncertainty and imprecision during decision-making. We present a concept of decision preferences to represent the intrinsic control factors of decision-making. To realize the different decision preferences of heterogeneous pedestrians, the Five-Factor (OCEAN personality model is introduced to model the psychological characteristics of individuals. Then, a fuzzy logic-based approach is adopted for mapping the relationships between the personality traits and the decision preferences. Finally, we have developed an application using our model to simulate pedestrian dynamical behavior in several normal or non-panic scenarios, including a single-exit room, a hallway with obstacles, and a narrowing passage. The effectiveness of the proposed model is validated with a user study. The results show that the proposed model can generate more reasonable and heterogeneous behavior in the simulation and indicate that individual personality has a noticeable effect on pedestrian dynamical behavior.

  11. Discontinuous Galerkin Time-Domain Modeling of Graphene Nano-Ribbon Incorporating the Spatial Dispersion Effects

    Li, Ping; Jiang, Li Jun; Bagci, Hakan

    2018-01-01

    It is well known that graphene demonstrates spatial dispersion properties, i.e., its conductivity is nonlocal and a function of spectral wave number (momentum operator) q. In this paper, to account for effects of spatial dispersion on transmission of high speed signals along graphene nano-ribbon (GNR) interconnects, a discontinuous Galerkin time-domain (DGTD) algorithm is proposed. The atomically-thick GNR is modeled using a nonlocal transparent surface impedance boundary condition (SIBC) incorporated into the DGTD scheme. Since the conductivity is a complicated function of q (and one cannot find an analytical Fourier transform pair between q and spatial differential operators), an exact time domain SIBC model cannot be derived. To overcome this problem, the conductivity is approximated by its Taylor series in spectral domain under low-q assumption. This approach permits expressing the time domain SIBC in the form of a second-order partial differential equation (PDE) in current density and electric field intensity. To permit easy incorporation of this PDE with the DGTD algorithm, three auxiliary variables, which degenerate the second-order (temporal and spatial) differential operators to first-order ones, are introduced. Regarding to the temporal dispersion effects, the auxiliary differential equation (ADE) method is utilized to eliminates the expensive temporal convolutions. To demonstrate the applicability of the proposed scheme, numerical results, which involve characterization of spatial dispersion effects on the transfer impedance matrix of GNR interconnects, are presented.

  12. Discontinuous Galerkin Time-Domain Modeling of Graphene Nano-Ribbon Incorporating the Spatial Dispersion Effects

    Li, Ping

    2018-04-13

    It is well known that graphene demonstrates spatial dispersion properties, i.e., its conductivity is nonlocal and a function of spectral wave number (momentum operator) q. In this paper, to account for effects of spatial dispersion on transmission of high speed signals along graphene nano-ribbon (GNR) interconnects, a discontinuous Galerkin time-domain (DGTD) algorithm is proposed. The atomically-thick GNR is modeled using a nonlocal transparent surface impedance boundary condition (SIBC) incorporated into the DGTD scheme. Since the conductivity is a complicated function of q (and one cannot find an analytical Fourier transform pair between q and spatial differential operators), an exact time domain SIBC model cannot be derived. To overcome this problem, the conductivity is approximated by its Taylor series in spectral domain under low-q assumption. This approach permits expressing the time domain SIBC in the form of a second-order partial differential equation (PDE) in current density and electric field intensity. To permit easy incorporation of this PDE with the DGTD algorithm, three auxiliary variables, which degenerate the second-order (temporal and spatial) differential operators to first-order ones, are introduced. Regarding to the temporal dispersion effects, the auxiliary differential equation (ADE) method is utilized to eliminates the expensive temporal convolutions. To demonstrate the applicability of the proposed scheme, numerical results, which involve characterization of spatial dispersion effects on the transfer impedance matrix of GNR interconnects, are presented.

  13. Incorporating networks in a probabilistic graphical model to find drivers for complex human diseases.

    Mezlini, Aziz M; Goldenberg, Anna

    2017-10-01

    Discovering genetic mechanisms driving complex diseases is a hard problem. Existing methods often lack power to identify the set of responsible genes. Protein-protein interaction networks have been shown to boost power when detecting gene-disease associations. We introduce a Bayesian framework, Conflux, to find disease associated genes from exome sequencing data using networks as a prior. There are two main advantages to using networks within a probabilistic graphical model. First, networks are noisy and incomplete, a substantial impediment to gene discovery. Incorporating networks into the structure of a probabilistic models for gene inference has less impact on the solution than relying on the noisy network structure directly. Second, using a Bayesian framework we can keep track of the uncertainty of each gene being associated with the phenotype rather than returning a fixed list of genes. We first show that using networks clearly improves gene detection compared to individual gene testing. We then show consistently improved performance of Conflux compared to the state-of-the-art diffusion network-based method Hotnet2 and a variety of other network and variant aggregation methods, using randomly generated and literature-reported gene sets. We test Hotnet2 and Conflux on several network configurations to reveal biases and patterns of false positives and false negatives in each case. Our experiments show that our novel Bayesian framework Conflux incorporates many of the advantages of the current state-of-the-art methods, while offering more flexibility and improved power in many gene-disease association scenarios.

  14. Advanced Methods for Incorporating Solar Energy Technologies into Electric Sector Capacity-Expansion Models: Literature Review and Analysis

    Sullivan, P.; Eurek, K.; Margolis, R.

    2014-07-01

    Because solar power is a rapidly growing component of the electricity system, robust representations of solar technologies should be included in capacity-expansion models. This is a challenge because modeling the electricity system--and, in particular, modeling solar integration within that system--is a complex endeavor. This report highlights the major challenges of incorporating solar technologies into capacity-expansion models and shows examples of how specific models address those challenges. These challenges include modeling non-dispatchable technologies, determining which solar technologies to model, choosing a spatial resolution, incorporating a solar resource assessment, and accounting for solar generation variability and uncertainty.

  15. Fabrication of High Gas Barrier Epoxy Nanocomposites: An Approach Based on Layered Silicate Functionalized by a Compatible and Reactive Modifier of Epoxy-Diamine Adduct

    Ran Wei

    2018-05-01

    Full Text Available To solve the drawbacks of poor dispersion and weak interface in gas barrier nanocomposites, a novel epoxy-diamine adduct (DDA was synthesized by reacting epoxy monomer DGEBA with curing agent D400 to functionalize montmorillonite (MMT, which could provide complete compatibility and reactivity with a DGEBA/D400 epoxy matrix. Thereafter, sodium type montmorillonite (Na-MMT and organic-MMTs functionalized by DDA and polyether amines were incorporated with epoxy to manufacture nanocomposites. The effects of MMT functionalization on the morphology and gas barrier property of nanocomposites were evaluated. The results showed that DDA was successfully synthesized, terminating with epoxy and amine groups. By simulating the small-angle neutron scattering data with a sandwich structure model, the optimal dispersion/exfoliation of MMT was observed in a DDA-MMT/DGEBA nanocomposite with a mean radius of 751 Å, a layer thickness of 30.8 Å, and only two layers in each tactoid. Moreover, the DDA-MMT/DGEBA nanocomposite exhibited the best N2 barrier properties, which were about five times those of neat epoxy. Based on a modified Nielsen model, it was clarified that this excellent gas barrier property was due to the homogeneously dispersed lamellas with almost exfoliated structures. The improved morphology and barrier property confirmed the superiority of the adduct, which provides a general method for developing gas barrier nanocomposites.

  16. Energy system investment model incorporating heat pumps with thermal storage in buildings and buffer tanks

    Hedegaard, Karsten; Balyk, Olexandr

    2013-01-01

    Individual compression heat pumps constitute a potentially valuable resource in supporting wind power integration due to their economic competitiveness and possibilities for flexible operation. When analysing the system benefits of flexible heat pump operation, effects on investments should...... be taken into account. In this study, we present a model that facilitates analysing individual heat pumps and complementing heat storages in integration with the energy system, while optimising both investments and operation. The model incorporates thermal building dynamics and covers various heat storage...... of operating heat pumps flexibly. This includes prioritising heat pump operation for hours with low marginal electricity production costs, and peak load shaving resulting in a reduced need for peak and reserve capacity investments....

  17. A MULTI-RESOLUTION FUSION MODEL INCORPORATING COLOR AND ELEVATION FOR SEMANTIC SEGMENTATION

    W. Zhang

    2017-05-01

    Full Text Available In recent years, the developments for Fully Convolutional Networks (FCN have led to great improvements for semantic segmentation in various applications including fused remote sensing data. There is, however, a lack of an in-depth study inside FCN models which would lead to an understanding of the contribution of individual layers to specific classes and their sensitivity to different types of input data. In this paper, we address this problem and propose a fusion model incorporating infrared imagery and Digital Surface Models (DSM for semantic segmentation. The goal is to utilize heterogeneous data more accurately and effectively in a single model instead of to assemble multiple models. First, the contribution and sensitivity of layers concerning the given classes are quantified by means of their recall in FCN. The contribution of different modalities on the pixel-wise prediction is then analyzed based on visualization. Finally, an optimized scheme for the fusion of layers with color and elevation information into a single FCN model is derived based on the analysis. Experiments are performed on the ISPRS Vaihingen 2D Semantic Labeling dataset. Comprehensive evaluations demonstrate the potential of the proposed approach.

  18. Modelling and Simulation of a Manipulator with Stable Viscoelastic Grasping Incorporating Friction

    A. Khurshid

    2016-12-01

    Full Text Available Design, dynamics and control of a humanoid robotic hand based on anthropological dimensions, with joint friction, is modelled, simulated and analysed in this paper by using computer aided design and multibody dynamic simulation. Combined joint friction model is incorporated in the joints. Experimental values of coefficient of friction of grease lubricated sliding contacts representative of manipulator joints are presented. Human fingers deform to the shape of the grasped object (enveloping grasp at the area of interaction. A mass-spring-damper model of the grasp is developed. The interaction of the viscoelastic gripper of the arm with objects is analysed by using Bond Graph modelling method. Simulations were conducted for several material parameters. These results of the simulation are then used to develop a prototype of the proposed gripper. Bond graph model is experimentally validated by using the prototype. The gripper is used to successfully transport soft and fragile objects. This paper provides information on optimisation of friction and its inclusion in both dynamic modelling and simulation to enhance mechanical efficiency.

  19. Incorporating Social System Dynamics into the Food-Energy-Water System Resilience-Sustainability Modeling Process

    Givens, J.; Padowski, J.; Malek, K.; Guzman, C.; Boll, J.; Adam, J. C.; Witinok-Huber, R.

    2017-12-01

    In the face of climate change and multi-scalar governance objectives, achieving resilience of food-energy-water (FEW) systems requires interdisciplinary approaches. Through coordinated modeling and management efforts, we study "Innovations in the Food-Energy-Water Nexus (INFEWS)" through a case-study in the Columbia River Basin. Previous research on FEW system management and resilience includes some attention to social dynamics (e.g., economic, governance); however, more research is needed to better address social science perspectives. Decisions ultimately taken in this river basin would occur among stakeholders encompassing various institutional power structures including multiple U.S. states, tribal lands, and sovereign nations. The social science lens draws attention to the incompatibility between the engineering definition of resilience (i.e., return to equilibrium or a singular stable state) and the ecological and social system realities, more explicit in the ecological interpretation of resilience (i.e., the ability of a system to move into a different, possibly more resilient state). Social science perspectives include but are not limited to differing views on resilience as normative, system persistence versus transformation, and system boundary issues. To expand understanding of resilience and objectives for complex and dynamic systems, concepts related to inequality, heterogeneity, power, agency, trust, values, culture, history, conflict, and system feedbacks must be more tightly integrated into FEW research. We identify gaps in knowledge and data, and the value and complexity of incorporating social components and processes into systems models. We posit that socio-biophysical system resilience modeling would address important complex, dynamic social relationships, including non-linear dynamics of social interactions, to offer an improved understanding of sustainable management in FEW systems. Conceptual modeling that is presented in our study, represents

  20. Developing a stochastic parameterization to incorporate plant trait variability into ecohydrologic modeling

    Liu, S.; Ng, G. H. C.

    2017-12-01

    The global plant database has revealed that plant traits can vary more within a plant functional type (PFT) than among different PFTs, indicating that the current paradigm in ecohydrogical models of specifying fixed parameters based solely on plant functional type (PFT) could potentially bias simulations. Although some recent modeling studies have attempted to incorporate this observed plant trait variability, many failed to consider uncertainties due to sparse global observation, or they omitted spatial and/or temporal variability in the traits. Here we present a stochastic parameterization for prognostic vegetation simulations that are stochastic in time and space in order to represent plant trait plasticity - the process by which trait differences arise. We have developed the new PFT parameterization within the Community Land Model 4.5 (CLM 4.5) and tested the method for a desert shrubland watershed in the Mojave Desert, where fixed parameterizations cannot represent acclimation to desert conditions. Spatiotemporally correlated plant trait parameters were first generated based on TRY statistics and were then used to implement ensemble runs for the study area. The new PFT parameterization was then further conditioned on field measurements of soil moisture and remotely sensed observations of leaf-area-index to constrain uncertainties in the sparse global database. Our preliminary results show that incorporating data-conditioned, variable PFT parameterizations strongly affects simulated soil moisture and water fluxes, compared with default simulations. The results also provide new insights about correlations among plant trait parameters and between traits and environmental conditions in the desert shrubland watershed. Our proposed stochastic PFT parameterization method for ecohydrological models has great potential in advancing our understanding of how terrestrial ecosystems are predicted to adapt to variable environmental conditions.

  1. A model to incorporate organ deformation in the evaluation of dose/volume relationship

    Yan, D.; Jaffray, D.; Wong, J.; Brabbins, D.; Martinez, A. A.

    1997-01-01

    Purpose: Measurements of internal organ motion have demonstrated that daily organ deformation exists during the course of radiation treatment. However, a model to evaluate the resultant dose delivered to a daily deformed organ remains a difficult challenge. Current methods which model such organ deformation as rigid body motion in the dose calculation for treatment planning evaluation are incorrect and misleading. In this study, a new model for treatment planning evaluation is introduced which incorporates patient specific information of daily organ deformation and setup variation. The model was also used to retrospectively analyze the actual treatment data measured using daily CT scans for 5 patients with prostate treatment. Methods and Materials: The model assumes that for each patient, the organ of interest can be measured during the first few treatment days. First, the volume of each organ is delineated from each of the daily measurements and cumulated in a 3D bit-map. A tissue occupancy distribution is then constructed with the 50% isodensity representing the mean, or effective, organ volume. During the course of treatment, each voxel in the effective organ volume is assumed to move inside a local 3D neighborhood with a specific distribution function. The neighborhood and the distribution function are deduced from the positions and shapes of the organ in the first few measurements using the biomechanics model of viscoelastic body. For each voxel, the local distribution function is then convolved with the spatial dose distribution. The latter includes also the variation in dose due to daily setup error. As a result, the cumulative dose to the voxel incorporates the effects of daily setup variation and organ deformation. A ''variation adjusted'' dose volume histogram, aDVH, for the effective organ volume can then be constructed for the purpose of treatment evaluation and optimization. Up to 20 daily CT scans and daily portal images for 5 patients with prostate

  2. Incorporating time-delays in S-System model for reverse engineering genetic networks.

    Chowdhury, Ahsan Raja; Chetty, Madhu; Vinh, Nguyen Xuan

    2013-06-18

    In any gene regulatory network (GRN), the complex interactions occurring amongst transcription factors and target genes can be either instantaneous or time-delayed. However, many existing modeling approaches currently applied for inferring GRNs are unable to represent both these interactions simultaneously. As a result, all these approaches cannot detect important interactions of the other type. S-System model, a differential equation based approach which has been increasingly applied for modeling GRNs, also suffers from this limitation. In fact, all S-System based existing modeling approaches have been designed to capture only instantaneous interactions, and are unable to infer time-delayed interactions. In this paper, we propose a novel Time-Delayed S-System (TDSS) model which uses a set of delay differential equations to represent the system dynamics. The ability to incorporate time-delay parameters in the proposed S-System model enables simultaneous modeling of both instantaneous and time-delayed interactions. Furthermore, the delay parameters are not limited to just positive integer values (corresponding to time stamps in the data), but can also take fractional values. Moreover, we also propose a new criterion for model evaluation exploiting the sparse and scale-free nature of GRNs to effectively narrow down the search space, which not only reduces the computation time significantly but also improves model accuracy. The evaluation criterion systematically adapts the max-min in-degrees and also systematically balances the effect of network accuracy and complexity during optimization. The four well-known performance measures applied to the experimental studies on synthetic networks with various time-delayed regulations clearly demonstrate that the proposed method can capture both instantaneous and delayed interactions correctly with high precision. The experiments carried out on two well-known real-life networks, namely IRMA and SOS DNA repair network in

  3. Carrageenan-based semi-IPN nanocomposite hydrogels: Swelling kinetic and slow release of sequestrene Fe 138 fertilizer

    Mohammad Kazem Bahrami

    2016-09-01

    Full Text Available Nanocomposite hydrogels based on kappa-carrageenan were synthesized by incorporating natural sodium montmorillonite (Cloisite nanoclay. Acrylamide (AAm and methylenebisacrylamide (MBA were used as a monomer and a crosslinker, respectively. Effects of reaction variables on the swelling kinetics were studied. The results revealed that the rate of swelling for nanocomposites with high content of MBA was higher than those of nanocomposites consisting of low content of MBA. Similar to the effect of MBA, the rate of swelling enhanced as the carrageenan content was decreased. The influence of clay content on swelling rate was not remarkable. The experimental swelling data were evaluated by pseudo-first-order and pseudo-second-order kinetic models. The swelling data described well by pseudo-second-order kinetic model. Sequestrene Fe 138 (Sq as an agrochemical was loaded into nanocomposites and releasing of this active agent from nanocomposites was studied. The clay-free hydrogel released the whole loaded Sq; whereas the presence of clay restricted the release of Sq.

  4. Investigation of Zinc Oxide-Loaded Poly(Vinyl Alcohol) Nanocomposite Films in Tailoring Their Structural, Optical and Mechanical Properties

    Aslam, Muhammad; Kalyar, Mazhar Ali; Raza, Zulfiqar Ali

    2018-04-01

    Wurtzite ZnO nanoparticles, as a nanofiller, were incorporated in a poly(vinyl alcohol) (PVA) matrix to prepare multipurpose nanocomposite films using a solution casting approach. Some advanced analytical techniques were used to investigate the properties of prepared nanocomposite films. The mediation of ZnO nanofillers resulted in modification of structural, optical and mechanical properties of nanocomposite films. A comprehensive band structure investigation might be useful for designing technological applications like in optoelectronic devices. The experimental results were found to be closely dependent on the nanofiller contents. Some theoretical models like Tauc's and Wemple-DiDomenico, were employed to investigate the band structure parameters. The imaginary part of the dielectric constant was used to investigate the band gap. Then, the Helpin-Tsai model was employed to predict Young's moduli of the prepared nanocomposite films. On 3 wt.% ZnO nanofiller loading, the optical band gap of the PVA-based nanocomposite film was decreased from 5.26 eV to 3 eV, the tensile strength increased from 25.3 MPa to 48 MPa and Young's modulus increased from 144 MPa to 544 MPa.

  5. Benefits of incorporating spatial organisation of catchments for a semi-distributed hydrological model

    Schumann, Andreas; Oppel, Henning

    2017-04-01

    To represent the hydrological behaviour of catchments a model should reproduce/reflect the hydrologically most relevant catchment characteristics. These are heterogeneously distributed within a watershed but often interrelated and subject of a certain spatial organisation. Since common models are mostly based on fundamental assumptions about hydrological processes, the reduction of variance of catchment properties as well as the incorporation of the spatial organisation of the catchment is desirable. We have developed a method that combines the idea of the width-function used for determination of the geomorphologic unit hydrograph with information about soil or topography. With this method we are able to assess the spatial organisation of selected catchment characteristics. An algorithm was developed that structures a watershed into sub-basins and other spatial units to minimise its heterogeneity. The outcomes of this algorithm are used for the spatial setup of a semi-distributed model. Since the spatial organisation of a catchment is not bound to a single characteristic, we have to embed information of multiple catchment properties. For this purpose we applied a fuzzy-based method to combine the spatial setup for multiple single characteristics into a union, optimal spatial differentiation. Utilizing this method, we are able to propose a spatial structure for a semi-distributed hydrological model, comprising the definition of sub-basins and a zonal classification within each sub-basin. Besides the improved spatial structuring, the performed analysis ameliorates modelling in another way. The spatial variability of catchment characteristics, which is considered by a minimum of heterogeneity in the zones, can be considered in a parameter constrained calibration scheme in a case study both options were used to explore the benefits of incorporating the spatial organisation and derived parameter constraints for the parametrisation of a HBV-96 model. We use two benchmark

  6. Chitosan-gold-Lithium nanocomposites as solid polymer electrolyte.

    Begum, S N Suraiya; Pandian, Ramanathaswamy; Aswal, Vinod K; Ramasamy, Radha Perumal

    2014-08-01

    Lithium micro batteries are emerging field of research. For environmental safety biodegradable films are preferred. Recently biodegradable polymers have gained wide application in the field of solid polymer electrolytes. To make biodegradable polymers films plasticizers are usually used. However, use of plasticizers has disadvantages such as inhomogenities in phases and mechanical instability that will affect the performance of Lithium micro batteries. We have in this research used gold nanoparticles that are environmentally friendly, instead of plasticizers. Gold nanoparticles were directly template upon chitosan membranes by reduction process so as to enhance the interactions of Lithium with the polymer. In this article, for the first time the characteristics of Chitosan-gold-Lithium nanocomposite films are investigated. The films were prepared using simple solution casting technique. We have used various characterization tools such as Small Angle Neutron Scattering (SANS), XRD, FTIR, Raman, FESEM, and AFM, Light scattering, Dielectric and electrical conductivity measurements. Our investigations show that incorporation of gold results in enhancement of conductivity in Lithium containing Chitosan films. Also it affects the dielectric characteristics of the films. We conclude through various characterization tools that the enhancement in the conductivity was due to the retardation of crystal growth of lithium salt in the presence of gold nanoparticles. A model is proposed regarding the formation of the new nanocomposite. The conductivity of these biodegradable films is comparable to those of the current inorganic Lithium micro batteries. This new chitosan-Au-Li nanocomposite has potential applications in the field of Lithium micro batteries.

  7. Nanocomposite polymer electrolyte based on whisker or microfibrils polyoxyethylene nanocomposites

    Alloin, Fannie, E-mail: fannie.alloin@lepmi.grenoble-inp.f [LEPMI, Laboratoire d' Electrochimie et de Physicochimie des Materiaux et des Interfaces, Grenoble-INP-UJF-CNRS, UMR 5631, BP 75, 38041 Grenoble Cedex 9 (France); D' Aprea, Alessandra [Laboratoire de Rheologie, Grenoble-INP-UJF, UMR 5520, BP 53, 38041 Grenoble Cedex 9 (France); LEPMI, Laboratoire d' Electrochimie et de Physicochimie des Materiaux et des Interfaces, Grenoble-INP-UJF-CNRS, UMR 5631, BP 75, 38041 Grenoble Cedex 9 (France); Ecole Internationale du Papier, de la communication imprimee et des Biomateriaux, PAGORA- Grenoble-INP, BP 65, 38402 Saint Martin d' Heres Cedex (France); Kissi, Nadia El [Laboratoire de Rheologie, Grenoble-INP-UJF, UMR 5520, BP 53, 38041 Grenoble Cedex 9 (France); Dufresne, Alain [Ecole Internationale du Papier, de la communication imprimee et des Biomateriaux, PAGORA- Grenoble-INP, BP 65, 38402 Saint Martin d' Heres Cedex (France); Bossard, Frederic [Laboratoire de Rheologie, Grenoble-INP-UJF, UMR 5520, BP 53, 38041 Grenoble Cedex 9 (France)

    2010-07-15

    Nanocomposite polymer electrolytes composed of high molecular weight poly(oxyethylene) PEO as a matrix, LiTFSI as lithium salt and ramie, cotton and sisal whiskers with high aspect ratio and sisal microfibrils (MF), as reinforcing phase were prepared by casting-evaporation. The morphology of the composite electrolytes was investigated by scanning electron microscopy and their thermal behavior (characteristic temperatures, degradation temperature) were investigated by thermogravimetric analysis and differential scanning calorimetry. Nanocomposite electrolytes based on PEO reinforced by whiskers and MF sisal exhibited very high mechanical performance with a storage modulus of 160 MPa at high temperature. A weak decrease of the ionic conductivity was observed with the incorporation of 6 wt% of whiskers. The addition of microfibrils involved a larger decrease of the conductivity. This difference may be associated to the more restricted PEO mobility due to the addition of entangled nanofibers.

  8. Simulation of Forest Carbon Fluxes Using Model Incorporation and Data Assimilation

    Min Yan

    2016-07-01

    Full Text Available This study improved simulation of forest carbon fluxes in the Changbai Mountains with a process-based model (Biome-BGC using incorporation and data assimilation. Firstly, the original remote sensing-based MODIS MOD_17 GPP (MOD_17 model was optimized using refined input data and biome-specific parameters. The key ecophysiological parameters of the Biome-BGC model were determined through the Extended Fourier Amplitude Sensitivity Test (EFAST sensitivity analysis. Then the optimized MOD_17 model was used to calibrate the Biome-BGC model by adjusting the sensitive ecophysiological parameters. Once the best match was found for the 10 selected forest plots for the 8-day GPP estimates from the optimized MOD_17 and from the Biome-BGC, the values of sensitive ecophysiological parameters were determined. The calibrated Biome-BGC model agreed better with the eddy covariance (EC measurements (R2 = 0.87, RMSE = 1.583 gC·m−2·d−1 than the original model did (R2 = 0.72, RMSE = 2.419 gC·m−2·d−1. To provide a best estimate of the true state of the model, the Ensemble Kalman Filter (EnKF was used to assimilate five years (of eight-day periods between 2003 and 2007 of Global LAnd Surface Satellite (GLASS LAI products into the calibrated Biome-BGC model. The results indicated that LAI simulated through the assimilated Biome-BGC agreed well with GLASS LAI. GPP performances obtained from the assimilated Biome-BGC were further improved and verified by EC measurements at the Changbai Mountains forest flux site (R2 = 0.92, RMSE = 1.261 gC·m−2·d−1.

  9. Energy system investment model incorporating heat pumps with thermal storage in buildings and buffer tanks

    Hedegaard, Karsten; Balyk, Olexandr

    2013-01-01

    Individual compression heat pumps constitute a potentially valuable resource in supporting wind power integration due to their economic competitiveness and possibilities for flexible operation. When analysing the system benefits of flexible heat pump operation, effects on investments should be taken into account. In this study, we present a model that facilitates analysing individual heat pumps and complementing heat storages in integration with the energy system, while optimising both investments and operation. The model incorporates thermal building dynamics and covers various heat storage options: passive heat storage in the building structure via radiator heating, active heat storage in concrete floors via floor heating, and use of thermal storage tanks for space heating and hot water. It is shown that the model is well qualified for analysing possibilities and system benefits of operating heat pumps flexibly. This includes prioritising heat pump operation for hours with low marginal electricity production costs, and peak load shaving resulting in a reduced need for peak and reserve capacity investments. - Highlights: • Model optimising heat pumps and heat storages in integration with the energy system. • Optimisation of both energy system investments and operation. • Heat storage in building structure and thermal storage tanks included. • Model well qualified for analysing system benefits of flexible heat pump operation. • Covers peak load shaving and operation prioritised for low electricity prices

  10. Incorporating social groups' responses in a descriptive model for second- and higher-order impact identification

    Sutheerawatthana, Pitch; Minato, Takayuki

    2010-01-01

    The response of a social group is a missing element in the formal impact assessment model. Previous discussion of the involvement of social groups in an intervention has mainly focused on the formation of the intervention. This article discusses the involvement of social groups in a different way. A descriptive model is proposed by incorporating a social group's response into the concept of second- and higher-order effects. The model is developed based on a cause-effect relationship through the observation of phenomena in case studies. The model clarifies the process by which social groups interact with a lower-order effect and then generate a higher-order effect in an iterative manner. This study classifies social groups' responses into three forms-opposing, modifying, and advantage-taking action-and places them in six pathways. The model is expected to be used as an analytical tool for investigating and identifying impacts in the planning stage and as a framework for monitoring social groups' responses during the implementation stage of a policy, plan, program, or project (PPPPs).

  11. Incorporating plant fossil data into species distribution models is not straightforward: Pitfalls and possible solutions

    Moreno-Amat, Elena; Rubiales, Juan Manuel; Morales-Molino, César; García-Amorena, Ignacio

    2017-08-01

    The increasing development of species distribution models (SDMs) using palaeodata has created new prospects to address questions of evolution, ecology and biogeography from wider perspectives. Palaeobotanical data provide information on the past distribution of taxa at a given time and place and its incorporation on modelling has contributed to advancing the SDM field. This has allowed, for example, to calibrate models under past climate conditions or to validate projected models calibrated on current species distributions. However, these data also bear certain shortcomings when used in SDMs that may hinder the resulting ecological outcomes and eventually lead to misleading conclusions. Palaeodata may not be equivalent to present data, but instead frequently exhibit limitations and biases regarding species representation, taxonomy and chronological control, and their inclusion in SDMs should be carefully assessed. The limitations of palaeobotanical data applied to SDM studies are infrequently discussed and often neglected in the modelling literature; thus, we argue for the more careful selection and control of these data. We encourage authors to use palaeobotanical data in their SDMs studies and for doing so, we propose some recommendations to improve the robustness, reliability and significance of palaeo-SDM analyses.

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

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

    2017-11-15

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

  13. Incorporating teleconnection information into reservoir operating policies using Stochastic Dynamic Programming and a Hidden Markov Model

    Turner, Sean; Galelli, Stefano; Wilcox, Karen

    2015-04-01

    Water reservoir systems are often affected by recurring large-scale ocean-atmospheric anomalies, known as teleconnections, that cause prolonged periods of climatological drought. Accurate forecasts of these events -- at lead times in the order of weeks and months -- may enable reservoir operators to take more effective release decisions to improve the performance of their systems. In practice this might mean a more reliable water supply system, a more profitable hydropower plant or a more sustainable environmental release policy. To this end, climate indices, which represent the oscillation of the ocean-atmospheric system, might be gainfully employed within reservoir operating models that adapt the reservoir operation as a function of the climate condition. This study develops a Stochastic Dynamic Programming (SDP) approach that can incorporate climate indices using a Hidden Markov Model. The model simulates the climatic regime as a hidden state following a Markov chain, with the state transitions driven by variation in climatic indices, such as the Southern Oscillation Index. Time series analysis of recorded streamflow data reveals the parameters of separate autoregressive models that describe the inflow to the reservoir under three representative climate states ("normal", "wet", "dry"). These models then define inflow transition probabilities for use in a classic SDP approach. The key advantage of the Hidden Markov Model is that it allows conditioning the operating policy not only on the reservoir storage and the antecedent inflow, but also on the climate condition, thus potentially allowing adaptability to a broader range of climate conditions. In practice, the reservoir operator would effect a water release tailored to a specific climate state based on available teleconnection data and forecasts. The approach is demonstrated on the operation of a realistic, stylised water reservoir with carry-over capacity in South-East Australia. Here teleconnections relating

  14. A generalized linear-quadratic model incorporating reciprocal time pattern of radiation damage repair

    Huang, Zhibin; Mayr, Nina A.; Lo, Simon S.; Wang, Jian Z.; Jia Guang; Yuh, William T. C.; Johnke, Roberta

    2012-01-01

    Purpose: It has been conventionally assumed that the repair rate for sublethal damage (SLD) remains constant during the entire radiation course. However, increasing evidence from animal studies suggest that this may not the case. Rather, it appears that the repair rate for radiation-induced SLD slows down with increasing time. Such a slowdown in repair would suggest that the exponential repair pattern would not necessarily accurately predict repair process. As a result, the purpose of this study was to investigate a new generalized linear-quadratic (LQ) model incorporating a repair pattern with reciprocal time. The new formulas were tested with published experimental data. Methods: The LQ model has been widely used in radiation therapy, and the parameter G in the surviving fraction represents the repair process of sublethal damage with T r as the repair half-time. When a reciprocal pattern of repair process was adopted, a closed form of G was derived analytically for arbitrary radiation schemes. The published animal data adopted to test the reciprocal formulas. Results: A generalized LQ model to describe the repair process in a reciprocal pattern was obtained. Subsequently, formulas for special cases were derived from this general form. The reciprocal model showed a better fit to the animal data than the exponential model, particularly for the ED50 data (reduced χ 2 min of 2.0 vs 4.3, p = 0.11 vs 0.006), with the following gLQ parameters: α/β = 2.6-4.8 Gy, T r = 3.2-3.9 h for rat feet skin, and α/β = 0.9 Gy, T r = 1.1 h for rat spinal cord. Conclusions: These results of repair process following a reciprocal time suggest that the generalized LQ model incorporating the reciprocal time of sublethal damage repair shows a better fit than the exponential repair model. These formulas can be used to analyze the experimental and clinical data, where a slowing-down repair process appears during the course of radiation therapy.

  15. Petroacoustic Modelling of Heterolithic Sandstone Reservoirs: A Novel Approach to Gassmann Modelling Incorporating Sedimentological Constraints and NMR Porosity data

    Matthews, S.; Lovell, M.; Davies, S. J.; Pritchard, T.; Sirju, C.; Abdelkarim, A.

    2012-12-01

    Heterolithic or 'shaly' sandstone reservoirs constitute a significant proportion of hydrocarbon resources. Petroacoustic models (a combination of petrophysics and rock physics) enhance the ability to extract reservoir properties from seismic data, providing a connection between seismic and fine-scale rock properties. By incorporating sedimentological observations these models can be better constrained and improved. Petroacoustic modelling is complicated by the unpredictable effects of clay minerals and clay-sized particles on geophysical properties. Such effects are responsible for erroneous results when models developed for "clean" reservoirs - such as Gassmann's equation (Gassmann, 1951) - are applied to heterolithic sandstone reservoirs. Gassmann's equation is arguably the most popular petroacoustic modelling technique in the hydrocarbon industry and is used to model elastic effects of changing reservoir fluid saturations. Successful implementation of Gassmann's equation requires well-constrained drained rock frame properties, which in heterolithic sandstones are heavily influenced by reservoir sedimentology, particularly clay distribution. The prevalent approach to categorising clay distribution is based on the Thomas - Stieber model (Thomas & Stieber, 1975), this approach is inconsistent with current understanding of 'shaly sand' sedimentology and omits properties such as sorting and grain size. The novel approach presented here demonstrates that characterising reservoir sedimentology constitutes an important modelling phase. As well as incorporating sedimentological constraints, this novel approach also aims to improve drained frame moduli estimates through more careful consideration of Gassmann's model assumptions and limitations. A key assumption of Gassmann's equation is a pore space in total communication with movable fluids. This assumption is often violated by conventional applications in heterolithic sandstone reservoirs where effective porosity, which

  16. A neural population model incorporating dopaminergic neurotransmission during complex voluntary behaviors.

    Stefan Fürtinger

    2014-11-01

    Full Text Available Assessing brain activity during complex voluntary motor behaviors that require the recruitment of multiple neural sites is a field of active research. Our current knowledge is primarily based on human brain imaging studies that have clear limitations in terms of temporal and spatial resolution. We developed a physiologically informed non-linear multi-compartment stochastic neural model to simulate functional brain activity coupled with neurotransmitter release during complex voluntary behavior, such as speech production. Due to its state-dependent modulation of neural firing, dopaminergic neurotransmission plays a key role in the organization of functional brain circuits controlling speech and language and thus has been incorporated in our neural population model. A rigorous mathematical proof establishing existence and uniqueness of solutions to the proposed model as well as a computationally efficient strategy to numerically approximate these solutions are presented. Simulated brain activity during the resting state and sentence production was analyzed using functional network connectivity, and graph theoretical techniques were employed to highlight differences between the two conditions. We demonstrate that our model successfully reproduces characteristic changes seen in empirical data between the resting state and speech production, and dopaminergic neurotransmission evokes pronounced changes in modeled functional connectivity by acting on the underlying biological stochastic neural model. Specifically, model and data networks in both speech and rest conditions share task-specific network features: both the simulated and empirical functional connectivity networks show an increase in nodal influence and segregation in speech over the resting state. These commonalities confirm that dopamine is a key neuromodulator of the functional connectome of speech control. Based on reproducible characteristic aspects of empirical data, we suggest a number

  17. Incorporating Single-nucleotide Polymorphisms Into the Lyman Model to Improve Prediction of Radiation Pneumonitis

    Tucker, Susan L., E-mail: sltucker@mdanderson.org [Department of Bioinformatics and Computational Biology, University of Texas MD Anderson Cancer Center, Houston, Texas (United States); Li Minghuan [Department of Radiation Oncology, Shandong Cancer Hospital, Jinan, Shandong (China); Xu Ting; Gomez, Daniel [Department of Radiation Oncology, University of Texas MD Anderson Cancer Center, Houston, Texas (United States); Yuan Xianglin [Department of Oncology, Tongji Hospital, Tongji Medical College, Huazhong University of Science and Technology, Wuhan (China); Yu Jinming [Department of Radiation Oncology, Shandong Cancer Hospital, Jinan, Shandong (China); Liu Zhensheng; Yin Ming; Guan Xiaoxiang; Wang Lie; Wei Qingyi [Department of Epidemiology, University of Texas MD Anderson Cancer Center, Houston, Texas (United States); Mohan, Radhe [Department of Radiation Physics, University of Texas MD Anderson Cancer Center, Houston, Texas (United States); Vinogradskiy, Yevgeniy [University of Colorado School of Medicine, Aurora, Colorado (United States); Martel, Mary [Department of Radiation Physics, University of Texas MD Anderson Cancer Center, Houston, Texas (United States); Liao Zhongxing [Department of Radiation Oncology, University of Texas MD Anderson Cancer Center, Houston, Texas (United States)

    2013-01-01

    Purpose: To determine whether single-nucleotide polymorphisms (SNPs) in genes associated with DNA repair, cell cycle, transforming growth factor-{beta}, tumor necrosis factor and receptor, folic acid metabolism, and angiogenesis can significantly improve the fit of the Lyman-Kutcher-Burman (LKB) normal-tissue complication probability (NTCP) model of radiation pneumonitis (RP) risk among patients with non-small cell lung cancer (NSCLC). Methods and Materials: Sixteen SNPs from 10 different genes (XRCC1, XRCC3, APEX1, MDM2, TGF{beta}, TNF{alpha}, TNFR, MTHFR, MTRR, and VEGF) were genotyped in 141 NSCLC patients treated with definitive radiation therapy, with or without chemotherapy. The LKB model was used to estimate the risk of severe (grade {>=}3) RP as a function of mean lung dose (MLD), with SNPs and patient smoking status incorporated into the model as dose-modifying factors. Multivariate analyses were performed by adding significant factors to the MLD model in a forward stepwise procedure, with significance assessed using the likelihood-ratio test. Bootstrap analyses were used to assess the reproducibility of results under variations in the data. Results: Five SNPs were selected for inclusion in the multivariate NTCP model based on MLD alone. SNPs associated with an increased risk of severe RP were in genes for TGF{beta}, VEGF, TNF{alpha}, XRCC1 and APEX1. With smoking status included in the multivariate model, the SNPs significantly associated with increased risk of RP were in genes for TGF{beta}, VEGF, and XRCC3. Bootstrap analyses selected a median of 4 SNPs per model fit, with the 6 genes listed above selected most often. Conclusions: This study provides evidence that SNPs can significantly improve the predictive ability of the Lyman MLD model. With a small number of SNPs, it was possible to distinguish cohorts with >50% risk vs <10% risk of RP when they were exposed to high MLDs.

  18. Preparation and Properties of Polyester-Based Nanocomposite Gel Coat System

    P. Jawahar

    2006-01-01

    Full Text Available Nanocomposite gel coat system is prepared using unsaturated polyester resin with aerosil powder, CaCO3, and organoclay. The influence of organoclay addition on mechanical and water barrier properties of gel coat system is studied for different amount (1, 2, and 3 wt % of organoclay. The nanolevel incorporation of organoclay improves the mechanical and water barrier properties of nanocomposite gel coat system. The nanocomposite gel coat system exhibits 55% improvement in tensile modulus and 25% improvement in flexural modulus. There is a 30% improvement in impact property of nanocomposite gel coat system. The dynamic mechanical analysis shows a slight increase in glass transition temperature for nanocomposite gel coat system.

  19. Constraining Distributed Catchment Models by Incorporating Perceptual Understanding of Spatial Hydrologic Behaviour

    Hutton, Christopher; Wagener, Thorsten; Freer, Jim; Han, Dawei

    2016-04-01

    Distributed models offer the potential to resolve catchment systems in more detail, and therefore simulate the hydrological impacts of spatial changes in catchment forcing (e.g. landscape change). Such models tend to contain a large number of poorly defined and spatially varying model parameters which are therefore computationally expensive to calibrate. Insufficient data can result in model parameter and structural equifinality, particularly when calibration is reliant on catchment outlet discharge behaviour alone. Evaluating spatial patterns of internal hydrological behaviour has the potential to reveal simulations that, whilst consistent with measured outlet discharge, are qualitatively dissimilar to our perceptual understanding of how the system should behave. We argue that such understanding, which may be derived from stakeholder knowledge across different catchments for certain process dynamics, is a valuable source of information to help reject non-behavioural models, and therefore identify feasible model structures and parameters. The challenge, however, is to convert different sources of often qualitative and/or semi-qualitative information into robust quantitative constraints of model states and fluxes, and combine these sources of information together to reject models within an efficient calibration framework. Here we present the development of a framework to incorporate different sources of data to efficiently calibrate distributed catchment models. For each source of information, an interval or inequality is used to define the behaviour of the catchment system. These intervals are then combined to produce a hyper-volume in state space, which is used to identify behavioural models. We apply the methodology to calibrate the Penn State Integrated Hydrological Model (PIHM) at the Wye catchment, Plynlimon, UK. Outlet discharge behaviour is successfully simulated when perceptual understanding of relative groundwater levels between lowland peat, upland peat

  20. Electrochromic nanocomposite films

    Milliron, Delia; Llordes, Anna; Buonsanti, Raffaella; Garcia, Guillermo

    2018-04-10

    The present invention provides an electrochromic nanocomposite film. In an exemplary embodiment, the electrochromic nanocomposite film, includes (1) a solid matrix of oxide based material and (2) transparent conducting oxide (TCO) nanostructures embedded in the matrix. In a further embodiment, the electrochromic nanocomposite film farther includes a substrate upon which the matrix is deposited. The present invention also provides a method of preparing an electrochromic nanocomposite film.

  1. Electrospun Borneol-PVP Nanocomposites

    Xiao-Yan Li

    2012-01-01

    Full Text Available The present work investigates the validity of electrospun borneol-polyvinylpyrrolidone (PVP nanocomposites in enhancing drug dissolution rates and improving drug physical stability. Based on hydrogen bonding interactions and via an electrospinning process, borneol and PVP can form stable nanofiber-based composites. FESEM observations demonstrate that composite nanofibers with uniform structure could be generated with a high content of borneol up to 33.3% (w/w. Borneol is well distributed in the PVP matrix molecularly to form the amorphous composites, as verified by DSC and XRD results. The composites can both enhance the dissolution profiles of borneol and increase its physical stability against sublimation for long-time storage by immobilization of borneol molecules with PVP. The incorporation of borneol in the PVP matrix weakens the tensile properties of nanofibers, and the mechanism is discussed. Electrospun nanocomposites can be alternative candidates for developing novel nano-drug delivery systems with high performance.

  2. Incorporation of defects into the central atoms model of a metallic glass

    Lass, Eric A.; Zhu Aiwu; Shiflet, G.J.; Joseph Poon, S.

    2011-01-01

    The central atoms model (CAM) of a metallic glass is extended to incorporate thermodynamically stable defects, similar to vacancies in a crystalline solid, within the amorphous structure. A bond deficiency (BD), which is the proposed defect present in all metallic glasses, is introduced into the CAM equations. Like vacancies in a crystalline solid, BDs are thermodynamically stable entities because of the increase in entropy associated with their creation, and there is an equilibrium concentration present in the glassy phase. When applied to Cu-Zr and Ni-Zr binary metallic glasses, the concentration of thermally induced BDs surrounding Zr atoms reaches a relatively constant value at the glass transition temperature, regardless of composition within a given glass system. Using this 'critical' defect concentration, the predicted temperatures at which the glass transition is expected to occur are in good agreement with the experimentally determined glass transition temperatures for both alloy systems.

  3. A Microdosimetric-Kinetic Model of Cell Killing by Irradiation from Permanently Incorporated Radionuclides.

    Hawkins, Roland B

    2018-01-01

    An expression for the surviving fraction of a replicating population of cells exposed to permanently incorporated radionuclide is derived from the microdosimetric-kinetic model. It includes dependency on total implant dose, linear energy transfer (LET), decay rate of the radionuclide, the repair rate of potentially lethal lesions in DNA and the volume doubling time of the target population. This is used to obtain an expression for the biologically effective dose ( BED α / β ) based on the minimum survival achieved by the implant that is equivalent to, and can be compared and combined with, the BED α / β calculated for a fractionated course of radiation treatment. Approximate relationships are presented that are useful in the calculation of BED α / β for alpha- or beta-emitting radionuclides with half-life significantly greater than, or nearly equal to, the approximately 1-h repair half-life of radiation-induced potentially lethal lesions.

  4. Efficient photodecomposition of herbicide imazapyr over mesoporous Ga2O3-TiO2 nanocomposites.

    Ismail, Adel A; Abdelfattah, Ibrahim; Faisal, M; Helal, Ahmed

    2018-01-15

    The unabated release of herbicide imazapyr into the soil and groundwater led to crop destruction and several pollution-related concerns. In this contribution, heterogeneous photocatalytic technique was employed utilizing mesoporous Ga 2 O 3 -TiO 2 nanocomposites for degrading imazapyr herbicide as a model pollutant molecule. Mesoporous Ga 2 O 3 -TiO 2 nanocomposites with varied Ga 2 O 3 contents (0-5wt%) were synthesized through sol-gel process. XRD and Raman spectra exhibited extremely crystalline anatase TiO 2 phase at low Ga 2 O 3 content which gradually reduced with the increase of Ga 2 O 3 content. TEM images display uniform TiO 2 particles (10±2nm) with mesoporous structure. The mesoporous TiO 2 exhibits large surface areas of 167m 2 g -1 , diminished to 108m 2 g -1 upon 5% Ga 2 O 3 incorporation, with tunable mesopore diameter in the range of 3-9nm. The photocatalytic efficiency of synthesized Ga 2 O 3 -TiO 2 nanocomposites was assessed by degrading imazapyr herbicide and comparing with commercial photocatalyst UV-100 and mesoporous Ga 2 O 3 under UV illumination. 0.1% Ga 2 O 3 -TiO 2 nanocomposite is considered the optimum photocatalyst, which degrades 98% of imazapyr herbicide within 180min. Also, the photodegradation rate of imazapyr using 0.1% Ga 2 O 3 -TiO 2 nanocomposite is nearly 10 and 3-fold higher than that of mesoporous Ga 2 O 3 and UV-100, respectively. The high photonic efficiency and long-term stability of the mesoporous Ga 2 O 3 -TiO 2 nanocomposites are ascribed to its stronger oxidative capability in comparison with either mesoporous TiO 2 , Ga 2 O 3 or commercial UV-100. Copyright © 2017 Elsevier B.V. All rights reserved.

  5. Incorporation of Hydrogen Bond Angle Dependency into the Generalized Solvation Free Energy Density Model.

    Ma, Songling; Hwang, Sungbo; Lee, Sehan; Acree, William E; No, Kyoung Tai

    2018-04-23

    To describe the physically realistic solvation free energy surface of a molecule in a solvent, a generalized version of the solvation free energy density (G-SFED) calculation method has been developed. In the G-SFED model, the contribution from the hydrogen bond (HB) between a solute and a solvent to the solvation free energy was calculated as the product of the acidity of the donor and the basicity of the acceptor of an HB pair. The acidity and basicity parameters of a solute were derived using the summation of acidities and basicities of the respective acidic and basic functional groups of the solute, and that of the solvent was experimentally determined. Although the contribution of HBs to the solvation free energy could be evenly distributed to grid points on the surface of a molecule, the G-SFED model was still inadequate to describe the angle dependency of the HB of a solute with a polarizable continuum solvent. To overcome this shortcoming of the G-SFED model, the contribution of HBs was formulated using the geometric parameters of the grid points described in the HB coordinate system of the solute. We propose an HB angle dependency incorporated into the G-SFED model, i.e., the G-SFED-HB model, where the angular-dependent acidity and basicity densities are defined and parametrized with experimental data. The G-SFED-HB model was then applied to calculate the solvation free energies of organic molecules in water, various alcohols and ethers, and the log P values of diverse organic molecules, including peptides and a protein. Both the G-SFED model and the G-SFED-HB model reproduced the experimental solvation free energies with similar accuracy, whereas the distributions of the SFED on the molecular surface calculated by the G-SFED and G-SFED-HB models were quite different, especially for molecules having HB donors or acceptors. Since the angle dependency of HBs was included in the G-SFED-HB model, the SFED distribution of the G-SFED-HB model is well described

  6. A Non-Isothermal Chemical Lattice Boltzmann Model Incorporating Thermal Reaction Kinetics and Enthalpy Changes

    Stuart Bartlett

    2017-08-01

    Full Text Available The lattice Boltzmann method is an efficient computational fluid dynamics technique that can accurately model a broad range of complex systems. As well as single-phase fluids, it can simulate thermohydrodynamic systems and passive scalar advection. In recent years, it also gained attention as a means of simulating chemical phenomena, as interest in self-organization processes increased. This paper will present a widely-used and versatile lattice Boltzmann model that can simultaneously incorporate fluid dynamics, heat transfer, buoyancy-driven convection, passive scalar advection, chemical reactions and enthalpy changes. All of these effects interact in a physically accurate framework that is simple to code and readily parallelizable. As well as a complete description of the model equations, several example systems will be presented in order to demonstrate the accuracy and versatility of the method. New simulations, which analyzed the effect of a reversible reaction on the transport properties of a convecting fluid, will also be described in detail. This extra chemical degree of freedom was utilized by the system to augment its net heat flux. The numerical method outlined in this paper can be readily deployed for a vast range of complex flow problems, spanning a variety of scientific disciplines.

  7. Incorporation of a Wind Generator Model into a Dynamic Power Flow Analysis

    Angeles-Camacho C.

    2011-07-01

    Full Text Available Wind energy is nowadays one of the most cost-effective and practical options for electric generation from renewable resources. However, increased penetration of wind generation causes the power networks to be more depend on, and vulnerable to, the varying wind speed. Modeling is a tool which can provide valuable information about the interaction between wind farms and the power network to which they are connected. This paper develops a realistic characterization of a wind generator. The wind generator model is incorporated into an algorithm to investigate its contribution to the stability of the power network in the time domain. The tool obtained is termed dynamic power flow. The wind generator model takes on account the wind speed and the reactive power consumption by induction generators. Dynamic power flow analysis is carried-out using real wind data at 10-minute time intervals collected for one meteorological station. The generation injected at one point into the network provides active power locally and is found to reduce global power losses. However, the power supplied is time-varying and causes fluctuations in voltage magnitude and power fl ows in transmission lines.

  8. Incorporating an extended dendritic growth model into the CAFE model for rapidly solidified non-dilute alloys

    Ma, Jie; Wang, Bo; Zhao, Shunli; Wu, Guangxin; Zhang, Jieyu; Yang, Zhiliang

    2016-01-01

    We have extended the dendritic growth model first proposed by Boettinger, Coriell and Trivedi (here termed EBCT) for microstructure simulations of rapidly solidified non-dilute alloys. The temperature-dependent distribution coefficient, obtained from calculations of phase equilibria, and the continuous growth model (CGM) were adopted in the present EBCT model to describe the solute trapping behaviors. The temperature dependence of the physical properties, which were not used in previous dendritic growth models, were also considered in the present EBCT model. These extensions allow the present EBCT model to be used for microstructure simulations of non-dilute alloys. The comparison of the present EBCT model with the BCT model proves that the considerations of the distribution coefficient and physical properties are necessary for microstructure simulations, especially for small particles with high undercoolings. Finally, the EBCT model was incorporated into the cellular automaton-finite element (CAFE) model to simulate microstructures of gas-atomized ASP30 high speed steel particles that were then compared with experimental results. Both the simulated and experimental results reveal that a columnar dendritic microstructure preferentially forms in small particles and an equiaxed microstructure forms otherwise. The applications of the present EBCT model provide a convenient way to predict the microstructure of non-dilute alloys. - Highlights: • A dendritic growth model was developed considering non-equilibrium distribution coefficient. • The physical properties with temperature dependence were considered in the extended model. • The extended model can be used to non-dilute alloys and the extensions are necessary in small particles. • Microstructure of ASP30 steel was investigated using the present model and verified by experiment.

  9. Incorporating an extended dendritic growth model into the CAFE model for rapidly solidified non-dilute alloys

    Ma, Jie; Wang, Bo [State Key Laboratory of Advanced Special Steel, Shanghai University, Shanghai 200072 (China); Shanghai Engineering Technology Research Center of Special Casting, Shanghai 201605 (China); Zhao, Shunli [Research Institute, Baoshan Iron & Steel Co., Ltd, Shanghai 201900 (China); Wu, Guangxin [State Key Laboratory of Advanced Special Steel, Shanghai University, Shanghai 200072 (China); Shanghai Engineering Technology Research Center of Special Casting, Shanghai 201605 (China); Zhang, Jieyu, E-mail: zjy6162@staff.shu.edu.cn [State Key Laboratory of Advanced Special Steel, Shanghai University, Shanghai 200072 (China); Shanghai Engineering Technology Research Center of Special Casting, Shanghai 201605 (China); Yang, Zhiliang [State Key Laboratory of Advanced Special Steel, Shanghai University, Shanghai 200072 (China); Shanghai Engineering Technology Research Center of Special Casting, Shanghai 201605 (China)

    2016-05-25

    We have extended the dendritic growth model first proposed by Boettinger, Coriell and Trivedi (here termed EBCT) for microstructure simulations of rapidly solidified non-dilute alloys. The temperature-dependent distribution coefficient, obtained from calculations of phase equilibria, and the continuous growth model (CGM) were adopted in the present EBCT model to describe the solute trapping behaviors. The temperature dependence of the physical properties, which were not used in previous dendritic growth models, were also considered in the present EBCT model. These extensions allow the present EBCT model to be used for microstructure simulations of non-dilute alloys. The comparison of the present EBCT model with the BCT model proves that the considerations of the distribution coefficient and physical properties are necessary for microstructure simulations, especially for small particles with high undercoolings. Finally, the EBCT model was incorporated into the cellular automaton-finite element (CAFE) model to simulate microstructures of gas-atomized ASP30 high speed steel particles that were then compared with experimental results. Both the simulated and experimental results reveal that a columnar dendritic microstructure preferentially forms in small particles and an equiaxed microstructure forms otherwise. The applications of the present EBCT model provide a convenient way to predict the microstructure of non-dilute alloys. - Highlights: • A dendritic growth model was developed considering non-equilibrium distribution coefficient. • The physical properties with temperature dependence were considered in the extended model. • The extended model can be used to non-dilute alloys and the extensions are necessary in small particles. • Microstructure of ASP30 steel was investigated using the present model and verified by experiment.

  10. A multi-period, multi-regional generation expansion planning model incorporating unit commitment constraints

    Koltsaklis, Nikolaos E.; Georgiadis, Michael C.

    2015-01-01

    Highlights: • A short-term structured investment planning model has been developed. • Unit commitment problem is incorporated into the long-term planning horizon. • Inherent intermittency of renewables is modelled in a comprehensive way. • The impact of CO_2 emission pricing in long-term investment decisions is quantified. • The evolution of system’s marginal price is evaluated for all the planning horizon. - Abstract: This work presents a generic mixed integer linear programming (MILP) model that integrates the unit commitment problem (UCP), i.e., daily energy planning with the long-term generation expansion planning (GEP) framework. Typical daily constraints at an hourly level such as start-up and shut-down related decisions (start-up type, minimum up and down time, synchronization, soak and desynchronization time constraints), ramping limits, system reserve requirements are combined with representative yearly constraints such as power capacity additions, power generation bounds of each unit, peak reserve requirements, and energy policy issues (renewables penetration limits, CO_2 emissions cap and pricing). For modelling purposes, a representative day (24 h) of each month over a number of years has been employed in order to determine the optimal capacity additions, electricity market clearing prices, and daily operational planning of the studied power system. The model has been tested on an illustrative case study of the Greek power system. Our approach aims to provide useful insight into strategic and challenging decisions to be determined by investors and/or policy makers at a national and/or regional level by providing the optimal energy roadmap under real operating and design constraints.

  11. Enhanced Conductivity at the Interface of Li2O ratio B2O3 Nanocomposites: Atomistic Models

    Islam, Mazharul M.; Bredow, Thomas; Indris, Sylvio; Heitjans, Paul

    2007-01-01

    A theoretical investigation at density-functional level of Li ion conduction at the interfaces in Li 2 O ratio B 2 O 3 nanocomposites is presented. The structural disorder at the Li 2 O(111) ratio B 2 O 3 (001) interface leads to reduced defect formation energies for Li vacancies and Frenkel defects compared to Li 2 O surfaces. The average activation energy for Li + diffusion in the interface region is in the range of the values for Li 2 O. It is therefore concluded that the enhanced Li conductivity of Li 2 O ratio B 2 O 3 nanocomposites is mainly due to the increased defect concentration

  12. Enhanced magnetic behavior, exchange bias effect, and dielectric property of BiFeO3 incorporated in (BiFeO30.50 (Co0.4Zn0.4Cu0.2 Fe2O40.5 nanocomposite

    K. Mukhopadhyay

    2014-03-01

    Full Text Available Nanoparticles of BiFeO3 (BFO are incorporated in the nanocomposite of (BiFeO30.50 (Co0.4Zn0.4Cu0.2 Fe2O40.5, (BFO-CZCF and these are prepared by chemical route. The formation of pure crystallographic phase of each component (BFO and CZCF in the nanocomposite of BFO-CZCF has been confirmed by Rietveld analysis of the X-ray diffractograms using FULLPROF program. Morphology, average particle size and its distribution, crystallographic phase etc. are obtained from the high-resolution transmission electron microscopy of BFO-CZCF. Magnetic measurements of BFO-CZCF have been carried out to explore the modulation of magnetic behavior of BFO in BFO-CZCF. Interestingly, magnetization of BFO-CZCF has been drastically enhanced compared to that of the pristine BFO. An exchange bias effect is also observed in the M vs. H loops of BFO-CZCF recorded in field cooled and zero field cooled conditions, which suggest that nanoparticles of BFO (AFM are encapsulated by nanoparticles of CZCF (FM in BFO-CZCF. Thermal variation of dielectric constant of BFO-CZCF is recorded in the range of 300 to 1073 K and a ferroelectric to paraelectric transition is observed at ∼728 K. Enhanced magnetic property of BFO would quite interesting for this important multiferroic.

  13. Incorporating H2 Dynamics and Inhibition into a Microbially Based Methanogenesis Model for Restored Wetland Sediments

    Pal, David; Jaffe, Peter

    2015-04-01

    Estimates of global CH4 emissions from wetlands indicate that wetlands are the largest natural source of CH4 to the atmosphere. In this paper, we propose that there is a missing component to these models that should be addressed. CH4 is produced in wetland sediments from the microbial degradation of organic carbon through multiple fermentation steps and methanogenesis pathways. There are multiple sources of carbon for methananogenesis; in vegetated wetland sediments, microbial communities consume root exudates as a major source of organic carbon. In many methane models propionate is used as a model carbon molecule. This simple sugar is fermented into acetate and H2, acetate is transformed to methane and CO2, while the H2 and CO2 are used to form an additional CH4 molecule. The hydrogenotrophic pathway involves the equilibrium of two dissolved gases, CH4 and H2. In an effort to limit CH4 emissions from wetlands, there has been growing interest in finding ways to limit plant transport of soil gases through root systems. Changing planted species, or genetically modifying new species of plants may control this transport of soil gases. While this may decrease the direct emissions of methane, there is little understanding about how H2 dynamics may feedback into overall methane production. The results of an incubation study were combined with a new model of propionate degradation for methanogenesis that also examines other natural parameters (i.e. gas transport through plants). This presentation examines how we would expect this model to behave in a natural field setting with changing sulfate and carbon loading schemes. These changes can be controlled through new plant species and other management practices. Next, we compare the behavior of two variations of this model, with or without the incorporation of H2 interactions, with changing sulfate, carbon loading and root volatilization. Results show that while the models behave similarly there may be a discrepancy of nearly

  14. An Insilico Design of Nanoclay Based Nanocomposites and Scaffolds in Bone Tissue Engineering

    Sharma, Anurag

    A multiscale in silico approach to design polymer nanocomposites and scaffolds for bone tissue engineering applications is described in this study. This study focuses on the role of biomaterials design and selection, structural integrity and mechanical properties evolution during degradation and tissue regeneration in the successful design of polymer nanocomposite scaffolds. Polymer nanocomposite scaffolds are synthesized using aminoacid modified montmorillonite nanoclay with biomineralized hydroxyapatite and polycaprolactone (PCL/in situ HAPclay). Representative molecular models of polymer nanocomposite system are systematically developed using molecular dynamics (MD) technique and successfully validated using material characterization techniques. The constant force steered molecular dynamics (fSMD) simulation results indicate a two-phase nanomechanical behavior of the polymer nanocomposite. The MD and fSMD simulations results provide quantitative contributions of molecular interactions between different constituents of representative models and their effect on nanomechanical responses of nanoclay based polymer nanocomposite system. A finite element (FE) model of PCL/in situ HAPclay scaffold is built using micro-computed tomography images and bridging the nanomechanical properties obtained from fSMD simulations into the FE model. A new reduction factor, K is introduced into modeling results to consider the effect of wall porosity of the polymer scaffold. The effect of accelerated degradation under alkaline conditions and human osteoblast cells culture on the evolution of mechanical properties of scaffolds are studied and the damage mechanics based analytical models are developed. Finally, the novel multiscale models are developed that incorporate the complex molecular and microstructural properties, mechanical properties at nanoscale and structural levels and mechanical properties evolution during degradation and tissue formation in the polymer nanocomposite

  15. Estimating disperser abundance using open population models that incorporate data from continuous detection PIT arrays

    Dzul, Maria C.; Yackulic, Charles B.; Korman, Josh

    2017-01-01

    Autonomous passive integrated transponder (PIT) tag antenna systems continuously detect individually marked organisms at one or more fixed points over long time periods. Estimating abundance using data from autonomous antennae can be challenging, because these systems do not detect unmarked individuals. Here we pair PIT antennae data from a tributary with mark-recapture sampling data in a mainstem river to estimate the number of fish moving from the mainstem to the tributary. We then use our model to estimate abundance of non-native rainbow trout Oncorhynchus mykiss that move from the Colorado River to the Little Colorado River (LCR), the latter of which is important spawning and rearing habitat for federally-endangered humpback chub Gila cypha. We estimate 226 rainbow trout (95% CI: 127-370) entered the LCR from October 2013-April 2014. We discuss the challenges of incorporating detections from autonomous PIT antenna systems into mark-recapture population models, particularly in regards to using information about spatial location to estimate movement and detection probabilities.

  16. Incorporating a Wheeled Vehicle Model in a New Monocular Visual Odometry Algorithm for Dynamic Outdoor Environments

    Jiang, Yanhua; Xiong, Guangming; Chen, Huiyan; Lee, Dah-Jye

    2014-01-01

    This paper presents a monocular visual odometry algorithm that incorporates a wheeled vehicle model for ground vehicles. The main innovation of this algorithm is to use the single-track bicycle model to interpret the relationship between the yaw rate and side slip angle, which are the two most important parameters that describe the motion of a wheeled vehicle. Additionally, the pitch angle is also considered since the planar-motion hypothesis often fails due to the dynamic characteristics of wheel suspensions and tires in real-world environments. Linearization is used to calculate a closed-form solution of the motion parameters that works as a hypothesis generator in a RAndom SAmple Consensus (RANSAC) scheme to reduce the complexity in solving equations involving trigonometric. All inliers found are used to refine the winner solution through minimizing the reprojection error. Finally, the algorithm is applied to real-time on-board visual localization applications. Its performance is evaluated by comparing against the state-of-the-art monocular visual odometry methods using both synthetic data and publicly available datasets over several kilometers in dynamic outdoor environments. PMID:25256109

  17. Incorporating Measurement Error from Modeled Air Pollution Exposures into Epidemiological Analyses.

    Samoli, Evangelia; Butland, Barbara K

    2017-12-01

    Outdoor air pollution exposures used in epidemiological studies are commonly predicted from spatiotemporal models incorporating limited measurements, temporal factors, geographic information system variables, and/or satellite data. Measurement error in these exposure estimates leads to imprecise estimation of health effects and their standard errors. We reviewed methods for measurement error correction that have been applied in epidemiological studies that use model-derived air pollution data. We identified seven cohort studies and one panel study that have employed measurement error correction methods. These methods included regression calibration, risk set regression calibration, regression calibration with instrumental variables, the simulation extrapolation approach (SIMEX), and methods under the non-parametric or parameter bootstrap. Corrections resulted in small increases in the absolute magnitude of the health effect estimate and its standard error under most scenarios. Limited application of measurement error correction methods in air pollution studies may be attributed to the absence of exposure validation data and the methodological complexity of the proposed methods. Future epidemiological studies should consider in their design phase the requirements for the measurement error correction method to be later applied, while methodological advances are needed under the multi-pollutants setting.

  18. Incorporating a Wheeled Vehicle Model in a New Monocular Visual Odometry Algorithm for Dynamic Outdoor Environments

    Yanhua Jiang

    2014-09-01

    Full Text Available This paper presents a monocular visual odometry algorithm that incorporates a wheeled vehicle model for ground vehicles. The main innovation of this algorithm is to use the single-track bicycle model to interpret the relationship between the yaw rate and side slip angle, which are the two most important parameters that describe the motion of a wheeled vehicle. Additionally, the pitch angle is also considered since the planar-motion hypothesis often fails due to the dynamic characteristics of wheel suspensions and tires in real-world environments. Linearization is used to calculate a closed-form solution of the motion parameters that works as a hypothesis generator in a RAndom SAmple Consensus (RANSAC scheme to reduce the complexity in solving equations involving trigonometric. All inliers found are used to refine the winner solution through minimizing the reprojection error. Finally, the algorithm is applied to real-time on-board visual localization applications. Its performance is evaluated by comparing against the state-of-the-art monocular visual odometry methods using both synthetic data and publicly available datasets over several kilometers in dynamic outdoor environments.

  19. Exciton delocalization incorporated drift-diffusion model for bulk-heterojunction organic solar cells

    Wang, Zi Shuai; Sha, Wei E. I.; Choy, Wallace C. H.

    2016-12-01

    Modeling the charge-generation process is highly important to understand device physics and optimize power conversion efficiency of bulk-heterojunction organic solar cells (OSCs). Free carriers are generated by both ultrafast exciton delocalization and slow exciton diffusion and dissociation at the heterojunction interface. In this work, we developed a systematic numerical simulation to describe the charge-generation process by a modified drift-diffusion model. The transport, recombination, and collection of free carriers are incorporated to fully capture the device response. The theoretical results match well with the state-of-the-art high-performance organic solar cells. It is demonstrated that the increase of exciton delocalization ratio reduces the energy loss in the exciton diffusion-dissociation process, and thus, significantly improves the device efficiency, especially for the short-circuit current. By changing the exciton delocalization ratio, OSC performances are comprehensively investigated under the conditions of short-circuit and open-circuit. Particularly, bulk recombination dependent fill factor saturation is unveiled and understood. As a fundamental electrical analysis of the delocalization mechanism, our work is important to understand and optimize the high-performance OSCs.

  20. Evaluation of five dry particle deposition parameterizations for incorporation into atmospheric transport models

    Khan, Tanvir R.; Perlinger, Judith A.

    2017-10-01

    the three most influential parameters in all parameterizations. For giant particles (dp = 10 µm), relative humidity was the most influential parameter. Because it is the least complex of the five parameterizations, and it has the greatest accuracy and least uncertainty, we propose that the ZH14 parameterization is currently superior for incorporation into atmospheric transport models.

  1. Evaluation of five dry particle deposition parameterizations for incorporation into atmospheric transport models

    T. R. Khan

    2017-10-01

    µm, friction velocity was one of the three most influential parameters in all parameterizations. For giant particles (dp  =  10 µm, relative humidity was the most influential parameter. Because it is the least complex of the five parameterizations, and it has the greatest accuracy and least uncertainty, we propose that the ZH14 parameterization is currently superior for incorporation into atmospheric transport models.

  2. Spinal motor control system incorporates an internal model of limb dynamics.

    Shimansky, Y P

    2000-10-01

    The existence and utilization of an internal representation of the controlled object is one of the most important features of the functioning of neural motor control systems. This study demonstrates that this property already exists at the level of the spinal motor control system (SMCS), which is capable of generating motor patterns for reflex rhythmic movements, such as locomotion and scratching, without the aid of the peripheral afferent feedback, but substantially modifies the generated activity in response to peripheral afferent stimuli. The SMCS is presented as an optimal control system whose optimality requires that it incorporate an internal model (IM) of the controlled object's dynamics. A novel functional mechanism for the integration of peripheral sensory signals with the corresponding predictive output from the IM, the summation of information precision (SIP) is proposed. In contrast to other models in which the correction of the internal representation of the controlled object's state is based on the calculation of a mismatch between the internal and external information sources, the SIP mechanism merges the information from these sources in order to optimize the precision of the controlled object's state estimate. It is demonstrated, based on scratching in decerebrate cats as an example of the spinal control of goal-directed movements, that the results of computer modeling agree with the experimental observations related to the SMCS's reactions to phasic and tonic peripheral afferent stimuli. It is also shown that the functional requirements imposed by the mathematical model of the SMCS comply with the current knowledge about the related properties of spinal neuronal circuitry. The crucial role of the spinal presynaptic inhibition mechanism in the neuronal implementation of SIP is elucidated. Important differences between the IM and a state predictor employed for compensating for a neural reflex time delay are discussed.

  3. Incorporating Geochemical And Microbial Kinetics In Reactive Transport Models For Generation Of Acid Rock Drainage

    Andre, B. J.; Rajaram, H.; Silverstein, J.

    2010-12-01

    diffusion model at the scale of a single rock is developed incorporating the proposed kinetic rate expressions. Simulations of initiation, washout and AMD flows are discussed to gain a better understanding of the role of porosity, effective diffusivity and reactive surface area in generating AMD. Simulations indicate that flow boundary conditions control generation of acid rock drainage as porosity increases.

  4. Development of multifunctional fluoroelastomers based on nanocomposites

    Zen, Heloisa Augusto

    2015-01-01

    The fluoropolymers are known for their great mechanical properties, high thermal stability and resistance to aggressive chemical environment, and because of those properties they are widely used in industries, such as automobile, petroleum, chemistry, manufacturing, among others. To improve the thermal properties and gases barrier of the polymeric matrix, the incorporation of nanoparticle is used, this process permits the polymer to maintain their own characteristics and acquire new properties of nanoparticle. Because of those properties, the structural and morphological modification of fluoropolymers are very hard to be obtained through traditional techniques, in order to surmount this difficulty, the ionizing radiation is a well-known and effective method to modify fluoropolymers structures. In this thesis a nanocomposite polymeric based on fluoroelastomer (FKM) was developed and incorporated with four different configurations of nanoparticles: clay Cloisite 15A, POSS 1159, POSS 1160 and POSS 1163. After the nanocomposites films were obtained, a radiation induced grafting process was carried out, followed by sulfonation in order to obtain a ionic exchanged membrane. The effect of nanoparticle incorporation and the ionizing radiation onto films were characterized by X-ray diffraction, thermal and mechanical analysis, scanning electron microscopy and swelling; and the membranes were evaluated by degree of grafting, ionic exchange capacity and swelling. After the films were characterized, the crosslinking effect was observed to be predominant for the nanocomposites irradiated before the vulcanization, whereas the degradation was the predominant effect in the nanocomposites irradiated after vulcanization. (author)

  5. Nanocomposites: The End of Compromise

    van Damme, H.

    Increase the Young's modulus of a glassy resin by a factor of ten without making it heavier, for a new ski design, for example? Triple the rupture strength of an elastomer? Improve the thermal behaviour of an object made from a thermoplastic polymer by 100 degrees, to make a car dashboard, for example, or a part for the engine? Double the fire resistance time for the sheath around an electricity cable? Reduce the oxygen permeability of a film by a factor of ten, to make long conservation food packaging? All these things have been made possible by incorporating a few percent of inorganic nanoparticles in a polymer matrix. Figures 14.1 and 14.2 illustrate two such nanocomposites: the first was obtained by incorporating lamellar clay particles, and the second by incorporating fibrous nanoparticles, in fact, carbon nanotubes.

  6. Magnetic Nanocomposite Cilia Sensors

    Alfadhel, Ahmed

    2016-07-19

    Recent progress in the development of artificial skin concepts is a result of the increased demand for providing environment perception such as touch and flow sensing to robots, prosthetics and surgical tools. Tactile sensors are the essential components of artificial skins and attracted considerable attention that led to the development of different technologies for mimicking the complex sense of touch in humans. This dissertation work is devoted to the development of a bioinspired tactile sensing technology that imitates the extremely sensitive hair-like cilia receptors found in nature. The artificial cilia are fabricated from permanent magnetic, biocompatible and highly elastic nanocomposite material, and integrated on a giant magneto-impedance magnetic sensor to measure the stray field. A force that bends the cilia changes the stray field and is therefore detected with the magnetic sensor, providing high performance in terms of sensitivity, power consumption and versatility. The nanocomposite is made of Fe nanowires (NWs) incorporated into polydimethylsiloxane (PDMS). Fe NWs have a high remanent magnetization, due the shape anisotropy; thus, they are acting as permanent nano-magnets. This allows remote device operation and avoids the need for a magnetic field to magnetize the NWs, benefiting miniaturization and the possible range of applications. The magnetic properties of the nanocomposite can be easily tuned by modifying the NWs concentration or by aligning the NWs to define a magnetic anisotropy. Tactile sensors are realized on flexible and rigid substrates that can detect flow, vertical and shear forces statically and dynamically, with a high resolution and wide operating range. The advantage to operate the sensors in liquids and air has been utilized to measure flows in different fluids in a microfluidic channel. Various dynamic studies were conducted with the tactile sensor demonstrating the detection of moving objects or the texture of objects. Overall

  7. Incorporating Prognostic Marine Nitrogen Fixers and Related Bio-Physical Feedbacks in an Earth System Model

    Paulsen, H.; Ilyina, T.; Six, K. D.

    2016-02-01

    Marine nitrogen fixers play a fundamental role in the oceanic nitrogen and carbon cycles by providing a major source of `new' nitrogen to the euphotic zone that supports biological carbon export and sequestration. Furthermore, nitrogen fixers may regionally have a direct impact on ocean physics and hence the climate system as they form extensive surface mats which can increase light absorption and surface albedo and reduce the momentum input by wind. Resulting alterations in temperature and stratification may feed back on nitrogen fixers' growth itself.We incorporate nitrogen fixers as a prognostic 3D tracer in the ocean biogeochemical component (HAMOCC) of the Max Planck Institute Earth system model and assess for the first time the impact of related bio-physical feedbacks on biogeochemistry and the climate system.The model successfully reproduces recent estimates of global nitrogen fixation rates, as well as the observed distribution of nitrogen fixers, covering large parts of the tropical and subtropical oceans. First results indicate that including bio-physical feedbacks has considerable effects on the upper ocean physics in this region. Light absorption by nitrogen fixers leads locally to surface heating, subsurface cooling, and mixed layer depth shoaling in the subtropical gyres. As a result, equatorial upwelling is increased, leading to surface cooling at the equator. This signal is damped by the effect of the reduced wind stress due to the presence of cyanobacteria mats, which causes a reduction in the wind-driven circulation, and hence a reduction in equatorial upwelling. The increase in surface albedo due to nitrogen fixers has only inconsiderable effects. The response of nitrogen fixers' growth to the alterations in temperature and stratification varies regionally. Simulations with the fully coupled Earth system model are in progress to assess the implications of the biologically induced changes in upper ocean physics for the global climate system.

  8. Using a cognitive architecture in educational and recreational games : How to incorporate a model in your App

    Taatgen, Niels A.; de Weerd, Harmen; Reitter, David; Ritter, Frank

    2016-01-01

    We present a Swift re-implementation of the ACT-R cognitive architecture, which can be used to quickly build iOS Apps that incorporate an ACT-R model as a core feature. We discuss how this implementation can be used in an example model, and explore the breadth of possibilities by presenting six Apps

  9. Adolescent Decision-Making Processes regarding University Entry: A Model Incorporating Cultural Orientation, Motivation and Occupational Variables

    Jung, Jae Yup

    2013-01-01

    This study tested a newly developed model of the cognitive decision-making processes of senior high school students related to university entry. The model incorporated variables derived from motivation theory (i.e. expectancy-value theory and the theory of reasoned action), literature on cultural orientation and occupational considerations. A…

  10. Incorporating genetic variation into a model of budburst phenology of coast Douglas-fir (Pseudotsuga menziesii var

    Peter J. Gould; Constance A. Harrington; Bradley J. St Clair

    2011-01-01

    Models to predict budburst and other phenological events in plants are needed to forecast how climate change may impact ecosystems and for the development of mitigation strategies. Differences among genotypes are important to predicting phenological events in species that show strong clinal variation in adaptive traits. We present a model that incorporates the effects...

  11. A diagnostic model incorporating P50 sensory gating and neuropsychological tests for schizophrenia.

    Jia-Chi Shan

    Full Text Available OBJECTIVES: Endophenotypes in schizophrenia research is a contemporary approach to studying this heterogeneous mental illness, and several candidate neurophysiological markers (e.g. P50 sensory gating and neuropsychological tests (e.g. Continuous Performance Test (CPT and Wisconsin Card Sorting Test (WCST have been proposed. However, the clinical utility of a single marker appears to be limited. In the present study, we aimed to construct a diagnostic model incorporating P50 sensory gating with other neuropsychological tests in order to improve the clinical utility. METHODS: We recruited clinically stable outpatients meeting DSM-IV criteria of schizophrenia and age- and gender-matched healthy controls. Participants underwent P50 sensory gating experimental sessions and batteries of neuropsychological tests, including CPT, WCST and Wechsler Adult Intelligence Scale Third Edition (WAIS-III. RESULTS: A total of 106 schizophrenia patients and 74 healthy controls were enrolled. Compared with healthy controls, the patient group had significantly a larger S2 amplitude, and thus poorer P50 gating ratio (gating ratio = S2/S1. In addition, schizophrenia patients had a poorer performance on neuropsychological tests. We then developed a diagnostic model by using multivariable logistic regression analysis to differentiate patients from healthy controls. The final model included the following covariates: abnormal P50 gating (defined as P50 gating ratio >0.4, three subscales derived from the WAIS-III (Arithmetic, Block Design, and Performance IQ, sensitivity index from CPT and smoking status. This model had an adequate accuracy (concordant percentage = 90.4%; c-statistic = 0.904; Hosmer-Lemeshow Goodness-of-Fit Test, p = 0.64>0.05. CONCLUSION: To the best of our knowledge, this is the largest study to date using P50 sensory gating in subjects of Chinese ethnicity and the first to use P50 sensory gating along with other neuropsychological tests

  12. Incorporation of Fine-Grained Sediment Erodibility Measurements into Sediment Transport Modeling, Capitol Lake, Washington

    Stevens, Andrew W.; Gelfenbaum, Guy; Elias, Edwin; Jones, Craig

    2008-01-01

    lab with Sedflume, an apparatus for measuring sediment erosion-parameters. In this report, we present results of the characterization of fine-grained sediment erodibility within Capitol Lake. The erodibility data were incorporated into the previously developed hydrodynamic and sediment transport model. Model simulations using the measured erodibility parameters were conducted to provide more robust estimates of the overall magnitudes and spatial patterns of sediment transport resulting from restoration of the Deschutes Estuary.

  13. Incorporating human-water dynamics in a hyper-resolution land surface model

    Vergopolan, N.; Chaney, N.; Wanders, N.; Sheffield, J.; Wood, E. F.

    2017-12-01

    The increasing demand for water, energy, and food is leading to unsustainable groundwater and surface water exploitation. As a result, the human interactions with the environment, through alteration of land and water resources dynamics, need to be reflected in hydrologic and land surface models (LSMs). Advancements in representing human-water dynamics still leave challenges related to the lack of water use data, water allocation algorithms, and modeling scales. This leads to an over-simplistic representation of human water use in large-scale models; this is in turn leads to an inability to capture extreme events signatures and to provide reliable information at stakeholder-level spatial scales. The emergence of hyper-resolution models allows one to address these challenges by simulating the hydrological processes and interactions with the human impacts at field scales. We integrated human-water dynamics into HydroBlocks - a hyper-resolution, field-scale resolving LSM. HydroBlocks explicitly solves the field-scale spatial heterogeneity of land surface processes through interacting hydrologic response units (HRUs); and its HRU-based model parallelization allows computationally efficient long-term simulations as well as ensemble predictions. The implemented human-water dynamics include groundwater and surface water abstraction to meet agricultural, domestic and industrial water demands. Furthermore, a supply-demand water allocation scheme based on relative costs helps to determine sectoral water use requirements and tradeoffs. A set of HydroBlocks simulations over the Midwest United States (daily, at 30-m spatial resolution for 30 years) are used to quantify the irrigation impacts on water availability. The model captures large reductions in total soil moisture and water table levels, as well as spatiotemporal changes in evapotranspiration and runoff peaks, with their intensity related to the adopted water management strategy. By incorporating human-water dynamics in

  14. Incorporation of GRACE Data into a Bayesian Model for Groundwater Drought Monitoring

    Slinski, K.; Hogue, T. S.; McCray, J. E.; Porter, A.

    2015-12-01

    Groundwater drought, defined as the sustained occurrence of below average availability of groundwater, is marked by below average water levels in aquifers and reduced flows to groundwater-fed rivers and wetlands. The impact of groundwater drought on ecosystems, agriculture, municipal water supply, and the energy sector is an increasingly important global issue. However, current drought monitors heavily rely on precipitation and vegetative stress indices to characterize the timing, duration, and severity of drought events. The paucity of in situ observations of aquifer levels is a substantial obstacle to the development of systems to monitor groundwater drought in drought-prone areas, particularly in developing countries. Observations from the NASA/German Space Agency's Gravity Recovery and Climate Experiment (GRACE) have been used to estimate changes in groundwater storage over areas with sparse point measurements. This study incorporates GRACE total water storage observations into a Bayesian framework to assess the performance of a probabilistic model for monitoring groundwater drought based on remote sensing data. Overall, it is hoped that these methods will improve global drought preparedness and risk reduction by providing information on groundwater drought necessary to manage its impacts on ecosystems, as well as on the agricultural, municipal, and energy sectors.

  15. Incorporating organizational factors into probabilistic safety assessment of nuclear power plants through canonical probabilistic models

    Galan, S.F. [Dpto. de Inteligencia Artificial, E.T.S.I. Informatica (UNED), Juan del Rosal, 16, 28040 Madrid (Spain)]. E-mail: seve@dia.uned.es; Mosleh, A. [2100A Marie Mount Hall, Materials and Nuclear Engineering Department, University of Maryland, College Park, MD 20742 (United States)]. E-mail: mosleh@umd.edu; Izquierdo, J.M. [Area de Modelado y Simulacion, Consejo de Seguridad Nuclear, Justo Dorado, 11, 28040 Madrid (Spain)]. E-mail: jmir@csn.es

    2007-08-15

    The {omega}-factor approach is a method that explicitly incorporates organizational factors into Probabilistic safety assessment of nuclear power plants. Bayesian networks (BNs) are the underlying formalism used in this approach. They have a structural part formed by a graph whose nodes represent organizational variables, and a parametric part that consists of conditional probabilities, each of them quantifying organizational influences between one variable and its parents in the graph. The aim of this paper is twofold. First, we discuss some important limitations of current procedures in the {omega}-factor approach for either assessing conditional probabilities from experts or estimating them from data. We illustrate the discussion with an example that uses data from Licensee Events Reports of nuclear power plants for the estimation task. Second, we introduce significant improvements in the way BNs for the {omega}-factor approach can be constructed, so that parameter acquisition becomes easier and more intuitive. The improvements are based on the use of noisy-OR gates as model of multicausal interaction between each BN node and its parents.

  16. Incorporating organizational factors into probabilistic safety assessment of nuclear power plants through canonical probabilistic models

    Galan, S.F.; Mosleh, A.; Izquierdo, J.M.

    2007-01-01

    The ω-factor approach is a method that explicitly incorporates organizational factors into Probabilistic safety assessment of nuclear power plants. Bayesian networks (BNs) are the underlying formalism used in this approach. They have a structural part formed by a graph whose nodes represent organizational variables, and a parametric part that consists of conditional probabilities, each of them quantifying organizational influences between one variable and its parents in the graph. The aim of this paper is twofold. First, we discuss some important limitations of current procedures in the ω-factor approach for either assessing conditional probabilities from experts or estimating them from data. We illustrate the discussion with an example that uses data from Licensee Events Reports of nuclear power plants for the estimation task. Second, we introduce significant improvements in the way BNs for the ω-factor approach can be constructed, so that parameter acquisition becomes easier and more intuitive. The improvements are based on the use of noisy-OR gates as model of multicausal interaction between each BN node and its parents

  17. Sub-Surface and Bulk Creep Behaviour of Polyurethane/Clay Nanocomposites.

    Jin, J; Yusoh, K; Zhang, H X; Song, M

    2016-03-01

    A series of exfoliated and intercalated polyurethane organoclay nanocomposites were prepared by in situ polymerization of polyol/organoclay mixture, chain extender and diisocyanate. The creep behaviour of subsurface and bulk of the polyurethane coatings was investigated by nanoindentation technique and uniaxial conventional creep testing method, respectively. The results showed that the creep resistance of the nanocomposites was significantly improved by incorporation of organoclay. The enhancement of creep resistance was dependent on clay content as well as organoclay structure (exfoliation or intercalation) in the polymer matrix. With 1 wt% organoclay, the creep resistance increased by about 50% for the intercalated organoclay and 6% for the exfoliated organoclay systems, respectively, compared to the pristine polyurethane. Viscoelastic model was employed to investigate the effect of organoclay loadings on the creep performance of the polyurethane. Results showed the model was in good agreement with the experimental data. Incorporation of clay leads to an increase in elastic deformation especially in exfoliated polyurethane nanocomposites and induces a higher initial displacement at the early stage of creep.

  18. TiO2 nanocomposite for the controlled release of drugs against pathogens causing wound infections

    Devanand Venkatasubbu, G.; Nagamuthu, S.; Anusuya, T.; Kumar, J.; Chelliah, Ramachandran; Rani Ramakrishnan, Sudha; Antony, Usha; Khan, Imran; Oh, Deog-Hwan

    2018-02-01

    Chitosan titanium dioxide nanocomposite has been used for wound healing. Titanium dioxide (TiO2) nanoparticles are synthesised and made in to nanocomposite along with chitosan. Curcumin nanoparticles are synthesised. Three different drugs with antimicrobial activity are incorporated into the chitosan/TiO2nanocomposite. Ciprofloxacin, amoxicillin and curcumin nanoparticles are incorporated within the chitosan/TiO2 nanoparticles. The nanoparticles and nanocomposite are characterized with XRD, FTIR, TEM and SEM. Drug loading was found to be around 45% for all the three drug molecules. The drug release profile shows a controlled release of drug molecules from the nanocomposite. Antibacterial studies shows a good inhibition of bacterial species by the nanocomposites.

  19. Nanocomposite Coatings: Preparation, Characterization, Properties, and Applications

    Phuong Nguyen-Tri

    2018-01-01

    Full Text Available Incorporation of nanofillers into the organic coatings might enhance their barrier performance, by decreasing the porosity and zigzagging the diffusion path for deleterious species. Thus, the coatings containing nanofillers are expected to have significant barrier properties for corrosion protection and reduce the trend for the coating to blister or delaminate. On the other hand, high hardness could be obtained for metallic coatings by producing the hard nanocrystalline phases within a metallic matrix. This article presents a review on recent development of nanocomposite coatings, providing an overview of nanocomposite coatings in various aspects dealing with the classification, preparative method, the nanocomposite coating properties, and characterization methods. It covers potential applications in areas such as the anticorrosion, antiwear, superhydrophobic area, self-cleaning, antifouling/antibacterial area, and electronics. Finally, conclusion and future trends will be also reported.

  20. An evaluation of a paediatric radiation oncology teaching programme incorporating a SCORPIO teaching model.

    Ahern, Verity; Klein, Linda; Bentvelzen, Adam; Garlan, Karen; Jeffery, Heather

    2011-04-01

    Many radiation oncology registrars have no exposure to paediatrics during their training. To address this, the Paediatric Special Interest Group of the Royal Australian and New Zealand College of Radiologists has convened a biennial teaching course since 1997. The 2009 course incorporated the use of a Structured, Clinical, Objective-Referenced, Problem-orientated, Integrated and Organized (SCORPIO) teaching model for small group tutorials. This study evaluates whether the paediatric radiation oncology curriculum can be adapted to the SCORPIO teaching model and to evaluate the revised course from the registrars' perspective. Teaching and learning resources included a pre-course reading list, a lecture series programme and a SCORPIO workshop. Three evaluation instruments were developed: an overall Course Evaluation Survey for all participants, a SCORPIO Workshop Survey for registrars and a Teacher's SCORPIO Workshop Survey. Forty-five radiation oncology registrars, 14 radiation therapists and five paediatric oncology registrars attended. Seventy-three per cent (47/64) of all participants completed the Course Evaluation Survey and 95% (38/40) of registrars completed the SCORPIO Workshop Survey. All teachers completed the Teacher's SCORPIO Survey (10/10). The overall educational experience was rated as good or excellent by 93% (43/47) of respondents. Ratings of satisfaction with lecture sessions were predominantly good or excellent. Registrars gave the SCORPIO workshop high ratings on each of 10 aspects of quality, with 82% allocating an excellent rating overall for the SCORPIO activity. Both registrars and teachers recommended more time for the SCORPIO stations. The 2009 course met the educational needs of the radiation oncology registrars and the SCORPIO workshop was a highly valued educational component. © 2011 The Authors. Journal of Medical Imaging and Radiation Oncology © 2011 The Royal Australian and New Zealand College of Radiologists.

  1. The effect of strain-rate on the tensile and compressive behavior of graphene reinforced epoxy/nanocomposites

    Shadlou, Shahin; Ahmadi-Moghadam, Babak; Taheri, Farid

    2014-01-01

    Highlights: • The epoxy/graphene nanocomposites were studied at various strain rates. • The variations in constitutive stress–strain response were scrutinized. • Positive reinforcing attributes of graphene diminished at higher strain rates. • Graphene particles have higher efficiency under compression loading than tension. • A new modification factor for Halpin–Tsai model was proposed. - Abstract: The effect of strain rate on the mechanical behavior of epoxy reinforced with graphene nanoplatelets (GNPs) is investigated. Nanocomposites containing various amounts of GNP are prepared and tested at four different strain rates (0.01, 0.1, 1 and 10/s) under compressive and tensile loading regimes. The results show that incorporation of GNP highly affects the behavior of epoxy. The fracture surfaces of tensile specimens are also investigated using scanning electron microscopy (SEM) to discern the surface features and dispersion state of GNP. Finally, the predictive capability of some of the available models for evaluating the strength of nanocomposites are assessed and compared against the experimental results. Moreover, a modification factor to the widely used Halpin–Tsai model is proposed to improve the accuracy of the model when evaluating the Young’s modulus of nanocomposites at various strain rates

  2. Polypyrrole-silver Nanocomposite: Synthesis and Characterization

    D. M. Nerkar

    2016-07-01

    Full Text Available Polypyrrole-Silver (PPy-Ag nanocomposite has been successfully synthesized by the chemical oxidative polymerization of pyrrole with iron (III chloride as an oxidant, in the presence of a colloidal suspension of silver nanoparticles. Turkevich method (Citrate reduction method was used for the synthesis of silver nanoparticles (Ag NPs. The silver nanoparticles were characterized by UV-Visible spectroscopy which showed an absorption band at 423 nm confirming the formation of nanoparticles. PPy-Ag nanocomposite was characterized by Transmission Electron Microscopy (TEM, Scanning Electron Microscopy (SEM, Fourier Transform Infrared Spectroscopy (FTIR and X-ray diffraction (XRD techniques for morphological and structural confirmations. TEM and SEM images revealed that the silver nanoparticles were well dispersed in the PPy matrix. XRD pattern showed that PPy is amorphous but the presence of the peaks at 2q values of 38.24°, 44.57°, 64.51° and 78.45° corresponding to a cubic phase of silver, revealed the incorporation of silver nanoparticles in the PPy matrix. A possible formation mechanism of PPy-Ag nanocomposite was also proposed. The electrical conductivity of PPy-Ag nanocomposite was studied using two probe method. The electrical conductivity of the PPy-Ag nanocomposite prepared was found to be 4.657´10- 2 S/cm, whereas that of pure PPy was found to be 9.85´10-3 S/cm at room temperature (303 K. The value of activation energy (Ea for pure PPy was 0.045 eV while it decreased to 0.034 eV for PPy-Ag nanocomposite. The synthesized nanocomposite powder can be utilized as a potential material for fabrication of gas sensors operating at room temperature.

  3. Effect of irradiation in nanocomposite films of LLDPE

    Jagtap, R.N.; Shaikh, J.; Anandakrishnan, R.; Sharma, A.K.; Varier, P.S.

    2009-01-01

    Melt compounding was used for the preparation of LLDPE/MMT nanocomposite. The films were irradiated with gamma irradiation to study its mechanical, optical, thermal properties, barrier properties. Montmorillonite clay was treated with cationic emulsifier, to modify the surface properties by HCl and functionalizing with acetic acid. These treated clays were then incorporated in LLDPE to prepare nanocomposite films and then it is irradiated with gamma rays for different dosages of irradiation varying from 0 to 30 kGy, which can be used for food packaging applications. These nanocomposites were characterized by XRD and FTIR. (author)

  4. Mechanical properties and thermal behaviour of LLDPE/MWNTs nanocomposites

    Tai Jin-hua

    2012-12-01

    Full Text Available Multi-walled carbon nanotubes (MWNTs were incorporated into a linear low-density polyethylene (LLDPE matrix through using screw extrusion and injection technique. The effect of different weight percent loadings of MWNTs on the morphology, mechanical, and thermal of LLDPE/MWNTs nanocomposite had been investigated. It was found that, at low concentration of MWNTs, it could uniformly disperse into a linear low-density polyethylene matrix and provide LLDPE/MWNTs nanocomposites much improved mechanical properties. Thermal analysis showed that a clear improvement of thermal stability for LLDPE/MWNTs nanocomposites increased with increasing MWNTs content.

  5. Electrical conduction of a XLPE nanocomposite

    Park, Yong-Jun; Sim, Jae-Yong; Lim, Kee-Joe; Nam, Jin-Ho; Park, Wan-Gi

    2014-07-01

    The resistivity, breakdown strength, and formation of space charges are very important factors for insulation design of HVDC cable. It is known that a nano-sized metal-oxide inorganic filler reduces the formation of space charges in the polymer nanocomposite. Electrical conduction of cross-linked polyethylene(XLPE) nanocomposite insulating material is investigated in this paper. The conduction currents of two kinds of XLPE nanocomposites and XLPE without nano-filler were measured at temperature of 303 ~ 363 K under the applied electric fields of 10 ~ 50 kV/mm. The current of the nanocomposite specimen is smaller than that of XLPE specimen without nano-filler. The conduction mechanism may be explained in terms of Schottky emission and multi-core model.

  6. Polyhedral Oligomeric Silsesquioxane (POSS)-Containing Polymer Nanocomposites

    Ayandele, Ebunoluwa; Sarkar, Biswajit; Alexandridis, Paschalis

    2012-01-01

    Hybrid materials with superior structural and functional properties can be obtained by incorporating nanofillers into polymer matrices. Polyhedral oligomeric silsesquioxane (POSS) nanoparticles have attracted much attention recently due to their nanometer size, the ease of which these particles can be incorporated into polymeric materials and the unique capability to reinforce polymers. We review here the state of POSS-containing polymer nanocomposites. We discuss the influence of the incorporation of POSS into polymer matrices via chemical cross-linking or physical blending on the structure of nanocomposites, as affected by surface functional groups, and the POSS concentration. PMID:28348318

  7. Multifunctional Polymer/Inorganic Nanocomposites

    Manias, E

    2003-01-01

    ... in multifunctional nanocomposite materials. Understanding the structure/property relations in polymer/clay nanocomposites is of great importance in designing materials with desired sets of properties...

  8. Global dynamics of a PDE model for aedes aegypti mosquitoe incorporating female sexual preference

    Parshad, Rana; Agusto, Folashade B.

    2011-01-01

    In this paper we study the long time dynamics of a reaction diffusion system, describing the spread of Aedes aegypti mosquitoes, which are the primary cause of dengue infection. The system incorporates a control attempt via the sterile insect

  9. Incorporating classic adsorption isotherms into modern surface complexation models: implications for sorption of radionuclides

    Kulik, D.A.

    2005-01-01

    Full text of publication follows: Computer-aided surface complexation models (SCM) tend to replace the classic adsorption isotherm (AI) analysis in describing mineral-water interface reactions such as radionuclide sorption onto (hydr) oxides and clays. Any site-binding SCM based on the mole balance of surface sites, in fact, reproduces the (competitive) Langmuir isotherm, optionally amended with electrostatic Coulomb's non-ideal term. In most SCM implementations, it is difficult to incorporate real-surface phenomena (site heterogeneity, lateral interactions, surface condensation) described in classic AI approaches other than Langmuir's. Thermodynamic relations between SCMs and AIs that remained obscure in the past have been recently clarified using new definitions of standard and reference states of surface species [1,2]. On this basis, a method for separating the Langmuir AI into ideal (linear) and non-ideal parts [2] was applied to multi-dentate Langmuir, Frumkin, and BET isotherms. The aim of this work was to obtain the surface activity coefficient terms that make the SCM site mole balance constraints obsolete and, in this way, extend thermodynamic SCMs to cover sorption phenomena described by the respective AIs. The multi-dentate Langmuir term accounts for the site saturation with n-dentate surface species, as illustrated on modeling bi-dentate U VI complexes on goethite or SiO 2 surfaces. The Frumkin term corrects for the lateral interactions of the mono-dentate surface species; in particular, it has the same form as the Coulombic term of the constant-capacitance EDL combined with the Langmuir term. The BET term (three parameters) accounts for more than a monolayer adsorption up to the surface condensation; it can potentially describe the surface precipitation of nickel and other cations on hydroxides and clay minerals. All three non-ideal terms (in GEM SCMs implementation [1,2]) by now are used for non-competing surface species only. Upon 'surface dilution

  10. Use of MMT and MMT organoclay in production of starch nanocomposites; Utilizacao da MMT e da MMT organofilica na producao de nanocompositos de amido

    Schlemmer, D; Sales, M J.A., [Universidade de Brasilia (LabPol/UnB), DF (Brazil). Inst. de Quimica. Lab. de Pesquisa em Polimeros; Macedo, J.L. de [Universidade de Brasilia (LabCat/UnB), DF (Brazil). Inst. de Quimica. Lab. de Catalise; Angelica, R S [Universidade Federal do Para (UFPA), Belem, PA (Brazil). Inst. de Geociencias. Lab. de Raios X

    2010-07-01

    Starch can be used to replace petrochemical plastics for short shelf life. However, starch films have poor mechanical strength and sensitivity to moisture. This can be improved through the incorporation of nanoclays, such as montmorillonite, forming nanocomposites. Nanocomposites were prepared with 1, 3, 5 and 10% of montmorillonite, using pequi oil as plasticizer. The clay was also modified with a quaternary ammonium salt. The clays were characterized by XRF, XRD, IR and TG. Results confirmed the organophilization. The nanocomposites diffractograms showed that the addition of small amounts of clay produces delaminated nanocomposites. Already the addition of larger amount of clay does not form nanocomposites, or leads to the formation of intercalated nanocomposites. (author)

  11. Magnetic nanocomposite sensor

    Alfadhel, Ahmed

    2016-05-06

    A magnetic nanocomposite device is described herein for a wide range of sensing applications. The device utilizes the permanent magnetic behavior of the nanowires to allow operation without the application of an additional magnetic field to magnetize the nanowires, which simplifies miniaturization and integration into microsystems. In5 addition, the nanocomposite benefits from the high elasticity and easy patterning of the polymer-based material, leading to a corrosion-resistant, flexible material that can be used to realize extreme sensitivity. In combination with magnetic sensor elements patterned underneath the nanocomposite, the nanocomposite device realizes highly sensitive and power efficient flexible artificial cilia sensors for flow measurement or tactile sensing.

  12. Volumetric composition of nanocomposites

    Madsen, Bo; Lilholt, Hans; Mannila, Juha

    2015-01-01

    is presented, using cellulose/epoxy and aluminosilicate/polylactate nanocomposites as case materials. The buoyancy method is used for the accurate measurements of materials density. The accuracy of the method is determined to be high, allowing the measured nanocomposite densities to be reported with 5...... significant figures. The plotting of the measured nanocomposite density as a function of the nanofibre weight content is shown to be a first good approach of assessing the porosity content of the materials. The known gravimetric composition of the nanocomposites is converted into a volumetric composition...

  13. Numerical modeling of the dispersion of ceramic nanoparticles during ultrasonic processing of aluminum-based nanocomposites

    Daojie Zhang

    2014-10-01

    The modeling parametric study includes the effects of the fluid flow, the ultrasonic probe location, nanoparticle size distribution, and initial location where the nanoparticles are released into the molten alloy. It was determined that the nanoparticles can be distributed quickly and uniformly into the molten 6061 alloy.

  14. Creep behavior of starch-based nanocomposite films with cellulose nanofibrils.

    Li, Meng; Li, Dong; Wang, Li-jun; Adhikari, Benu

    2015-03-06

    Nanocomposite films were successfully prepared by incorporating cellulose nanofibrils (CNFs) from sugar beet pulp into plasticized starch (PS) at CNFs concentration of 5-20%. The storage (G') and loss (G″) moduli, creep and creep-recovery behavior of these films were studied. The creep behavior of these films at long time frame was studied using time-temperature superposition (TTS). The CNFs were uniformly distributed within these films up to 15% of CNFs. The PS-only and the PS/CNFs nanocomposite films exhibited dominant elastic behavior. The incorporation of CNFs increased both the G' and G″. The CNFs improved the creep resistance and reduced the creep recovery rate of the PS/CNFs nanocomposite films. TTS method was successfully used to predict the creep behavior of these films at longer time frame. Power law and Burgers model were capable (R(2)>0.98) of fitting experimental G' versus angular frequency and creep strain versus time data, respectively. Copyright © 2014 Elsevier Ltd. All rights reserved.

  15. Development of novel nano-composite membranes as introduction systems for mass spectrometers: Contrasting nano-composite membranes and conventional inlet systems

    Miranda, Luis Diego

    This dissertation presents the development of novel nano-composite membranes as introduction systems for mass spectrometers. These nano-composite membranes incorporate anodic aluminum oxide (AAO) membranes as templates that can be used by themselves or modified by a variety of chemical deposition processes. Two types of nano-composite membranes are presented. The first nano-composite membrane has carbon deposited within the pores of an AAO membrane. The second nano-composite membrane is made by coating an AAO membrane with a thin polymer film. The following chapters describe the transmission properties these nano-composite membranes and compare them to conventional mass spectrometry introduction systems. The nano- composite membranes were finally coupled to the inlet system of an underwater mass spectrometer revealing their utility in field deployments.

  16. Modeling Networks and Dynamics in Complex Systems: from Nano-Composites to Opinion Formation

    Shi, Feng

    Complex networks are ubiquitous in systems of physical, biological, social or technological origin. Components in those systems range from as large as cities in power grids, to as small as molecules in metabolic networks. Since the dawn of network science, significant attention has focused on the implications of dynamics in establishing network structure and the impact of structural properties on dynamics on those networks. The first part of the thesis follows this direction, studying the network formed by conductive nanorods in nano-materials, and focuses on the electrical response of the composite to the structure change of the network. New scaling laws for the shear-induced anisotropic percolation are introduced and a robust exponential tail of the current distribution across the network is identified. These results are relevant especially to "active" composite materials where materials are exposed to mechanical loading and strain deformations. However, in many real-world networks the evolution of the network topology is tied to the states of the vertices and vice versa. Networks that exhibit such a feedback are called adaptive or coevolutionary networks. The second part of the thesis examines two closely related variants of a simple, abstract model for coevolution of a network and the opinions of its members. As a representative model for adaptive networks, it displays the feature of self-organization of the system into a stable configuration due to the interplay between the network topology and the dynamics on the network. This simple model yields interesting dynamics and the slight change in the rewiring strategy results in qualitatively different behaviors of the system. In conclusion, the dissertation aims to develop new network models and tools which enable insights into the structure and dynamics of various systems, and seeks to advance network algorithms which provide approaches to coherently articulated questions in real-world complex systems such as

  17. Parametric modeling of energy filtering by energy barriers in thermoelectric nanocomposites

    Zianni, Xanthippi, E-mail: xzianni@teiste.gr, E-mail: xzianni@gmail.com [Department of Aircraft Technology, Technological Educational Institution of Sterea Ellada, 34400 Psachna (Greece); Department of Microelectronics, INN, NCSR “Demokritos,” 15310 Athens (Greece); Narducci, Dario [Department of Materials Science, University of Milano Bicocca, 20125 Milano (Italy)

    2015-01-21

    We present a parametric modeling of the thermoelectric transport coefficients based on a model previously used to interpret experimental measurements on the conductivity, σ, and Seebeck coefficient, S, in highly Boron-doped polycrystalline Si, where a very significant thermoelectric power factor (TPF) enhancement was observed. We have derived analytical formalism for the transport coefficients in the presence of an energy barrier assuming thermionic emission over the barrier for (i) non-degenerate and (ii) degenerate one-band semiconductor. Simple generic parametric equations are found that are in agreement with the exact Boltzmann transport formalism in a wide range of parameters. Moreover, we explore the effect of energy barriers in 1-d composite semiconductors in the presence of two phases: (a) the bulk-like phase and (b) the barrier phase. It is pointed out that significant TPF enhancement can be achieved in the composite structure of two phases with different thermal conductivities. The TPF enhancement is estimated as a function of temperature, the Fermi energy position, the type of scattering, and the barrier height. The derived modeling provides guidance for experiments and device design.

  18. Incorporating a Time Horizon in Rate-of-Return Estimations: Discounted Cash Flow Model in Electric Transmission Rate Cases

    Chatterjee, Bishu; Sharp, Peter A.

    2006-01-01

    Electric transmission and other rate cases use a form of the discounted cash flow model with a single long-term growth rate to estimate rates of return on equity. It cannot incorporate information about the appropriate time horizon for which analysts' estimates of earnings growth have predictive powers. Only a non-constant growth model can explicitly recognize the importance of the time horizon in an ROE calculation. (author)

  19. Characterization of Hybrid Epoxy Nanocomposites

    Simcha, Shelly; Dotan, Ana; Kenig, Samuel; Dodiuk, Hanna

    2012-01-01

    This study focused on the effect of Multi Wall Carbon Nanotubes (MWCNT) content and its surface treatment on thermo-mechanical properties of epoxy nanocomposites. MWCNTs were surface treated and incorporated into two epoxy systems. MWCNT's surface treatments were based on: (a) Titania coating obtained by sol-gel process and (b) a nonionic surfactant. Thermo-mechanical properties improvement was obtained following incorporation of treated MWCNT. It was noticed that small amounts of titania coated MWCNT (0.05 wt %) led to an increase in the glass transition temperature and stiffness. The best performance was achieved adding 0.3 wt % titania coated MWCNT where an increase of 10 °C in the glass transition temperature and 30% in storage modulus were obtained. PMID:28348313

  20. Strategies for Incorporating Women-Specific Sexuality Education into Addiction Treatment Models

    James, Raven

    2007-01-01

    This paper advocates for the incorporation of a women-specific sexuality curriculum in the addiction treatment process to aid in sexual healing and provide for aftercare issues. Sexuality in addiction treatment modalities is often approached from a sex-negative stance, or that of sexual victimization. Sexual issues are viewed as addictive in and…

  1. Cyclic viscoelasticity and viscoplasticity of polypropylene/clay nanocomposites

    Drozdov, Aleksey; Christiansen, Jesper de Claville; Hog Lejre, Anne-Lise

    2012-01-01

    Observations are reported in tensile relaxation tests under stretching and retraction on poly-propylene/clay nanocomposites with various contents of filler. A two-phase constitutive model is developed in cyclic viscoelasticity and viscoplasticity of hybrid nanocomposites. Adjustable parameters in...

  2. Generalized Effective Medium Theory for Particulate Nanocomposite Materials

    Muhammad Usama Siddiqui

    2016-08-01

    Full Text Available The thermal conductivity of particulate nanocomposites is strongly dependent on the size, shape, orientation and dispersion uniformity of the inclusions. To correctly estimate the effective thermal conductivity of the nanocomposite, all these factors should be included in the prediction model. In this paper, the formulation of a generalized effective medium theory for the determination of the effective thermal conductivity of particulate nanocomposites with multiple inclusions is presented. The formulated methodology takes into account all the factors mentioned above and can be used to model nanocomposites with multiple inclusions that are randomly oriented or aligned in a particular direction. The effect of inclusion dispersion non-uniformity is modeled using a two-scale approach. The applications of the formulated effective medium theory are demonstrated using previously published experimental and numerical results for several particulate nanocomposites.

  3. Single-walled carbon nanotubes nanocomposite microacoustic organic vapor sensors

    Penza, M. [ENEA, Materials and New Technologies Unit, SS. 7, Appia, km 714, 72100 Brindisi (Italy)]. E-mail: michele.penza@brindisi.enea.it; Tagliente, M.A. [ENEA, Materials and New Technologies Unit, SS. 7, Appia, km 714, 72100 Brindisi (Italy); Aversa, P. [ENEA, Materials and New Technologies Unit, SS. 7, Appia, km 714, 72100 Brindisi (Italy); Cassano, G. [ENEA, Materials and New Technologies Unit, SS. 7, Appia, km 714, 72100 Brindisi (Italy); Capodieci, L. [ENEA, Materials and New Technologies Unit, SS. 7, Appia, km 714, 72100 Brindisi (Italy)

    2006-07-15

    We have developed highly sensitive microacoustic vapor sensors based on surface acoustic waves (SAWs) configured as oscillators using a two-port resonator 315, 433 and 915 MHz device. A nanocomposite film of single-walled carbon nanotubes (SWCNTs) embedded in a cadmium arachidate (CdA) amphiphilic organic matrix was prepared by Langmuir-Blodgett technique with a different SWCNTs weight filler content onto SAW transducers as nanosensing interface for vapor detection, at room temperature. The structural properties and surface morphology of the nanocomposite have been examined by X-ray diffraction, transmission and scanning electron microscopy, respectively. The sensing properties of SWCNTs nanocomposite LB films consisting of tangled nanotubules have been also investigated by using Quartz Crystal Microbalance 10 MHz AT-cut quartz resonators. The measured acoustic sensing characteristics indicate that the room-temperature SAW sensitivity to polar and nonpolar tested organic molecules (ethanol, ethylacetate, toluene) of the SWCNTs-in-CdA nanocomposite increases with the filler content of SWCNTs incorporated in the nanocomposite; also the SWCNTs-in-CdA nanocomposite vapor sensitivity results significantly enhanced with respect to traditional organic molecular cavities materials with a linearity in the frequency change response for a given nanocomposite weight composition and a very low sub-ppm limit of detection.

  4. Incorporating creditors' seniority into contingent claim models: Applicarion to peripheral euro area countries

    Gómez-Puig, Marta; Singh, Manish Kumar; Sosvilla Rivero, Simón, 1961-

    2018-01-01

    This paper highlights the role of multilateral creditors (i.e., the ECB, IMF, ESM etc.) and their preferred creditor status in explaining the sovereign default risk of peripheral euro area (EA) countries. Incorporating lessons from sovereign debt crises in general, and from the Greek debt restructuring in particular, we define the priority structure of sovereigns' creditors that is most relevant for peripheral EA countries in severe crisis episodes. This new priority structure of creditors, t...

  5. Manufacturing, Testing of Polymer Nanocomposite and Analysis of Tennis Racket Frame

    P. K. Chidambaram

    2014-01-01

    Full Text Available The modern days, the game of tennis expects high levels of performance from every international tennis players. The performance of every tennis player based on the tennis racket and playing conditions. The evolution of the tennis racket, with respect to both design and materials (tennis racket strings and grips developed lots of new tennis racket frames. The tennis racket required to change in recent years as a result of lightweight, stiffer rackets for better performance. The paper discusses the manufacturing, testing, structural and modal analysis of four ratios of Nylon6,6/MWNT new polymer nanocomposite material replacing excising composite materials to a tennis racket frame for better mechanical properties to enhanced performance of the tennis racket. Using universal testing machine test and calculate the various mechanical properties strength, modulus, impact, hardness, stiffness, toughness of the polymer nanocomposite. In the design, the tennis racket frame was designed of the shape, dimensions. After design part created the 3D model using by PRO/ENGINEER software. The 3D racket model can be export to ANSYS analysis software and incorporated with new polymer nanocomposite properties. The structural and model analysis was done.

  6. Triple-component nanocomposite films prepared using a casting method: Its potential in drug delivery

    Sadia Gilani

    2018-04-01

    Full Text Available The purpose of this study was to fabricate a triple-component nanocomposite system consisting of chitosan, polyethylene glycol (PEG, and drug for assessing the application of chitosan–PEG nanocomposites in drug delivery and also to assess the effect of different molecular weights of PEG on nanocomposite characteristics. The casting/solvent evaporation method was used to prepare chitosan–PEG nanocomposite films incorporating piroxicam-β-cyclodextrin. In order to characterize the morphology and structure of nanocomposites, X-ray diffraction technique, scanning electron microscopy, thermogravimetric analysis, and Fourier transmission infrared spectroscopy were used. Drug content uniformity test, swelling studies, water content, erosion studies, dissolution studies, and anti-inflammatory activity were also performed. The permeation studies across rat skin were also performed on nanocomposite films using Franz diffusion cell. The release behavior of films was found to be sensitive to pH and ionic strength of release medium. The maximum swelling ratio and water content was found in HCl buffer pH 1.2 as compared to acetate buffer of pH 4.5 and phosphate buffer pH 7.4. The release rate constants obtained from kinetic modeling and flux values of ex vivo permeation studies showed that release of piroxicam-β-cyclodextrin increased with an increase in concentration of PEG. The formulation F10 containing 75% concentration of PEG showed the highest swelling ratio (3.42±0.02 in HCl buffer pH 1.2, water content (47.89±1.53% in HCl buffer pH 1.2, maximum cumulative drug permeation through rat skin (2405.15±10.97 μg/cm2 in phosphate buffer pH 7.4, and in vitro drug release (35.51±0.26% in sequential pH change mediums, and showed a significantly (p<0.0001 higher anti-inflammatory effect (0.4 cm. It can be concluded from the results that film composition had a particular impact on drug release properties. The different molecular weights of PEG have a

  7. Incorporation of oxygen contribution by plant roots into classical dissolved oxygen deficit model for a subsurface flow treatment wetland.

    Bezbaruah, Achintya N; Zhang, Tian C

    2009-01-01

    It has been long established that plants play major roles in a treatment wetland. However, the role of plants has not been incorporated into wetland models. This study tries to incorporate wetland plants into a biochemical oxygen demand (BOD) model so that the relative contributions of the aerobic and anaerobic processes to meeting BOD can be quantitatively determined. The classical dissolved oxygen (DO) deficit model has been modified to simulate the DO curve for a field subsurface flow constructed wetland (SFCW) treating municipal wastewater. Sensitivities of model parameters have been analyzed. Based on the model it is predicted that in the SFCW under study about 64% BOD are degraded through aerobic routes and 36% is degraded anaerobically. While not exhaustive, this preliminary work should serve as a pointer for further research in wetland model development and to determine the values of some of the parameters used in the modified DO deficit and associated BOD model. It should be noted that nitrogen cycle and effects of temperature have not been addressed in these models for simplicity of model formulation. This paper should be read with this caveat in mind.

  8. A mathematical model to determine incorporated quantities of radioactivity from the measured photometric values of tritium-autoradiographs in neuroanatomy

    Jennissen, J.J.

    1981-01-01

    The mathematical/empirical model developed in this paper helps to determine the incorporated radioactivity from the measured photometric values and the exposure time T. Possible errors of autoradiography due to the exposure time or the preparation are taken into consideration by the empirical model. It is shown that the error of appr. 400% appearing in the sole comparison of the measured photometric values can be corrected. The model is valid for neuroanatomy as optical nerves, i.e. neuroanatomical material, were used to develop it. Its application also to the other sections of the central nervous system seems to be justified due to the reduction of errors thus achieved. (orig.) [de

  9. A computational model incorporating neural stem cell dynamics reproduces glioma incidence across the lifespan in the human population.

    Roman Bauer

    Full Text Available Glioma is the most common form of primary brain tumor. Demographically, the risk of occurrence increases until old age. Here we present a novel computational model to reproduce the probability of glioma incidence across the lifespan. Previous mathematical models explaining glioma incidence are framed in a rather abstract way, and do not directly relate to empirical findings. To decrease this gap between theory and experimental observations, we incorporate recent data on cellular and molecular factors underlying gliomagenesis. Since evidence implicates the adult neural stem cell as the likely cell-of-origin of glioma, we have incorporated empirically-determined estimates of neural stem cell number, cell division rate, mutation rate and oncogenic potential into our model. We demonstrate that our model yields results which match actual demographic data in the human population. In particular, this model accounts for the observed peak incidence of glioma at approximately 80 years of age, without the need to assert differential susceptibility throughout the population. Overall, our model supports the hypothesis that glioma is caused by randomly-occurring oncogenic mutations within the neural stem cell population. Based on this model, we assess the influence of the (experimentally indicated decrease in the number of neural stem cells and increase of cell division rate during aging. Our model provides multiple testable predictions, and suggests that different temporal sequences of oncogenic mutations can lead to tumorigenesis. Finally, we conclude that four or five oncogenic mutations are sufficient for the formation of glioma.

  10. Incorporating wind availability into land use regression modelling of air quality in mountainous high-density urban environment.

    Shi, Yuan; Lau, Kevin Ka-Lun; Ng, Edward

    2017-08-01

    Urban air quality serves as an important function of the quality of urban life. Land use regression (LUR) modelling of air quality is essential for conducting health impacts assessment but more challenging in mountainous high-density urban scenario due to the complexities of the urban environment. In this study, a total of 21 LUR models are developed for seven kinds of air pollutants (gaseous air pollutants CO, NO 2 , NO x , O 3 , SO 2 and particulate air pollutants PM 2.5 , PM 10 ) with reference to three different time periods (summertime, wintertime and annual average of 5-year long-term hourly monitoring data from local air quality monitoring network) in Hong Kong. Under the mountainous high-density urban scenario, we improved the traditional LUR modelling method by incorporating wind availability information into LUR modelling based on surface geomorphometrical analysis. As a result, 269 independent variables were examined to develop the LUR models by using the "ADDRESS" independent variable selection method and stepwise multiple linear regression (MLR). Cross validation has been performed for each resultant model. The results show that wind-related variables are included in most of the resultant models as statistically significant independent variables. Compared with the traditional method, a maximum increase of 20% was achieved in the prediction performance of annual averaged NO 2 concentration level by incorporating wind-related variables into LUR model development. Copyright © 2017 Elsevier Inc. All rights reserved.

  11. PPLA-cellulose nanocrystals nanocomposite prepared by in situ polymerization

    Paula, Everton L. de; Pereirea, Fabiano V.; Mano, Valdir

    2011-01-01

    This work reports the preparation and and characterization of a PLLA-cellulose nanocrystals nanocomposite obtained by in situ polymerization. The nanocomposite was prepared by ring opening polymerization of the lactide dimer in the presence of cellulose nanocrystals (CNCs) and the as-obtained materials was characterized using FTIR, DSC, XRD and TGA measurements. The incorporation of cellulose nanocrystals in PLLA using this method improved the thermal stability and increased the crystallinity of PLLA. These results indicate that the incorporation of CNCs by in situ polymerization improve thermal properties and has potential to improve also mechanical properties of this biodegradable polymer. (author)

  12. Effect of organoclay incorporation on dental resin morphology

    Oliveira, Nadja M.S.; Reis, Romulo P.B.; Leite, Itamara F.; Morais, Crislene R.S.; Silva, Suedina M.L.

    2009-01-01

    The objective of the present work was to incorporate nanosilicates in commercial dental resins in order to prepare dental nanocomposites competitive as commercial nanoparticulates dental resins. Thus, a silicate, Cloisite 20A (C20A), was incorporated in a microhybrid dental resin (Z100) and morphological properties of the nanocomposites evaluated as a function of the incorporation method and the amount of filler employed. The samples were characterized by X-ray diffraction (XRD) and scanning electron microscopy (SEM). The XRD results evidence that nanocomposites have been obtained and according to SEM results, the morphology of microhybrid resin was modified when C20A nanoparticulate was incorporated improve the size distribution and reduce the agglomeration of the particles. (author)

  13. Development of silica nanoparticles obtaintion process from renewable source waste and its incorporation in thermoplastic polymer for manufacturing a nanocomposite; Denvolvimento de processo de obtenção de nanopartículas de sílica a partir de resíduo de fonte renovável e incorporação em polímero termoplástico para a fabricação de nanocompósito

    Ortiz, Angel Visentim

    2016-07-01

    The nanocomposite technology is applicable to a wide range of thermoplastic and thermoset polymers. The use of sugar cane byproducts has been extensively studied as a source of reinforcement for nanocomposites. The bagasse is widely used in cogeneration and as a result of the burning of this material, millions of tons of ash are produced. For this work, silica contained in the ashes of bagasse from sugarcane was extracted by chemical method and thermal method. The thermal method is more efficient leading to a purity of more than 93% of silica, while the chemical method generated silica contaminated with chlorine and sodium from the extraction reagents. The silica particles obtained were evaluated by dynamic light scattering (DSL) and presented an average size of 12 micrometers. These particles were submitted to grinding in a ball mill and then to a sonochemical treatment. Silica particles treated by the sonochemical process ( 20 kHz, 500 W and 90 minutes) had its dimensions reduced to nanometric scale of tenths of nanometers. The nanossílica obtained was then used as reinforcement in high density polyethylene (HDPE). Mechanical and thermo-mechanical properties were assessed and gains were shown for mechanical properties , except for the impact resistance. The distortion temperature (HDT) showed that the incorporation of the reinforcement in HDPE led to a small increase in this property compared to pure HDPE. The crystallinity of the nanocomposites generated was evaluated by differential scanning calorimetry (DSC) and it was observed a decrease of crystallinity in the material when the reinforcing incorporation was 3%. The material irradiated to 250 kGy with electron beam showed important property gains, mainly due to the high level of crosslinking of irradiated HDPE. (author)

  14. Development of nano-composite membranes to improve alkaline fuel cell performance

    Nonjola, P

    2011-09-01

    Full Text Available The work presented here describes modification of commercially available polysulfone (PSU) as well as the formation of nano-composite membrane i.e. TiO2 nano particles incorporated into anion exchange polymer matrix....

  15. A mechano-regulatory bone-healing model incorporating cell-phenotype specific activity

    Isaksson, H.E.; Donkelaar, van C.C.; Huiskes, R.; Ito, K.

    2008-01-01

    Phenomenological computational models of tissue regeneration and bone healing have been only partially successful in predicting experimental observations. This may be a result of simplistic modeling of cellular activity. Furthermore, phenomenological models are limited when considering the effects

  16. Preparation of new conductive polymer nanocomposites for cadmium removal from industrial wastewaters

    Zoleikani, Leila; Issazadeh, Hossein; ZareNezhad, Bahman

    2015-01-01

    Different conductive polymer nanocomposites have been synthesized, characterized and tested, regarding the removal of cadmium from industrial wastewaters. The chemical structure and morphology are studied by FTIR spectroscopy, scanning electron microscopy (SEM) and X-ray diffraction (XRD). The cadmium removal performance, using the produced polypyrrole, polyaniline and polythiophene nanocomposites, are about 40.2 %, 59 % and 99.94 %, respectively, suggesting the superior performance of synthesized polythiophene conductive nanocomposite for cadmium removal from industrial wastewaters. It is shown that the Langmuir adsorption model can be used for accurate description of cadmium removal mechanism using different synthesized conductive nanocomposites. Keywords : wastewater, nanocomposite, polythiophene, cadmium removal, conductive polymer.

  17. [Incorporation of an organic MAGIC (Model of Acidification of Groundwater in Catchments) and testing of the revised model using independent data sources]. [MAGIC Model

    Sullivan, T.J.

    1992-09-01

    A project was initiated in March, 1992 to (1) incorporate a rigorous organic acid representation, based on empirical data and geochemical considerations, into the MAGIC model of acidification response, and (2) test the revised model using three sets of independent data. After six months of performance, the project is on schedule and the majority of the tasks outlined for Year 1 have been successfully completed. Major accomplishments to data include development of the organic acid modeling approach, using data from the Adirondack Lakes Survey Corporation (ALSC), and coupling the organic acid model with MAGIC for chemical hindcast comparisons. The incorporation of an organic acid representation into MAGIC can account for much of the discrepancy earlier observed between MAGIC hindcasts and paleolimnological reconstructions of preindustrial pH and alkalinity for 33 statistically-selected Adirondack lakes. Additional work is on-going for model calibration and testing with data from two whole-catchment artificial acidification projects. Results obtained thus far are being prepared as manuscripts for submission to the peer-reviewed scientific literature.

  18. Glucose oxidase incorporated collagen matrices for dermal wound repair in diabetic rat models: a biochemical study.

    Arul, V; Masilamoni, J G; Jesudason, E P; Jaji, P J; Inayathullah, M; Dicky John, D G; Vignesh, S; Jayakumar, R

    2012-05-01

    Impaired wound healing in diabetes is a well-documented phenomenon. Emerging data favor the involvement of free radicals in the pathogenesis of diabetic wound healing. We investigated the beneficial role of the sustained release of reactive oxygen species (ROS) in diabetic dermal wound healing. In order to achieve the sustained delivery of ROS in the wound bed, we have incorporated glucose oxidase in the collagen matrix (GOIC), which is applied to the healing diabetic wound. Our in vitro proteolysis studies on incorporated GOIC show increased stability against the proteases in the collagen matrix. In this study, GOIC film and collagen film (CF) are used as dressing material on the wound of streptozotocin-induced diabetic rats. A significant increase in ROS (p < 0.05) was observed in the fibroblast of GOIC group during the inflammation period compared to the CF and control groups. This elevated level up regulated the antioxidant status in the granulation tissue and improved cellular proliferation in the GOIC group. Interestingly, our biochemical parameters nitric oxide, hydroxyproline, uronic acid, protein, and DNA content in the healing wound showed that there is an increase in proliferation of cells in GOIC when compared to the control and CF groups. In addition, evidence from wound contraction and histology reveals faster healing in the GOIC group. Our observations document that GOIC matrices could be effectively used for diabetic wound healing therapy.

  19. Development of nanocomposites employing high-density polyethylene and organo clay

    Lessa, Tathiane C. Rodrigues F.; Tavares, Maria Ines B.; Pita, Vitor J.R.R.

    2009-01-01

    The purpose of this study was to prepare nanocomposites of high-density polyethylene and montmorillonite organoclay by polymer melt intercalation, employing different processing parameters. Effective clay incorporation into polyethylene matrix was observed. The nanocomposites were structurally characterized. Intercalated nanocomposites were obtained from different process parameters, employing polyethylene resin and montmorillonite organoclays. The XRD results and other analysis showed that the processing parameters affect the organoclay delamination. The polyethylene nanocomposite presented the better performance using twin screw extruder, at 90 rpm. The purpose of characterization of polyethylene/organoclay nanocomposite by low-field NMR showed that this technique was important to understand changes in the molecular mobility of polyethylene when organoclay was incorporated. (author)

  20. Incorporating Psychological Predictors of Treatment Response into Health Economic Simulation Models: A Case Study in Type 1 Diabetes.

    Kruger, Jen; Pollard, Daniel; Basarir, Hasan; Thokala, Praveen; Cooke, Debbie; Clark, Marie; Bond, Rod; Heller, Simon; Brennan, Alan

    2015-10-01

    . Health economic modeling has paid limited attention to the effects that patients' psychological characteristics have on the effectiveness of treatments. This case study tests 1) the feasibility of incorporating psychological prediction models of treatment response within an economic model of type 1 diabetes, 2) the potential value of providing treatment to a subgroup of patients, and 3) the cost-effectiveness of providing treatment to a subgroup of responders defined using 5 different algorithms. . Multiple linear regressions were used to investigate relationships between patients' psychological characteristics and treatment effectiveness. Two psychological prediction models were integrated with a patient-level simulation model of type 1 diabetes. Expected value of individualized care analysis was undertaken. Five different algorithms were used to provide treatment to a subgroup of predicted responders. A cost-effectiveness analysis compared using the algorithms to providing treatment to all patients. . The psychological prediction models had low predictive power for treatment effectiveness. Expected value of individualized care results suggested that targeting education at responders could be of value. The cost-effectiveness analysis suggested, for all 5 algorithms, that providing structured education to a subgroup of predicted responders would not be cost-effective. . The psychological prediction models tested did not have sufficient predictive power to make targeting treatment cost-effective. The psychological prediction models are simple linear models of psychological behavior. Collection of data on additional covariates could potentially increase statistical power. . By collecting data on psychological variables before an intervention, we can construct predictive models of treatment response to interventions. These predictive models can be incorporated into health economic models to investigate more complex service delivery and reimbursement strategies.

  1. A novel piezoresistive polymer nanocomposite MEMS accelerometer

    Seena, V; Hari, K; Prajakta, S; Ramgopal Rao, V; Pratap, Rudra

    2017-01-01

    A novel polymer MEMS (micro electro mechanical systems) accelerometer with photo-patternable polymer nanocomposite as a piezoresistor is presented in this work. Polymer MEMS Accelerometer with beam thicknesses of 3.3 µ m and embedded nanocomposite piezoresistive layer having a gauge factor of 90 were fabricated. The photosensitive nanocomposite samples were prepared and characterized for analyzing the mechanical and electrical properties and thereby ensuring proper process parameters for incorporating the piezoresistive layer into the polymer MEMS accelerometer. The microfabrication process flow and unit processes followed are extremely low cost with process temperatures below 100 °C. This also opens up a new possibility for easy integration of such polymer MEMS with CMOS (complementary metal oxide semiconductor) devices and circuits. The fabricated devices were characterized using laser Doppler vibrometer (LDV) and the devices exhibited a resonant frequency of 10.8 kHz and a response sensitivity of 280 nm g −1 at resonance. The main focus of this paper is on the SU-8/CB nanocomposite piezoresistive MEMS accelerometer technology development which covers the material and the fabrication aspects of these devices. CoventorWare FEA analysis performed using the extracted material properties from the experimental characterization which are in close agreement to performance parameters of the fabricated devices is also discussed. The simulated piezoresistive polymer MEMS devices showed an acceleration sensitivity of 126 nm g −1 and 82 ppm of Δ R / R per 1 g of acceleration. (paper)

  2. Bioinspired Nanocomposite Hydrogels with Highly Ordered Structures.

    Zhao, Ziguang; Fang, Ruochen; Rong, Qinfeng; Liu, Mingjie

    2017-12-01

    In the human body, many soft tissues with hierarchically ordered composite structures, such as cartilage, skeletal muscle, the corneas, and blood vessels, exhibit highly anisotropic mechanical strength and functionality to adapt to complex environments. In artificial soft materials, hydrogels are analogous to these biological soft tissues due to their "soft and wet" properties, their biocompatibility, and their elastic performance. However, conventional hydrogel materials with unordered homogeneous structures inevitably lack high mechanical properties and anisotropic functional performances; thus, their further application is limited. Inspired by biological soft tissues with well-ordered structures, researchers have increasingly investigated highly ordered nanocomposite hydrogels as functional biological engineering soft materials with unique mechanical, optical, and biological properties. These hydrogels incorporate long-range ordered nanocomposite structures within hydrogel network matrixes. Here, the critical design criteria and the state-of-the-art fabrication strategies of nanocomposite hydrogels with highly ordered structures are systemically reviewed. Then, recent progress in applications in the fields of soft actuators, tissue engineering, and sensors is highlighted. The future development and prospective application of highly ordered nanocomposite hydrogels are also discussed. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. In situ SU-8 silver nanocomposites

    Søren V. Fischer

    2015-07-01

    Full Text Available Nanocomposite materials containing metal nanoparticles are of considerable interest in photonics and optoelectronics applications. However, device fabrication of such materials always encounters the challenge of incorporation of preformed nanoparticles into photoresist materials. As a solution to this problem, an easy new method of fabricating silver nanocomposites by an in situ reduction of precursors within the epoxy-based photoresist SU-8 has been developed. AgNO3 dissolved in acetonitrile and mixed with the epoxy-based photoresist SU-8 forms silver nanoparticles primarily during the pre- and post-exposure soft bake steps at 95 °C. A further high-temperature treatment at 300 °C resulted in the formation of densely homogeneously distributed silver nanoparticles in the photoresist matrix. No particle growth or agglomeration of nanoparticles is observed at this point. The reported new in situ silver nanocomposite materials can be spin coated as homogeneous thin films and structured by using UV lithography. A resolution of 5 µm is achieved in the lithographic process. The UV exposure time is found to be independent of the nanoparticle concentration. The fabricated silver nanocomposites exhibit high plasmonic responses suitable for the development of new optoelectronic and optical sensing devices.

  4. Incorporating population viability models into species status assessment and listing decisions under the U.S. Endangered Species Act

    Conor P. McGowan

    2017-10-01

    Full Text Available Assessment of a species' status is a key part of management decision making for endangered and threatened species under the U.S. Endangered Species Act. Predicting the future state of the species is an essential part of species status assessment, and projection models can play an important role in developing predictions. We built a stochastic simulation model that incorporated parametric and environmental uncertainty to predict the probable future status of the Sonoran desert tortoise in the southwestern United States and North Central Mexico. Sonoran desert tortoise was a Candidate species for listing under the Endangered Species Act, and decision makers wanted to use model predictions in their decision making process. The model accounted for future habitat loss and possible effects of climate change induced droughts to predict future population growth rates, abundances, and quasi-extinction probabilities. Our model predicts that the population will likely decline over the next few decades, but there is very low probability of quasi-extinction less than 75 years into the future. Increases in drought frequency and intensity may increase extinction risk for the species. Our model helped decision makers predict and characterize uncertainty about the future status of the species in their listing decision. We incorporated complex ecological processes (e.g., climate change effects on tortoises in transparent and explicit ways tailored to support decision making processes related to endangered species.

  5. Incorporating population viability models into species status assessment and listing decisions under the U.S. Endangered Species Act

    McGowan, Conor P.; Allan, Nathan; Servoss, Jeff; Hedwall, Shaula J.; Wooldridge, Brian

    2017-01-01

    Assessment of a species' status is a key part of management decision making for endangered and threatened species under the U.S. Endangered Species Act. Predicting the future state of the species is an essential part of species status assessment, and projection models can play an important role in developing predictions. We built a stochastic simulation model that incorporated parametric and environmental uncertainty to predict the probable future status of the Sonoran desert tortoise in the southwestern United States and North Central Mexico. Sonoran desert tortoise was a Candidate species for listing under the Endangered Species Act, and decision makers wanted to use model predictions in their decision making process. The model accounted for future habitat loss and possible effects of climate change induced droughts to predict future population growth rates, abundances, and quasi-extinction probabilities. Our model predicts that the population will likely decline over the next few decades, but there is very low probability of quasi-extinction less than 75 years into the future. Increases in drought frequency and intensity may increase extinction risk for the species. Our model helped decision makers predict and characterize uncertainty about the future status of the species in their listing decision. We incorporated complex ecological processes (e.g., climate change effects on tortoises) in transparent and explicit ways tailored to support decision making processes related to endangered species.

  6. Development and synthesis nanocompositions DLC coatings with orientation effect

    Levchenko, V.A.; Novoselova, N.V.; Matveenko, V.N.

    2008-01-01

    On the basis of volume modelling and a detailed experimental research of physical and chemical properties nanocompositions DLC with one-dimensional highly orientationally the carbon structure on interphase border of section with lubricant as models tribological knot, proves typical models of synthesis new nanocompositions the DLC possessing high tribological properties (by high wear resistance, low of a friction, etc.). The influence mechanism orientation properties of a surface of the synthesized coatings on molecular in a boundary lubricant layer is investigated. On basis tribological experimental batch tests nanocompositions the carbon coatings possessing orientation effect, the synthesis mechanism highly orientationally DLC coatings with optimum tribological properties is developed.

  7. Ultrahard carbon nanocomposite films

    Siegal, M. P. [Sandia National Laboratories, Albuquerque, New Mexico 87185-1421 (United States); Tallant, D. R. [Sandia National Laboratories, Albuquerque, New Mexico 87185-1421 (United States); Provencio, P. N. [Sandia National Laboratories, Albuquerque, New Mexico 87185-1421 (United States); Overmyer, D. L. [Sandia National Laboratories, Albuquerque, New Mexico 87185-1421 (United States); Simpson, R. L. [Sandia National Laboratories, Albuquerque, New Mexico 87185-1421 (United States); Martinez-Miranda, L. J. [Department of Materials and Nuclear Engineering, University of Maryland, College Park, Maryland 20742 (United States)

    2000-05-22

    Modest thermal annealing to 600 degree sign C of diamondlike amorphous-carbon (a-C) films grown at room temperature results in the formation of carbon nanocomposites with hardness similar to diamond. These nanocomposite films consist of nanometer-sized regions of high density a-C embedded in an a-C matrix with a reduced density of 5%-10%. We report on the evolution of density and bonding topologies as a function of annealing temperature. Despite a decrease in density, film hardness actually increases {approx}15% due to the development of the nanocomposite structure. (c) 2000 American Institute of Physics.

  8. Ultrahard carbon nanocomposite films

    SIEGAL,MICHAEL P.; TALLANT,DAVID R.; PROVENCIO,PAULA P.; OVERMYER,DONALD L.; SIMPSON,REGINA L.; MARTINEZ-MIRANDA,L.J.

    2000-01-27

    Modest thermal annealing to 600 C of diamondlike amorphous-carbon (a-C) films grown at room temperature results in the formation of carbon nanocomposites with hardness similar to diamond. These nanocomposite films consist of nanometer-sized regions of high density a-C embedded in an a-C matrix with a reduced density of 5--10%. The authors report on the evolution of density and bonding topologies as a function of annealing temperature. Despite a decrease in density, film hardness actually increases {approximately} 15% due to the development of the nanocomposite structure.

  9. Simplex network modeling for press-molded ceramic bodies incorporated with granite waste

    Pedroti, L.G.; Vieira, C.M.F.; Alexandre, J.; Monteiro, S.N.; Xavier, G.C.

    2012-01-01

    Extrusion of a clay body is the most commonly applied process in the ceramic industries for manufacturing structural block. Nowadays, the assembly of such blocks through a fitting system that facilitates the final mounting is gaining attention owing to the saving in material and reducing in the cost of the building construction. In this work, the ideal composition of clay bodies incorporated with granite powder waste was investigated for the production of press-molded ceramic blocks. An experimental design was applied to determine the optimum properties and microstructures involving not only the precursors compositions but also the press and temperature conditions. Press load from 15 ton and temperatures from 850 to 1050°C were considered. The results indicated that varying mechanical strength of 2 MPa to 20 MPa and varying water absorption of 19% to 30%. (author)

  10. A new general methodology for incorporating physico-chemical transformations into multi-phase wastewater treatment process models.

    Lizarralde, I; Fernández-Arévalo, T; Brouckaert, C; Vanrolleghem, P; Ikumi, D S; Ekama, G A; Ayesa, E; Grau, P

    2015-05-01

    This paper introduces a new general methodology for incorporating physico-chemical and chemical transformations into multi-phase wastewater treatment process models in a systematic and rigorous way under a Plant-Wide modelling (PWM) framework. The methodology presented in this paper requires the selection of the relevant biochemical, chemical and physico-chemical transformations taking place and the definition of the mass transport for the co-existing phases. As an example a mathematical model has been constructed to describe a system for biological COD, nitrogen and phosphorus removal, liquid-gas transfer, precipitation processes, and chemical reactions. The capability of the model has been tested by comparing simulated and experimental results for a nutrient removal system with sludge digestion. Finally, a scenario analysis has been undertaken to show the potential of the obtained mathematical model to study phosphorus recovery. Copyright © 2015 Elsevier Ltd. All rights reserved.

  11. Using stochastic models to incorporate spatial and temporal variability [Exercise 14

    Carolyn Hull Sieg; Rudy M. King; Fred Van Dyke

    2003-01-01

    To this point, our analysis of population processes and viability in the western prairie fringed orchid has used only deterministic models. In this exercise, we conduct a similar analysis, using a stochastic model instead. This distinction is of great importance to population biology in general and to conservation biology in particular. In deterministic models,...

  12. A Mass Balance Model for Designing Green Roof Systems that Incorporate a Cistern for Re-Use

    Manoj Chopra

    2012-11-01

    Full Text Available Green roofs, which have been used for several decades in many parts of the world, offer a unique and sustainable approach to stormwater management. Within this paper, evidence is presented on water retention for an irrigated green roof system. The presented green roof design results in a water retention volume on site. A first principle mass balance computer model is introduced to assist with the design of these green roof systems which incorporate a cistern to capture and reuse runoff waters for irrigation of the green roof. The model is used to estimate yearly stormwater retention volume for different cistern storage volumes. Additionally, the Blaney and Criddle equation is evaluated for estimation of monthly evapotranspiration rates for irrigated systems and incorporated into the model. This is done so evapotranspiration rates can be calculated for regions where historical data does not exist, allowing the model to be used anywhere historical weather data are available. This model is developed and discussed within this paper as well as compared to experimental results.

  13. Incorporating Cold Cap Behavior in a Joule-heated Waste Glass Melter Model

    Varija Agarwal; Donna Post Guillen

    2013-08-01

    In this paper, an overview of Joule-heated waste glass melters used in the vitrification of high level waste (HLW) is presented, with a focus on the cold cap region. This region, in which feed-to-glass conversion reactions occur, is critical in determining the melting properties of any given glass melter. An existing 1D computer model of the cold cap, implemented in MATLAB, is described in detail. This model is a standalone model that calculates cold cap properties based on boundary conditions at the top and bottom of the cold cap. Efforts to couple this cold cap model with a 3D STAR-CCM+ model of a Joule-heated melter are then described. The coupling is being implemented in ModelCenter, a software integration tool. The ultimate goal of this model is to guide the specification of melter parameters that optimize glass quality and production rate.

  14. Tribology of Nanocomposites

    2013-01-01

    This book provides recent information on nanocomposites tribology. Chapter 1 provides information on tribology of bulk polymer nanocomposites and nanocomposite coatings. Chapter 2 is dedicated to nano and micro PTFE for surface lubrication of carbon fabric reinforced polyethersulphone composites. Chapter 3 describes Tribology of MoS2 -based nanocomposites. Chapter 4 contains information on friction and wear of Al2O2 -based composites with dispersed and agglomerated nanoparticles. Finally, chapter 5 is dedicated to wear of multi-scale phase reinforced composites. It is a useful reference for academics, materials and physics researchers, materials, mechanical and manufacturing engineers, both as final undergraduate and postgraduate levels. It is a useful reference for academics, materials and physics researchers, materials, mechanical and manufacturing engineers, both as final undergraduate and postgraduate levels.

  15. Magnetic nanocomposite sensor

    Alfadhel, Ahmed; Li, Bodong; Kosel, Jü rgen

    2016-01-01

    A magnetic nanocomposite device is described herein for a wide range of sensing applications. The device utilizes the permanent magnetic behavior of the nanowires to allow operation without the application of an additional magnetic field

  16. Structural and electrical properties of polyaniline/silver nanocomposites

    Afzal, Asma B; Akhtar, M J; Nadeem, M; Ahmad, M [Physics Division, PINSTECH, PO Nilore, Islamabad (Pakistan); Hassan, M M; Yasin, T [Department of Chemical and Material Engineering, PIEAS, Islamabad 45650 (Pakistan); Mehmood, M [National Centre for Nanotechnology, PIEAS, Islamabad 45650 (Pakistan)], E-mail: javeda@pinstech.org.pk, E-mail: javed06@yahoo.com

    2009-01-07

    Polyaniline (PANI)/Ag nanocomposites were prepared by separate synthesis of silver nanoparticles by inert gas condensation, incorporating in the 1-methyl-2-pyrrolidinone (NMP) solution of polyaniline emeraldine base (PANIEB) and then cast into films at 120 deg. C. X-ray diffraction confirmed the presence of {approx}67 nm silver nanoparticles in the polyaniline matrix. From the thermogravimetric analysis it is observed that the nanocomposite films have a higher degradation temperature than the pure PANI film. Scanning electron microscopy showed a uniform distribution, with spherical and granular morphology for low concentration of Ag nanoparticles, whereas for higher concentration (1.0% Ag) nanorods are formed. The impedance spectroscopic studies of NMP plasticized nanocomposite films suggest microphase separation into reduced and oxidized repeat units. Incorporation of silver nanoparticles in PANI reduces the charge trapping centres and increases the conducting channels, which causes a tenfold decrease in the real part of impedance.

  17. Structural and electrical properties of polyaniline/silver nanocomposites

    Afzal, Asma B; Akhtar, M J; Nadeem, M; Ahmad, M; Hassan, M M; Yasin, T; Mehmood, M

    2009-01-01

    Polyaniline (PANI)/Ag nanocomposites were prepared by separate synthesis of silver nanoparticles by inert gas condensation, incorporating in the 1-methyl-2-pyrrolidinone (NMP) solution of polyaniline emeraldine base (PANIEB) and then cast into films at 120 deg. C. X-ray diffraction confirmed the presence of ∼67 nm silver nanoparticles in the polyaniline matrix. From the thermogravimetric analysis it is observed that the nanocomposite films have a higher degradation temperature than the pure PANI film. Scanning electron microscopy showed a uniform distribution, with spherical and granular morphology for low concentration of Ag nanoparticles, whereas for higher concentration (1.0% Ag) nanorods are formed. The impedance spectroscopic studies of NMP plasticized nanocomposite films suggest microphase separation into reduced and oxidized repeat units. Incorporation of silver nanoparticles in PANI reduces the charge trapping centres and increases the conducting channels, which causes a tenfold decrease in the real part of impedance.

  18. Incorporating shape constraints in generalized additive modelling of the height-diameter relationship for Norway spruce

    Natalya Pya

    2016-02-01

    Full Text Available Background: Measurements of tree heights and diameters are essential in forest assessment and modelling. Tree heights are used for estimating timber volume, site index and other important variables related to forest growth and yield, succession and carbon budget models. However, the diameter at breast height (dbh can be more accurately obtained and at lower cost, than total tree height. Hence, generalized height-diameter (h-d models that predict tree height from dbh, age and other covariates are needed. For a more flexible but biologically plausible estimation of covariate effects we use shape constrained generalized additive models as an extension of existing h-d model approaches. We use causal site parameters such as index of aridity to enhance the generality and causality of the models and to enable predictions under projected changeable climatic conditions. Methods: We develop unconstrained generalized additive models (GAM and shape constrained generalized additive models (SCAM for investigating the possible effects of tree-specific parameters such as tree age, relative diameter at breast height, and site-specific parameters such as index of aridity and sum of daily mean temperature during vegetation period, on the h-d relationship of forests in Lower Saxony, Germany. Results: Some of the derived effects, e.g. effects of age, index of aridity and sum of daily mean temperature have significantly non-linear pattern. The need for using SCAM results from the fact that some of the model effects show partially implausible patterns especially at the boundaries of data ranges. The derived model predicts monotonically increasing levels of tree height with increasing age and temperature sum and decreasing aridity and social rank of a tree within a stand. The definition of constraints leads only to marginal or minor decline in the model statistics like AIC. An observed structured spatial trend in tree height is modelled via 2-dimensional surface

  19. A selenium-deficient Caco-2 cell model for assessing differential incorporation of chemical or food selenium into glutathione peroxidase.

    Zeng, Huawei; Botnen, James H; Johnson, Luann K

    2008-01-01

    Assessing the ability of a selenium (Se) sample to induce cellular glutathione peroxidase (GPx) activity in Se-deficient animals is the most commonly used method to determine Se bioavailability. Our goal is to establish a Se-deficient cell culture model with differential incorporation of Se chemical forms into GPx, which may complement the in vivo studies. In the present study, we developed a Se-deficient Caco-2 cell model with a serum gradual reduction method. It is well recognized that selenomethionine (SeMet) is the major nutritional source of Se; therefore, SeMet, selenite, or methylselenocysteine (SeMSC) was added to cell culture media with different concentrations and treatment time points. We found that selenite and SeMSC induced GPx more rapidly than SeMet. However, SeMet was better retained as it is incorporated into proteins in place of methionine; compared with 8-, 24-, or 48-h treatment, 72-h Se treatment was a more sensitive time point to measure the potential of GPx induction in all tested concentrations. Based on induction of GPx activity, the cellular bioavailability of Se from an extract of selenobroccoli after a simulated gastrointestinal digestion was comparable with that of SeMSC and SeMet. These in vitro data are, for the first time, consistent with previous published data regarding selenite and SeMet bioavailability in animal models and Se chemical speciation studies with broccoli. Thus, Se-deficient Caco-2 cell model with differential incorporation of chemical or food forms of Se into GPx provides a new tool to study the cellular mechanisms of Se bioavailability.

  20. Integrative modelling of animal movement: incorporating in situ habitat and behavioural information for a migratory marine predator.

    Bestley, Sophie; Jonsen, Ian D; Hindell, Mark A; Guinet, Christophe; Charrassin, Jean-Benoît

    2013-01-07

    A fundamental goal in animal ecology is to quantify how environmental (and other) factors influence individual movement, as this is key to understanding responsiveness of populations to future change. However, quantitative interpretation of individual-based telemetry data is hampered by the complexity of, and error within, these multi-dimensional data. Here, we present an integrative hierarchical Bayesian state-space modelling approach where, for the first time, the mechanistic process model for the movement state of animals directly incorporates both environmental and other behavioural information, and observation and process model parameters are estimated within a single model. When applied to a migratory marine predator, the southern elephant seal (Mirounga leonina), we find the switch from directed to resident movement state was associated with colder water temperatures, relatively short dive bottom time and rapid descent rates. The approach presented here can have widespread utility for quantifying movement-behaviour (diving or other)-environment relationships across species and systems.

  1. Incorporating Latent Variables into Discrete Choice Models - A Simultaneous Estimation Approach Using SEM Software

    Dirk Temme

    2008-12-01

    Full Text Available Integrated choice and latent variable (ICLV models represent a promising new class of models which merge classic choice models with the structural equation approach (SEM for latent variables. Despite their conceptual appeal, applications of ICLV models in marketing remain rare. We extend previous ICLV applications by first estimating a multinomial choice model and, second, by estimating hierarchical relations between latent variables. An empirical study on travel mode choice clearly demonstrates the value of ICLV models to enhance the understanding of choice processes. In addition to the usually studied directly observable variables such as travel time, we show how abstract motivations such as power and hedonism as well as attitudes such as a desire for flexibility impact on travel mode choice. Furthermore, we show that it is possible to estimate such a complex ICLV model with the widely available structural equation modeling package Mplus. This finding is likely to encourage more widespread application of this appealing model class in the marketing field.

  2. Incorporating Protein Biosynthesis into the Saccharomyces cerevisiae Genome-scale Metabolic Model

    Olivares Hernandez, Roberto

    Based on stoichiometric biochemical equations that occur into the cell, the genome-scale metabolic models can quantify the metabolic fluxes, which are regarded as the final representation of the physiological state of the cell. For Saccharomyces Cerevisiae the genome scale model has been construc......Based on stoichiometric biochemical equations that occur into the cell, the genome-scale metabolic models can quantify the metabolic fluxes, which are regarded as the final representation of the physiological state of the cell. For Saccharomyces Cerevisiae the genome scale model has been...

  3. Quantitative analysis of CT brain images: a statistical model incorporating partial volume and beam hardening effects

    McLoughlin, R.F.; Ryan, M.V.; Heuston, P.M.; McCoy, C.T.; Masterson, J.B.

    1992-01-01

    The purpose of this study was to construct and evaluate a statistical model for the quantitative analysis of computed tomographic brain images. Data were derived from standard sections in 34 normal studies. A model representing the intercranial pure tissue and partial volume areas, with allowance for beam hardening, was developed. The average percentage error in estimation of areas, derived from phantom tests using the model, was 28.47%. We conclude that our model is not sufficiently accurate to be of clinical use, even though allowance was made for partial volume and beam hardening effects. (author)

  4. Incorporation of Satellite Data and Uncertainty in a Nationwide Groundwater Recharge Model in New Zealand

    Rogier Westerhoff

    2018-01-01

    Full Text Available A nationwide model of groundwater recharge for New Zealand (NGRM, as described in this paper, demonstrated the benefits of satellite data and global models to improve the spatial definition of recharge and the estimation of recharge uncertainty. NGRM was inspired by the global-scale WaterGAP model but with the key development of rainfall recharge calculation on scales relevant to national- and catchment-scale studies (i.e., a 1 km × 1 km cell size and a monthly timestep in the period 2000–2014 provided by satellite data (i.e., MODIS-derived evapotranspiration, AET and vegetation in combination with national datasets of rainfall, elevation, soil and geology. The resulting nationwide model calculates groundwater recharge estimates, including their uncertainty, consistent across the country, which makes the model unique compared to all other New Zealand estimates targeted towards groundwater recharge. At the national scale, NGRM estimated an average recharge of 2500 m 3 /s, or 298 mm/year, with a model uncertainty of 17%. Those results were similar to the WaterGAP model, but the improved input data resulted in better spatial characteristics of recharge estimates. Multiple uncertainty analyses led to these main conclusions: the NGRM model could give valuable initial estimates in data-sparse areas, since it compared well to most ground-observed lysimeter data and local recharge models; and the nationwide input data of rainfall and geology caused the largest uncertainty in the model equation, which revealed that the satellite data could improve spatial characteristics without significantly increasing the uncertainty. Clearly the increasing volume and availability of large-scale satellite data is creating more opportunities for the application of national-scale models at the catchment, and smaller, scales. This should result in improved utility of these models including provision of initial estimates in data-sparse areas. Topics for future

  5. A mathematical model for maximizing the value of phase 3 drug development portfolios incorporating budget constraints and risk.

    Patel, Nitin R; Ankolekar, Suresh; Antonijevic, Zoran; Rajicic, Natasa

    2013-05-10

    We describe a value-driven approach to optimizing pharmaceutical portfolios. Our approach incorporates inputs from research and development and commercial functions by simultaneously addressing internal and external factors. This approach differentiates itself from current practices in that it recognizes the impact of study design parameters, sample size in particular, on the portfolio value. We develop an integer programming (IP) model as the basis for Bayesian decision analysis to optimize phase 3 development portfolios using expected net present value as the criterion. We show how this framework can be used to determine optimal sample sizes and trial schedules to maximize the value of a portfolio under budget constraints. We then illustrate the remarkable flexibility of the IP model to answer a variety of 'what-if' questions that reflect situations that arise in practice. We extend the IP model to a stochastic IP model to incorporate uncertainty in the availability of drugs from earlier development phases for phase 3 development in the future. We show how to use stochastic IP to re-optimize the portfolio development strategy over time as new information accumulates and budget changes occur. Copyright © 2013 John Wiley & Sons, Ltd.

  6. Group spike-and-slab lasso generalized linear models for disease prediction and associated genes detection by incorporating pathway information.

    Tang, Zaixiang; Shen, Yueping; Li, Yan; Zhang, Xinyan; Wen, Jia; Qian, Chen'ao; Zhuang, Wenzhuo; Shi, Xinghua; Yi, Nengjun

    2018-03-15

    Large-scale molecular data have been increasingly used as an important resource for prognostic prediction of diseases and detection of associated genes. However, standard approaches for omics data analysis ignore the group structure among genes encoded in functional relationships or pathway information. We propose new Bayesian hierarchical generalized linear models, called group spike-and-slab lasso GLMs, for predicting disease outcomes and detecting associated genes by incorporating large-scale molecular data and group structures. The proposed model employs a mixture double-exponential prior for coefficients that induces self-adaptive shrinkage amount on different coefficients. The group information is incorporated into the model by setting group-specific parameters. We have developed a fast and stable deterministic algorithm to fit the proposed hierarchal GLMs, which can perform variable selection within groups. We assess the performance of the proposed method on several simulated scenarios, by varying the overlap among groups, group size, number of non-null groups, and the correlation within group. Compared with existing methods, the proposed method provides not only more accurate estimates of the parameters but also better prediction. We further demonstrate the application of the proposed procedure on three cancer datasets by utilizing pathway structures of genes. Our results show that the proposed method generates powerful models for predicting disease outcomes and detecting associated genes. The methods have been implemented in a freely available R package BhGLM (http://www.ssg.uab.edu/bhglm/). nyi@uab.edu. Supplementary data are available at Bioinformatics online.

  7. Nano-composite materials

    Lee, Se-Hee; Tracy, C. Edwin; Pitts, J. Roland

    2010-05-25

    Nano-composite materials are disclosed. An exemplary method of producing a nano-composite material may comprise co-sputtering a transition metal and a refractory metal in a reactive atmosphere. The method may also comprise co-depositing a transition metal and a refractory metal composite structure on a substrate. The method may further comprise thermally annealing the deposited transition metal and refractory metal composite structure in a reactive atmosphere.

  8. Aerofoil broadband and tonal noise modelling using stochastic sound sources and incorporated large scale fluctuations

    Proskurov, S.; Darbyshire, O. R.; Karabasov, S. A.

    2017-12-01

    The present work discusses modifications to the stochastic Fast Random Particle Mesh (FRPM) method featuring both tonal and broadband noise sources. The technique relies on the combination of incorporated vortex-shedding resolved flow available from Unsteady Reynolds-Averaged Navier-Stokes (URANS) simulation with the fine-scale turbulence FRPM solution generated via the stochastic velocity fluctuations in the context of vortex sound theory. In contrast to the existing literature, our method encompasses a unified treatment for broadband and tonal acoustic noise sources at the source level, thus, accounting for linear source interference as well as possible non-linear source interaction effects. When sound sources are determined, for the sound propagation, Acoustic Perturbation Equations (APE-4) are solved in the time-domain. Results of the method's application for two aerofoil benchmark cases, with both sharp and blunt trailing edges are presented. In each case, the importance of individual linear and non-linear noise sources was investigated. Several new key features related to the unsteady implementation of the method were tested and brought into the equation. Encouraging results have been obtained for benchmark test cases using the new technique which is believed to be potentially applicable to other airframe noise problems where both tonal and broadband parts are important.

  9. Incorporating technology buying behaviour into UK-based long term domestic stock energy models to provide improved policy analysis

    Lee, Timothy; Yao, Runming

    2013-01-01

    The UK has a target for an 80% reduction in CO 2 emissions by 2050 from a 1990 base. Domestic energy use accounts for around 30% of total emissions. This paper presents a comprehensive review of existing models and modelling techniques and indicates how they might be improved by considering individual buying behaviour. Macro (top-down) and micro (bottom-up) models have been reviewed and analysed. It is found that bottom-up models can project technology diffusion due to their higher resolution. The weakness of existing bottom-up models at capturing individual green technology buying behaviour has been identified. Consequently, Markov chains, neural networks and agent-based modelling are proposed as possible methods to incorporate buying behaviour within a domestic energy forecast model. Among the three methods, agent-based models are found to be the most promising, although a successful agent approach requires large amounts of input data. A prototype agent-based model has been developed and tested, which demonstrates the feasibility of an agent approach. This model shows that an agent-based approach is promising as a means to predict the effectiveness of various policy measures. - Highlights: ► Long term energy models are reviewed with a focus on UK domestic stock models. ► Existing models are found weak in modelling green technology buying behaviour. ► Agent models, Markov chains and neural networks are considered as solutions. ► Agent-based modelling (ABM) is found to be the most promising approach. ► A prototype ABM is developed and testing indicates a lot of potential.

  10. Nanocomposites of Polyacrylic Acid Nanogels and Biodegradable Polyhydroxybutyrate for Bone Regeneration and Drug Delivery

    Mikael Larsson

    2014-01-01

    Full Text Available Biodegradable cell scaffolds and local drug delivery to stimulate cell response are currently receiving much scientific attention. Here we present a nanocomposite that combines biodegradation with controlled release of lithium, which is known to enhance bone growth. Nanogels of lithium neutralized polyacrylic acid were synthesized by microemulsion-templated polymerization and were incorporated into a biodegradable polyhydroxybutyrate (PHB matrix. Nanogel size was characterized using dynamic light scattering, and the nanocomposites were characterized with regard to structure using scanning electron microscopy, mechanical properties using tensile testing, permeability using tritiated water, and lithium release in PBS using a lithium specific electrode. The nanogels were well dispersed in the composites and the mechanical properties were good, with a decrease in elastic modulus being compensated by increased tolerance to strain in the wet state. Approximately half of the lithium was released over about three hours, with the remaining fraction being trapped in the PHB for subsequent slow release during biodegradation. The prepared nanocomposites seem promising for use as dual functional scaffolds for bone regeneration. Here lithium ions were chosen as model drug, but the nanogels could potentially act as carriers for larger and more complex drugs, possibly while still carrying lithium.

  11. Using expert knowledge to incorporate uncertainty in cause-of-death assignments for modeling of cause-specific mortality

    Walsh, Daniel P.; Norton, Andrew S.; Storm, Daniel J.; Van Deelen, Timothy R.; Heisy, Dennis M.

    2018-01-01

    Implicit and explicit use of expert knowledge to inform ecological analyses is becoming increasingly common because it often represents the sole source of information in many circumstances. Thus, there is a need to develop statistical methods that explicitly incorporate expert knowledge, and can successfully leverage this information while properly accounting for associated uncertainty during analysis. Studies of cause-specific mortality provide an example of implicit use of expert knowledge when causes-of-death are uncertain and assigned based on the observer's knowledge of the most likely cause. To explicitly incorporate this use of expert knowledge and the associated uncertainty, we developed a statistical model for estimating cause-specific mortality using a data augmentation approach within a Bayesian hierarchical framework. Specifically, for each mortality event, we elicited the observer's belief of cause-of-death by having them specify the probability that the death was due to each potential cause. These probabilities were then used as prior predictive values within our framework. This hierarchical framework permitted a simple and rigorous estimation method that was easily modified to include covariate effects and regularizing terms. Although applied to survival analysis, this method can be extended to any event-time analysis with multiple event types, for which there is uncertainty regarding the true outcome. We conducted simulations to determine how our framework compared to traditional approaches that use expert knowledge implicitly and assume that cause-of-death is specified accurately. Simulation results supported the inclusion of observer uncertainty in cause-of-death assignment in modeling of cause-specific mortality to improve model performance and inference. Finally, we applied the statistical model we developed and a traditional method to cause-specific survival data for white-tailed deer, and compared results. We demonstrate that model selection

  12. Incorporating NDVI in a gravity model setting to describe spatio-temporal patterns of Lyme borreliosis incidence

    Barrios, J. M.; Verstraeten, W. W.; Farifteh, J.; Maes, P.; Aerts, J. M.; Coppin, P.

    2012-04-01

    Lyme borreliosis (LB) is the most common tick-borne disease in Europe and incidence growth has been reported in several European countries during the last decade. LB is caused by the bacterium Borrelia burgdorferi and the main vector of this pathogen in Europe is the tick Ixodes ricinus. LB incidence and spatial spread is greatly dependent on environmental conditions impacting habitat, demography and trophic interactions of ticks and the wide range of organisms ticks parasite. The landscape configuration is also a major determinant of tick habitat conditions and -very important- of the fashion and intensity of human interaction with vegetated areas, i.e. human exposure to the pathogen. Hence, spatial notions as distance and adjacency between urban and vegetated environments are related to human exposure to tick bites and, thus, to risk. This work tested the adequacy of a gravity model setting to model the observed spatio-temporal pattern of LB as a function of location and size of urban and vegetated areas and the seasonal and annual change in the vegetation dynamics as expressed by MODIS NDVI. Opting for this approach implies an analogy with Newton's law of universal gravitation in which the attraction forces between two bodies are directly proportional to the bodies mass and inversely proportional to distance. Similar implementations have proven useful in fields like trade modeling, health care service planning, disease mapping among other. In our implementation, the size of human settlements and vegetated systems and the distance separating these landscape elements are considered the 'bodies'; and the 'attraction' between them is an indicator of exposure to pathogen. A novel element of this implementation is the incorporation of NDVI to account for the seasonal and annual variation in risk. The importance of incorporating this indicator of vegetation activity resides in the fact that alterations of LB incidence pattern observed the last decade have been ascribed

  13. On Rationality of Decision Models Incorporating Emotion-Related Valuing and Hebbian Learning

    Treur, J.; Umair, M.

    2011-01-01

    In this paper an adaptive decision model based on predictive loops through feeling states is analysed from the perspective of rationality. Four different variations of Hebbian learning are considered for different types of connections in the decision model. To assess the extent of rationality, a

  14. Approaches to incorporating climate change effects in state and transition simulation models of vegetation

    Becky K. Kerns; Miles A. Hemstrom; David Conklin; Gabriel I. Yospin; Bart Johnson; Dominique Bachelet; Scott Bridgham

    2012-01-01

    Understanding landscape vegetation dynamics often involves the use of scientifically-based modeling tools that are capable of testing alternative management scenarios given complex ecological, management, and social conditions. State-and-transition simulation model (STSM) frameworks and software such as PATH and VDDT are commonly used tools that simulate how landscapes...

  15. Incorporating additional tree and environmental variables in a lodgepole pine stem profile model

    John C. Byrne

    1993-01-01

    A new variable-form segmented stem profile model is developed for lodgepole pine (Pinus contorta) trees from the northern Rocky Mountains of the United States. I improved estimates of stem diameter by predicting two of the model coefficients with linear equations using a measure of tree form, defined as a ratio of dbh and total height. Additional improvements were...

  16. Mathematical Modelling in the Junior Secondary Years: An Approach Incorporating Mathematical Technology

    Lowe, James; Carter, Merilyn; Cooper, Tom

    2018-01-01

    Mathematical models are conceptual processes that use mathematics to describe, explain, and/or predict the behaviour of complex systems. This article is written for teachers of mathematics in the junior secondary years (including out-of-field teachers of mathematics) who may be unfamiliar with mathematical modelling, to explain the steps involved…

  17. Incorporating Response Times in Item Response Theory Models of Reading Comprehension Fluency

    Su, Shiyang

    2017-01-01

    With the online assessment becoming mainstream and the recording of response times becoming straightforward, the importance of response times as a measure of psychological constructs has been recognized and the literature of modeling times has been growing during the last few decades. Previous studies have tried to formulate models and theories to…

  18. Incorporating Video Modeling into a School-Based Intervention for Students with Autism Spectrum Disorders

    Wilson, Kaitlyn P.

    2013-01-01

    Purpose: Video modeling is an intervention strategy that has been shown to be effective in improving the social and communication skills of students with autism spectrum disorders, or ASDs. The purpose of this tutorial is to outline empirically supported, step-by-step instructions for the use of video modeling by school-based speech-language…

  19. LINKING MICROBES TO CLIMATE: INCORPORATING MICROBIAL ACTIVITY INTO CLIMATE MODELS COLLOQUIUM

    DeLong, Edward; Harwood, Caroline; Reid, Ann

    2011-01-01

    This report explains the connection between microbes and climate, discusses in general terms what modeling is and how it applied to climate, and discusses the need for knowledge in microbial physiology, evolution, and ecology to contribute to the determination of fluxes and rates in climate models. It recommends with a multi-pronged approach to address the gaps.

  20. Experimental Investigation of Mechanical and Thermal Properties of Silica Nanoparticle-Reinforced Poly(acrylamide) Nanocomposite Hydrogels.

    Zaragoza, Josergio; Babhadiashar, Nasim; O'Brien, Victor; Chang, Andrew; Blanco, Matthew; Zabalegui, Aitor; Lee, Hohyun; Asuri, Prashanth

    2015-01-01

    Current studies investigating properties of nanoparticle-reinforced polymers have shown that nanocomposites often exhibit improved properties compared to neat polymers. However, over two decades of research, using both experimental studies and modeling analyses, has not fully elucidated the mechanistic underpinnings behind these enhancements. Moreover, few studies have focused on developing an understanding among two or more polymer properties affected by incorporation of nanomaterials. In our study, we investigated the elastic and thermal properties of poly(acrylamide) hydrogels containing silica nanoparticles. Both nanoparticle concentration and size affected hydrogel properties, with similar trends in enhancements observed for elastic modulus and thermal diffusivity. We also observed significantly lower swellability for hydrogel nanocomposites relative to neat hydrogels, consistent with previous work suggesting that nanoparticles can mediate pseudo crosslinking within polymer networks. Collectively, these results indicate the ability to develop next-generation composite materials with enhanced mechanical and thermal properties by increasing the average crosslinking density using nanoparticles.

  1. A model for arsenic anti-site incorporation in GaAs grown by hydride vapor phase epitaxy

    Schulte, K. L.; Kuech, T. F. [Department of Chemical and Biological Engineering, University of Wisconsin-Madison, Madison, Wisconsin 53706 (United States)

    2014-12-28

    GaAs growth by hydride vapor phase epitaxy (HVPE) has regained interest as a potential route to low cost, high efficiency thin film photovoltaics. In order to attain the highest efficiencies, deep level defect incorporation in these materials must be understood and controlled. The arsenic anti-site defect, As{sub Ga} or EL2, is the predominant deep level defect in HVPE-grown GaAs. In the present study, the relationships between HVPE growth conditions and incorporation of EL2 in GaAs epilayers were determined. Epitaxial n-GaAs layers were grown under a wide range of deposition temperatures (T{sub D}) and gallium chloride partial pressures (P{sub GaCl}), and the EL2 concentration, [EL2], was determined by deep level transient spectroscopy. [EL2] agreed with equilibrium thermodynamic predictions in layers grown under conditions in which the growth rate, R{sub G}, was controlled by conditions near thermodynamic equilibrium. [EL2] fell below equilibrium levels when R{sub G} was controlled by surface kinetic processes, with the disparity increasing as R{sub G} decreased. The surface chemical composition during growth was determined to have a strong influence on EL2 incorporation. Under thermodynamically limited growth conditions, e.g., high T{sub D} and/or low P{sub GaCl}, the surface vacancy concentration was high and the bulk crystal was close to equilibrium with the vapor phase. Under kinetically limited growth conditions, e.g., low T{sub D} and/or high P{sub GaCl}, the surface attained a high GaCl coverage, blocking As adsorption. This competitive adsorption process reduced the growth rate and also limited the amount of arsenic that incorporated as As{sub Ga}. A defect incorporation model which accounted for the surface concentration of arsenic as a function of the growth conditions, was developed. This model was used to identify optimal growth parameters for the growth of thin films for photovoltaics, conditions in which a high growth rate and low [EL2] could be

  2. A LabVIEW model incorporating an open-loop arterial impedance and a closed-loop circulatory system.

    Cole, R T; Lucas, C L; Cascio, W E; Johnson, T A

    2005-11-01

    While numerous computer models exist for the circulatory system, many are limited in scope, contain unwanted features or incorporate complex components specific to unique experimental situations. Our purpose was to develop a basic, yet multifaceted, computer model of the left heart and systemic circulation in LabVIEW having universal appeal without sacrificing crucial physiologic features. The program we developed employs Windkessel-type impedance models in several open-loop configurations and a closed-loop model coupling a lumped impedance and ventricular pressure source. The open-loop impedance models demonstrate afterload effects on arbitrary aortic pressure/flow inputs. The closed-loop model catalogs the major circulatory waveforms with changes in afterload, preload, and left heart properties. Our model provides an avenue for expanding the use of the ventricular equations through closed-loop coupling that includes a basic coronary circuit. Tested values used for the afterload components and the effects of afterload parameter changes on various waveforms are consistent with published data. We conclude that this model offers the ability to alter several circulatory factors and digitally catalog the most salient features of the pressure/flow waveforms employing a user-friendly platform. These features make the model a useful instructional tool for students as well as a simple experimental tool for cardiovascular research.

  3. Incorporating Daily Flood Control Objectives Into a Monthly Stochastic Dynamic Programing Model for a Hydroelectric Complex

    Druce, Donald J.

    1990-01-01

    A monthly stochastic dynamic programing model was recently developed and implemented at British Columbia (B.C.) Hydro to provide decision support for short-term energy exports and, if necessary, for flood control on the Peace River in northern British Columbia. The model establishes the marginal cost of supplying energy from the B.C. Hydro system, as well as a monthly operating policy for the G.M. Shrum and Peace Canyon hydroelectric plants and the Williston Lake storage reservoir. A simulation model capable of following the operating policy then determines the probability of refilling Williston Lake and possible spill rates and volumes. Reservoir inflows are input to both models in daily and monthly formats. The results indicate that flood control can be accommodated without sacrificing significant export revenue.

  4. Incorporating daily flood control objectives into a monthly stochastic dynamic programming model for a hydroelectric complex

    Druce, D.J. (British Columbia Hydro and Power Authority, Vancouver, British Columbia (Canada))

    1990-01-01

    A monthly stochastic dynamic programing model was recently developed and implemented at British Columbia (B.C.) Hydro to provide decision support for short-term energy exports and, if necessary, for flood control on the Peace River in northern British Columbia. The model established the marginal cost of supplying energy from the B.C. Hydro system, as well as a monthly operating policy for the G.M. Shrum and Peace Canyon hydroelectric plants and the Williston Lake storage reservoir. A simulation model capable of following the operating policy then determines the probability of refilling Williston Lake and possible spill rates and volumes. Reservoir inflows are input to both models in daily and monthly formats. The results indicate that flood control can be accommodated without sacrificing significant export revenue.

  5. Incorporating Pass-Phrase Dependent Background Models for Text-Dependent Speaker verification

    Sarkar, Achintya Kumar; Tan, Zheng-Hua

    2018-01-01

    -dependent. We show that the proposed method significantly reduces the error rates of text-dependent speaker verification for the non-target types: target-wrong and impostor-wrong while it maintains comparable TD-SV performance when impostors speak a correct utterance with respect to the conventional system......In this paper, we propose pass-phrase dependent background models (PBMs) for text-dependent (TD) speaker verification (SV) to integrate the pass-phrase identification process into the conventional TD-SV system, where a PBM is derived from a text-independent background model through adaptation using...... the utterances of a particular pass-phrase. During training, pass-phrase specific target speaker models are derived from the particular PBM using the training data for the respective target model. While testing, the best PBM is first selected for the test utterance in the maximum likelihood (ML) sense...

  6. Incorporation of sedimentological data into a calibrated groundwater flow and transport model

    Williams, N.J.; Young, S.C.; Barton, D.H.; Hurst, B.T.

    1997-01-01

    Analysis suggests that a high hydraulic conductivity (K) zone is associated with a former river channel at the Portsmouth Gaseous Diffusion Plant (PORTS). A two-dimensional (2-D) and three-dimensional (3-D) groundwater flow model was developed base on a sedimentological model to demonstrate the performance of a horizontal well for plume capture. The model produced a flow field with magnitudes and directions consistent with flow paths inferred from historical trichloroethylene (TCE) plume data. The most dominant feature affecting the well's performance was preferential high- and low-K zones. Based on results from the calibrated flow and transport model, a passive groundwater collection system was designed and built. Initial flow rates and concentrations measured from a gravity-drained horizontal well agree closely to predicted values

  7. Improving the phenotype predictions of a yeast genome-scale metabolic model by incorporating enzymatic constraints

    Sanchez, Benjamin J.; Zhang, Xi-Cheng; Nilsson, Avlant

    2017-01-01

    , which act as limitations on metabolic fluxes, are not taken into account. Here, we present GECKO, a method that enhances a GEM to account for enzymes as part of reactions, thereby ensuring that each metabolic flux does not exceed its maximum capacity, equal to the product of the enzyme's abundance...... and turnover number. We applied GECKO to a Saccharomyces cerevisiae GEM and demonstrated that the new model could correctly describe phenotypes that the previous model could not, particularly under high enzymatic pressure conditions, such as yeast growing on different carbon sources in excess, coping...... with stress, or overexpressing a specific pathway. GECKO also allows to directly integrate quantitative proteomics data; by doing so, we significantly reduced flux variability of the model, in over 60% of metabolic reactions. Additionally, the model gives insight into the distribution of enzyme usage between...

  8. Radmap: ''as-built'' cad models incorporating geometrical, radiological and material information

    Piotrowski, L.; Lubawy, J.L.

    2001-01-01

    EDF intends to achieve successful and cost-effective dismantling of its obsolete nuclear plants. To reach this goal, EDF is currently extending its ''as-built'' 3-D modelling system to also include the location and characteristics of gamma sources in the geometrical models of its nuclear installations. The resulting system (called RADMAP) is a complete CAD chain covering 3-D and gamma data acquisitions, CAD modelling and exploitation of the final model. Its aim is to describe completely the geometrical and radiological state of a particular nuclear environment. This paper presents an overall view of RADMAP. The technical and functional characteristics of each element of the chain are indicated and illustrated using real (EDF) environments/applications. (author)

  9. Incorporation of the time aspect into the liability-threshold model for case-control-family data

    Cederkvist, Luise; Holst, Klaus K.; Andersen, Klaus K.

    2017-01-01

    to estimates that are difficult to interpret and are potentially biased. We incorporate the time aspect into the liability-threshold model for case-control-family data following the same approach that has been applied in the twin setting. Thus, the data are considered as arising from a competing risks setting...... approach using simulation studies and apply it in the analysis of two Danish register-based case-control-family studies: one on cancer diagnosed in childhood and adolescence, and one on early-onset breast cancer....

  10. On Optimizing H. 264/AVC Rate Control by Improving R-D Model and Incorporating HVS Characteristics

    Jiang Gangyi

    2010-01-01

    Full Text Available The state-of-the-art JVT-G012 rate control algorithm of H.264 is improved from two aspects. First, the quadratic rate-distortion (R-D model is modified based on both empirical observations and theoretical analysis. Second, based on the existing physiological and psychological research findings of human vision, the rate control algorithm is optimized by incorporating the main characteristics of the human visual system (HVS such as contrast sensitivity, multichannel theory, and masking effect. Experiments are conducted, and experimental results show that the improved algorithm can simultaneously enhance the overall subjective visual quality and improve the rate control precision effectively.

  11. A qualitative comparison of fire spread models incorporating wind and slope effects

    David R. Weise; Gregory S. Biging

    1997-01-01

    Wind velocity and slope are two critical variables that affect wildland fire rate of spread. The effects of these variables on rate of spread are often combined in rate-of-spread models using vector addition. The various methods used to combine wind and slope effects have seldom been validated or compared due to differences in the models or to lack of data. In this...

  12. Simulation of a severe convective storm using a numerical model with explicitly incorporated aerosols

    Lompar, Miloš; Ćurić, Mladjen; Romanic, Djordje

    2017-09-01

    Despite an important role the aerosols play in all stages of cloud lifecycle, their representation in numerical weather prediction models is often rather crude. This paper investigates the effects the explicit versus implicit inclusion of aerosols in a microphysics parameterization scheme in Weather Research and Forecasting (WRF) - Advanced Research WRF (WRF-ARW) model has on cloud dynamics and microphysics. The testbed selected for this study is a severe mesoscale convective system with supercells that struck west and central parts of Serbia in the afternoon of July 21, 2014. Numerical products of two model runs, i.e. one with aerosols explicitly (WRF-AE) included and another with aerosols implicitly (WRF-AI) assumed, are compared against precipitation measurements from surface network of rain gauges, as well as against radar and satellite observations. The WRF-AE model accurately captured the transportation of dust from the north Africa over the Mediterranean and to the Balkan region. On smaller scales, both models displaced the locations of clouds situated above west and central Serbia towards southeast and under-predicted the maximum values of composite radar reflectivity. Similar to satellite images, WRF-AE shows the mesoscale convective system as a merged cluster of cumulonimbus clouds. Both models over-predicted the precipitation amounts; WRF-AE over-predictions are particularly pronounced in the zones of light rain, while WRF-AI gave larger outliers. Unlike WRF-AI, the WRF-AE approach enables the modelling of time evolution and influx of aerosols into the cloud which could be of practical importance in weather forecasting and weather modification. Several likely causes for discrepancies between models and observations are discussed and prospects for further research in this field are outlined.

  13. Debris flow analysis with a one dimensional dynamic run-out model that incorporates entrained material

    Luna, Byron Quan; Remaître, Alexandre; van Asch, Theo; Malet, Jean-Philippe; van Westen, Cees

    2010-05-01

    Estimating the magnitude and the intensity of rapid landslides like debris flows is fundamental to evaluate quantitatively the hazard in a specific location. Intensity varies through the travelled course of the flow and can be described by physical features such as deposited volume, velocities, height of the flow, impact forces and pressures. Dynamic run-out models are able to characterize the distribution of the material, its intensity and define the zone where the elements will experience an impact. These models can provide valuable inputs for vulnerability and risk calculations. However, most dynamic run-out models assume a constant volume during the motion of the flow, ignoring the important role of material entrained along its path. Consequently, they neglect that the increase of volume enhances the mobility of the flow and can significantly influence the size of the potential impact area. An appropriate erosion mechanism needs to be established in the analyses of debris flows that will improve the results of dynamic modeling and consequently the quantitative evaluation of risk. The objective is to present and test a simple 1D debris flow model with a material entrainment concept based on limit equilibrium considerations and the generation of excess pore water pressure through undrained loading of the in situ bed material. The debris flow propagation model is based on a one dimensional finite difference solution of a depth-averaged form of the Navier-Stokes equations of fluid motions. The flow is treated as a laminar one phase material, which behavior is controlled by a visco-plastic Coulomb-Bingham rheology. The model parameters are evaluated and the model performance is tested on a debris flow event that occurred in 2003 in the Faucon torrent (Southern French Alps).

  14. Creating a process for incorporating epidemiological modelling into outbreak management decisions.

    Akselrod, Hana; Mercon, Monica; Kirkeby Risoe, Petter; Schlegelmilch, Jeffrey; McGovern, Joanne; Bogucki, Sandy

    2012-01-01

    Modern computational models of infectious diseases greatly enhance our ability to understand new infectious threats and assess the effects of different interventions. The recently-released CDC Framework for Preventing Infectious Diseases calls for increased use of predictive modelling of epidemic emergence for public health preparedness. Currently, the utility of these technologies in preparedness and response to outbreaks is limited by gaps between modelling output and information requirements for incident management. The authors propose an operational structure that will facilitate integration of modelling capabilities into action planning for outbreak management, using the Incident Command System (ICS) and Synchronization Matrix framework. It is designed to be adaptable and scalable for use by state and local planners under the National Response Framework (NRF) and Emergency Support Function #8 (ESF-8). Specific epidemiological modelling requirements are described, and integrated with the core processes for public health emergency decision support. These methods can be used in checklist format to align prospective or real-time modelling output with anticipated decision points, and guide strategic situational assessments at the community level. It is anticipated that formalising these processes will facilitate translation of the CDC's policy guidance from theory to practice during public health emergencies involving infectious outbreaks.

  15. A new mathematical model of gastrointestinal transit incorporating age- and gender-dependent physiological parameters

    Stubbs, J.B.

    1992-01-01

    As part of the revision by the International Commission on Radiological Protection (ICRP) of its report on Reference Man, an extensive review of the literature regarding anatomy and morphology of the gastrointestinal (GI) tract has been completed. Data on age- and gender-dependent GI physiology and motility may be included in the proposed ICRP report. A new mathematical model describing the transit of substances through the GI tract as well as the absorption and secretion of material in the GI tract has been developed. This mathematical description of GI tract kinetics utilizes more physiologically accurate transit processes than the mathematically simple, but nonphysiological, GI tract model that was used in ICRP Report 30. The proposed model uses a combination of zero- and first-order kinetics to describe motility. Some of the physiological parameters that the new model accounts for include sex, age, pathophysiological condition and meal phase (solid versus liquid). A computer algorithm, written in BASIC, based on this new model has been derived and results are compared to those of the ICRP-30 model

  16. Enhanced stability of car-following model upon incorporation of short-term driving memory

    Liu, Da-Wei; Shi, Zhong-Ke; Ai, Wen-Huan

    2017-06-01

    Based on the full velocity difference model, a new car-following model is developed to investigate the effect of short-term driving memory on traffic flow in this paper. Short-term driving memory is introduced as the influence factor of driver's anticipation behavior. The stability condition of the newly developed model is derived and the modified Korteweg-de Vries (mKdV) equation is constructed to describe the traffic behavior near the critical point. Via numerical method, evolution of a small perturbation is investigated firstly. The results show that the improvement of this new car-following model over the previous ones lies in the fact that the new model can improve the traffic stability. Starting and breaking processes of vehicles in the signalized intersection are also investigated. The numerical simulations illustrate that the new model can successfully describe the driver's anticipation behavior, and that the efficiency and safety of the vehicles passing through the signalized intersection are improved by considering short-term driving memory.

  17. Physical, structural and thermomechanical properties of oil palm nano filler/kenaf/epoxy hybrid nanocomposites

    Saba, N., E-mail: naheedchem@gmail.com [Laboratory of Biocomposite Technology, Institute of Tropical Forestry and Forest Products(INTROP), Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Paridah, M.T. [Laboratory of Biocomposite Technology, Institute of Tropical Forestry and Forest Products(INTROP), Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Abdan, K. [Department of Biological and Agricultural Engineering, Faculty of Engineering, Universiti Putra Malaysia, 43400 UPM Serdang Selangor (Malaysia); Ibrahim, N.A. [Department of Chemistry, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia)

    2016-12-01

    The present research study deals with the fabrication of kenaf/epoxy hybrid nanocomposites by the incorporation of oil palm nano filler, montmorillonite (MMT) and organically modified montmorillonite (OMMT) at 3% loading, through hand lay-up technique. Effect of adding different nano fillers on the physical (density), structural [X-ray diffraction (XRD)] and thermomechanical analysis (TMA) of kenaf/epoxy composites were carried out. Density results revealed that the incorporation of nano filler in the kenaf/epoxy composites increases the density which in turn increases the hardness of the hybrid nanocomposites. XRD analysis confirmed the presence of nano fillers in the structure of their respective fabricated hybrid nanocomposites. All hybrid nanocomposites displayed lower coefficient of thermal expansion (CTE) with respect to kenaf/epoxy composites. Overall results predicted that the properties improvement in nano OPEFB/kenaf/epoxy was quite comparable to MMT/kenaf/epoxy but relatively lesser to OMMT/kenaf/epoxy hybrid nanocomposites and higher with respect to kenaf/epoxy composites. The improvement ascribed due to improved interfacial bonding or cross linking between kenaf fibers and epoxy matrix by addition of nano filler. - Highlights: • Nano OPEFB/kenaf/epoxy hybrid nanocomposites were fabricated by hand lay-up. • Effect of nano OPEFB on density & structure of kenaf/epoxy were investigated. • Thermal expansion coefficients of kenaf/epoxy and hybrid nanocomposites evaluated. • Comparative studies were made with MMT and OMMT kenaf/epoxy hybrid nanocomposites.

  18. Physical, structural and thermomechanical properties of oil palm nano filler/kenaf/epoxy hybrid nanocomposites

    Saba, N.; Paridah, M.T.; Abdan, K.; Ibrahim, N.A.

    2016-01-01

    The present research study deals with the fabrication of kenaf/epoxy hybrid nanocomposites by the incorporation of oil palm nano filler, montmorillonite (MMT) and organically modified montmorillonite (OMMT) at 3% loading, through hand lay-up technique. Effect of adding different nano fillers on the physical (density), structural [X-ray diffraction (XRD)] and thermomechanical analysis (TMA) of kenaf/epoxy composites were carried out. Density results revealed that the incorporation of nano filler in the kenaf/epoxy composites increases the density which in turn increases the hardness of the hybrid nanocomposites. XRD analysis confirmed the presence of nano fillers in the structure of their respective fabricated hybrid nanocomposites. All hybrid nanocomposites displayed lower coefficient of thermal expansion (CTE) with respect to kenaf/epoxy composites. Overall results predicted that the properties improvement in nano OPEFB/kenaf/epoxy was quite comparable to MMT/kenaf/epoxy but relatively lesser to OMMT/kenaf/epoxy hybrid nanocomposites and higher with respect to kenaf/epoxy composites. The improvement ascribed due to improved interfacial bonding or cross linking between kenaf fibers and epoxy matrix by addition of nano filler. - Highlights: • Nano OPEFB/kenaf/epoxy hybrid nanocomposites were fabricated by hand lay-up. • Effect of nano OPEFB on density & structure of kenaf/epoxy were investigated. • Thermal expansion coefficients of kenaf/epoxy and hybrid nanocomposites evaluated. • Comparative studies were made with MMT and OMMT kenaf/epoxy hybrid nanocomposites.

  19. Incorporating rainfall uncertainty in a SWAT model: the river Zenne basin (Belgium) case study

    Tolessa Leta, Olkeba; Nossent, Jiri; van Griensven, Ann; Bauwens, Willy

    2013-04-01

    The European Union Water Framework Directive (EU-WFD) called its member countries to achieve a good ecological status for all inland and coastal water bodies by 2015. According to recent studies, the river Zenne (Belgium) is far from this objective. Therefore, an interuniversity and multidisciplinary project "Towards a Good Ecological Status in the river Zenne (GESZ)" was launched to evaluate the effects of wastewater management plans on the river. In this project, different models have been developed and integrated using the Open Modelling Interface (OpenMI). The hydrologic, semi-distributed Soil and Water Assessment Tool (SWAT) is hereby used as one of the model components in the integrated modelling chain in order to model the upland catchment processes. The assessment of the uncertainty of SWAT is an essential aspect of the decision making process, in order to design robust management strategies that take the predicted uncertainties into account. Model uncertainty stems from the uncertainties on the model parameters, the input data (e.g, rainfall), the calibration data (e.g., stream flows) and on the model structure itself. The objective of this paper is to assess the first three sources of uncertainty in a SWAT model of the river Zenne basin. For the assessment of rainfall measurement uncertainty, first, we identified independent rainfall periods, based on the daily precipitation and stream flow observations and using the Water Engineering Time Series PROcessing tool (WETSPRO). Secondly, we assigned a rainfall multiplier parameter for each of the independent rainfall periods, which serves as a multiplicative input error corruption. Finally, we treated these multipliers as latent parameters in the model optimization and uncertainty analysis (UA). For parameter uncertainty assessment, due to the high number of parameters of the SWAT model, first, we screened out its most sensitive parameters using the Latin Hypercube One-factor-At-a-Time (LH-OAT) technique

  20. A durability model incorporating safe life methodology and damage tolerance approach to assess first inspection and maintenance period for structures

    Xiong, J.J.; Shenoi, R.A.

    2009-01-01

    This paper outlines a new durability model to assess the first inspection and maintenance period for structures. Practical scatter factor formulae are presented to determine the safe fatigue crack initiation and propagation lives from the results of a single full-scale test of a complete structure. New theoretical solutions are proposed to determine the s a -s m -N surfaces of fatigue crack initiation and propagation. Prediction techniques are then developed to establish the relationship equation between safe fatigue crack initiation and propagation lives with a specific reliability level using a two-stage fatigue damage cumulative rule. A new durability model incorporating safe life and damage tolerance design approaches is derived to assess the first inspection and maintenance period. Finally, the proposed models are applied to assess the first inspection and maintenance period of a fastening structure at the root of helicopter blade.

  1. A durability model incorporating safe life methodology and damage tolerance approach to assess first inspection and maintenance period for structures

    Xiong, J.J. [Aircraft Department, Beihang University, Beijing 100083 (China); Shenoi, R.A. [School of Engineering Sciences, University of Southampton, Southampton SO17 1BJ (United Kingdom)], E-mail: r.a.shenoi@ship.soton.ac.uk

    2009-08-15

    This paper outlines a new durability model to assess the first inspection and maintenance period for structures. Practical scatter factor formulae are presented to determine the safe fatigue crack initiation and propagation lives from the results of a single full-scale test of a complete structure. New theoretical solutions are proposed to determine the s{sub a}-s{sub m}-N surfaces of fatigue crack initiation and propagation. Prediction techniques are then developed to establish the relationship equation between safe fatigue crack initiation and propagation lives with a specific reliability level using a two-stage fatigue damage cumulative rule. A new durability model incorporating safe life and damage tolerance design approaches is derived to assess the first inspection and maintenance period. Finally, the proposed models are applied to assess the first inspection and maintenance period of a fastening structure at the root of helicopter blade.

  2. Computer calculation of neutron cross sections with Hauser-Feshbach code STAPRE incorporating the hybrid pre-compound emission model

    Ivascu, M.

    1983-10-01

    Computer codes incorporating advanced nuclear models (optical, statistical and pre-equilibrium decay nuclear reaction models) were used to calculate neutron cross sections needed for fusion reactor technology. The elastic and inelastic scattering (n,2n), (n,p), (n,n'p), (n,d) and (n,γ) cross sections for stable molybdenum isotopes Mosup(92,94,95,96,97,98,100) and incident neutron energy from about 100 keV or a threshold to 20 MeV were calculated using the consistent set of input parameters. The hydrogen production cross section which determined the radiation damage in structural materials of fusion reactors can be simply deduced from the presented results. The more elaborated microscopic models of nuclear level density are required for high accuracy calculations

  3. A model for determination of human foetus irradiation during intrauterine development when the mother incorporates iodine 131

    Vasilev, V.; Doncheva, B.

    1989-01-01

    A model is presented for irradiation calculation of human foetus during weeks 8-15 of the intrauterine development, when the mother chronically incorporates iodine 131. This period is critical for the nervous system of the foetus. Compared to some other author's models, the method proposed eliminates some uncertainties and takes into account the changes in the activity of mother's thyroid in time. The model is built on the base of data from 131 I-kinetics of pregnant women and experimental mice. A formula is proposed for total foetus irradiation calculation including: the internal γ and β irradiation; the external γ and β irradiation from the mother as a whole; and the external γ irradiation from the mother's thyroid

  4. Preparation of Tween 80-Zn/Al-Levodopa-Layered Double Hydroxides Nanocomposite for Drug Delivery System

    Aminu Umar Kura

    2014-01-01

    Full Text Available We incorporated anti-Parkinsonian drug, levodopa (dopa, in Zn/Al-LDH by coprecipitation method to form dopa-LDH nanocomposite. Further coating of Tween-80 on the external surfaces of dopa-LDH nanocomposite was achieved through the oxygen of C=O group of Tween-80 with the layer of dopa-LDH nanocomposite. The final product is called Tween-dopa-LDH nanocomposite. The X-ray diffraction indicates that the Tween-dopa-LDH nanocomposite was formed by aggregation structure. From the TGA data, the Tween-80 loading on the surface of LDH and dopa-LDH was 8.6 and 7.4%, respectively. The effect of coating process on the dopa release from Tween-dopa-LDH nanocomposite was also studied. The release from Tween-dopa-LDH nanocomposite shows slower release compared to the release of the drug from dopa-LDH nanocomposite as done previously in our study, presumably due to the retarding shielding effect. The cell viability study using PC12 showed improved viability with Tween-80 coating on dopa-LDH nanocomposite as studied by mitochondrial dehydrogenase activity (MTT assay.

  5. The Isinglass Auroral Sounding Rocket Campaign: data synthesis incorporating remote sensing, in situ observations, and modelling

    Lynch, K. A.; Clayton, R.; Roberts, T. M.; Hampton, D. L.; Conde, M.; Zettergren, M. D.; Burleigh, M.; Samara, M.; Michell, R.; Grubbs, G. A., II; Lessard, M.; Hysell, D. L.; Varney, R. H.; Reimer, A.

    2017-12-01

    The NASA auroral sounding rocket mission Isinglass was launched from Poker Flat Alaska in winter 2017. This mission consists of two separate multi-payload sounding rockets, over an array of groundbased observations, including radars and filtered cameras. The science goal is to collect two case studies, in two different auroral events, of the gradient scale sizes of auroral disturbances in the ionosphere. Data from the in situ payloads and the groundbased observations will be synthesized and fed into an ionospheric model, and the results will be studied to learn about which scale sizes of ionospheric structuring have significance for magnetosphere-ionosphere auroral coupling. The in situ instrumentation includes thermal ion sensors (at 5 points on the second flight), thermal electron sensors (at 2 points), DC magnetic fields (2 point), DC electric fields (one point, plus the 4 low-resource thermal ion RPA observations of drift on the second flight), and an auroral precipitation sensor (one point). The groundbased array includes filtered auroral imagers, the PFISR and SuperDarn radars, a coherent scatter radar, and a Fabry-Perot interferometer array. The ionospheric model to be used is a 3d electrostatic model including the effects of ionospheric chemistry. One observational and modelling goal for the mission is to move both observations and models of auroral arc systems into the third (along-arc) dimension. Modern assimilative tools combined with multipoint but low-resource observations allow a new view of the auroral ionosphere, that should allow us to learn more about the auroral zone as a coupled system. Conjugate case studies such as the Isinglass rocket flights allow for a test of the models' intepretation by comparing to in situ data. We aim to develop and improve ionospheric models to the point where they can be used to interpret remote sensing data with confidence without the checkpoint of in situ comparison.

  6. Progress of Nanocomposite Membranes for Water Treatment

    Claudia Ursino

    2018-04-01

    Full Text Available The use of membrane-based technologies has been applied for water treatment applications; however, the limitations of conventional polymeric membranes have led to the addition of inorganic fillers to enhance their performance. In recent years, nanocomposite membranes have greatly attracted the attention of scientists for water treatment applications such as wastewater treatment, water purification, removal of microorganisms, chemical compounds, heavy metals, etc. The incorporation of different nanofillers, such as carbon nanotubes, zinc oxide, graphene oxide, silver and copper nanoparticles, titanium dioxide, 2D materials, and some other novel nano-scale materials into polymeric membranes have provided great advances, e.g., enhancing on hydrophilicity, suppressing the accumulation of pollutants and foulants, enhancing rejection efficiencies and improving mechanical properties and thermal stabilities. Thereby, the aim of this work is to provide up-to-date information related to those novel nanocomposite membranes and their contribution for water treatment applications.

  7. Metal-polymer nanocomposites for functional applications

    Faupel, Franz; Zaporojtchenko, Vladimir; Strunskus, Thomas [Christian-Albrechts-Universitaet zu Kiel (Germany). Institut fuer Materialwissenschaft - Materialverbunde; Elbahri, Mady [Christian-Albrechts-Universitaet zu Kiel (Germany). Institut fuer Materialwissenschaft - Nanochemistry and Engineering

    2010-12-15

    Nanocomposites combine favorable features of the constituents on the nanoscale to obtain new functionalities. The present paper is concerned with the preparation of polymer-based nanocomposites consisting of metal nanoparticles in a polymer matrix and the resulting functional properties. Emphasis is placed on vapor phase deposition which inter alia allows the incorporation of alloy clusters with well defined composition and tailored filling factor profiles. Examples discussed here include optical composites with tuned particle surface plasmon resonances for plasmonic applications, magnetic high frequency materials with cut-off frequencies well above 1 GHz, sensors that are based on the dramatic change in the electronic properties near the percolation threshold, and antibacterial coatings which benefit from the large effective surface of nanoparticles and the increased chemical potential which both strongly enhance ion release. (Copyright copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  8. Progress of Nanocomposite Membranes for Water Treatment.

    Ursino, Claudia; Castro-Muñoz, Roberto; Drioli, Enrico; Gzara, Lassaad; Albeirutty, Mohammad H; Figoli, Alberto

    2018-04-03

    The use of membrane-based technologies has been applied for water treatment applications; however, the limitations of conventional polymeric membranes have led to the addition of inorganic fillers to enhance their performance. In recent years, nanocomposite membranes have greatly attracted the attention of scientists for water treatment applications such as wastewater treatment, water purification, removal of microorganisms, chemical compounds, heavy metals, etc. The incorporation of different nanofillers, such as carbon nanotubes, zinc oxide, graphene oxide, silver and copper nanoparticles, titanium dioxide, 2D materials, and some other novel nano-scale materials into polymeric membranes have provided great advances, e.g., enhancing on hydrophilicity, suppressing the accumulation of pollutants and foulants, enhancing rejection efficiencies and improving mechanical properties and thermal stabilities. Thereby, the aim of this work is to provide up-to-date information related to those novel nanocomposite membranes and their contribution for water treatment applications.

  9. Potential of Starch Nanocomposites for Biomedical Applications

    Zakaria, N. H.; Muhammad, N.; Abdullah, M. M. A. B.

    2017-06-01

    In recent years, the development of biodegradable materials from renewable sources based on polymeric biomaterials have grown rapidly due to increase environmental concerns and the shortage of petroleum sources. In this regard, naturally renewable polymers such as starch has shown great potential as environmental friendly materials. Besides, the unique properties of starch such as biodegradable and non-toxic, biocompatible and solubility make them useful for a various biomedical applications. Regardless of their unique properties, starch materials are known to have limitations in term of poor processability, low mechanical properties, poor long term stability and high water sensitivity. In order to overcome these limitations, the incorporation of nano size fillers into starch materials (nanocomposites) has been introduced. This review aims to give an overview about structure and characteristics of starch, modification of starch by nanocomposites and their potential for biomedical applications.

  10. Incorporating harvest rates into the sex-age-kill model for white-tailed deer

    Norton, Andrew S.; Diefenbach, Duane R.; Rosenberry, Christopher S.; Wallingford, Bret D.

    2013-01-01

    Although monitoring population trends is an essential component of game species management, wildlife managers rarely have complete counts of abundance. Often, they rely on population models to monitor population trends. As imperfect representations of real-world populations, models must be rigorously evaluated to be applied appropriately. Previous research has evaluated population models for white-tailed deer (Odocoileus virginianus); however, the precision and reliability of these models when tested against empirical measures of variability and bias largely is untested. We were able to statistically evaluate the Pennsylvania sex-age-kill (PASAK) population model using realistic error measured using data from 1,131 radiocollared white-tailed deer in Pennsylvania from 2002 to 2008. We used these data and harvest data (number killed, age-sex structure, etc.) to estimate precision of abundance estimates, identify the most efficient harvest data collection with respect to precision of parameter estimates, and evaluate PASAK model robustness to violation of assumptions. Median coefficient of variation (CV) estimates by Wildlife Management Unit, 13.2% in the most recent year, were slightly above benchmarks recommended for managing game species populations. Doubling reporting rates by hunters or doubling the number of deer checked by personnel in the field reduced median CVs to recommended levels. The PASAK model was robust to errors in estimates for adult male harvest rates but was sensitive to errors in subadult male harvest rates, especially in populations with lower harvest rates. In particular, an error in subadult (1.5-yr-old) male harvest rates resulted in the opposite error in subadult male, adult female, and juvenile population estimates. Also, evidence of a greater harvest probability for subadult female deer when compared with adult (≥2.5-yr-old) female deer resulted in a 9.5% underestimate of the population using the PASAK model. Because obtaining

  11. Incorporation of lysosomal sequestration in the mechanistic model for prediction of tissue distribution of basic drugs.

    Assmus, Frauke; Houston, J Brian; Galetin, Aleksandra

    2017-11-15

    The prediction of tissue-to-plasma water partition coefficients (Kpu) from in vitro and in silico data using the tissue-composition based model (Rodgers & Rowland, J Pharm Sci. 2005, 94(6):1237-48.) is well established. However, distribution of basic drugs, in particular into lysosome-rich lung tissue, tends to be under-predicted by this approach. The aim of this study was to develop an extended mechanistic model for the prediction of Kpu which accounts for lysosomal sequestration and the contribution of different cell types in the tissue of interest. The extended model is based on compound-specific physicochemical properties and tissue composition data to describe drug ionization, distribution into tissue water and drug binding to neutral lipids, neutral phospholipids and acidic phospholipids in tissues, including lysosomes. Physiological data on the types of cells contributing to lung, kidney and liver, their lysosomal content and lysosomal pH were collated from the literature. The predictive power of the extended mechanistic model was evaluated using a dataset of 28 basic drugs (pK a ≥7.8, 17 β-blockers, 11 structurally diverse drugs) for which experimentally determined Kpu data in rat tissue have been reported. Accounting for the lysosomal sequestration in the extended mechanistic model improved the accuracy of Kpu predictions in lung compared to the original Rodgers model (56% drugs within 2-fold or 88% within 3-fold of observed values). Reduction in the extent of Kpu under-prediction was also evident in liver and kidney. However, consideration of lysosomal sequestration increased the occurrence of over-predictions, yielding overall comparable model performances for kidney and liver, with 68% and 54% of Kpu values within 2-fold error, respectively. High lysosomal concentration ratios relative to cytosol (>1000-fold) were predicted for the drugs investigated; the extent differed depending on the lysosomal pH and concentration of acidic phospholipids among

  12. PEO nanocomposite polymer electrolyte for solid state symmetric

    Physical and electrochemical properties of polyethylene oxide (PEO)-based nanocomposite solid polymer electrolytes (NPEs) were investigated for symmetric capacitor applications. Nanosize fillers, i.e., Al2O3 and SiO2 incorporated polymer electrolyte exhibited higher ionic conductivity than those with filler-free composites ...

  13. Polypropylene/organoclay/SEBS nanocomposites with toughness-stiffness properties

    Sanporean (nee Potarniche), Catalina-Gabriela; Vuluga, Zina; Radovici, Constantin

    2014-01-01

    Polypropylene nanocomposites with a different amount of styrene-ethylene-butylene-styrene block copolymer (SEBS)/clay were prepared via a melt mixing technique. To improve the dispersion of commercial organoclay (denoted as OMMT), various amounts of SEBS were incorporated. At a fixed content of O...

  14. A kinematic wave model in Lagrangian coordinates incorporating capacity drop: Application to homogeneous road stretches and discontinuities

    Yuan, Kai; Knoop, Victor L.; Hoogendoorn, Serge P.

    2017-01-01

    On freeways, congestion always leads to capacity drop. This means the queue discharge rate is lower than the pre-queue capacity. Our recent research findings indicate that the queue discharge rate increases with the speed in congestion, that is the capacity drop is strongly correlated with the congestion state. Incorporating this varying capacity drop into a kinematic wave model is essential for assessing consequences of control strategies. However, to the best of authors' knowledge, no such a model exists. This paper fills the research gap by presenting a Lagrangian kinematic wave model. "Lagrangian" denotes that the new model is solved in Lagrangian coordinates. The new model can give capacity drops accompanying both of stop-and-go waves (on homogeneous freeway section) and standing queues (at nodes) in a network. The new model can be applied in a network operation. In this Lagrangian kinematic wave model, the queue discharge rate (or the capacity drop) is a function of vehicular speed in traffic jams. Four case studies on links as well as at lane-drop and on-ramp nodes show that the Lagrangian kinematic wave model can give capacity drops well, consistent with empirical observations.

  15. Ultrasonically assisted drilling: A finite-element model incorporating acoustic softening effects

    Phadnis, V A; Roy, A; Silberschmidt, V V

    2013-01-01

    Ultrasonically assisted drilling (UAD) is a novel machining technique suitable for drilling in hard-to-machine quasi-brittle materials such as carbon fibre reinforced polymer composites (CFRP). UAD has been shown to possess several advantages compared to conventional drilling (CD), including reduced thrust forces, diminished burr formation at drill exit and an overall improvement in roundness and surface finish of the drilled hole. Recently, our in-house experiments of UAD in CFRP composites demonstrated remarkable reductions in thrust-force and torque measurements (average force reductions in excess of 80%) when compared to CD with the same machining parameters. In this study, a 3D finite-element model of drilling in CFRP is developed. In order to model acoustic (ultrasonic) softening effects, a phenomenological model, which accounts for ultrasonically induced plastic strain, was implemented in ABAQUS/Explicit. The model also accounts for dynamic frictional effects, which also contribute to the overall improved machining characteristics in UAD. The model is validated with experimental findings, where an excellent correlation between the reduced thrust force and torque magnitude was achieved

  16. High-resolution Continental Scale Land Surface Model incorporating Land-water Management in United States

    Shin, S.; Pokhrel, Y. N.

    2016-12-01

    Land surface models have been used to assess water resources sustainability under changing Earth environment and increasing human water needs. Overwhelming observational records indicate that human activities have ubiquitous and pertinent effects on the hydrologic cycle; however, they have been crudely represented in large scale land surface models. In this study, we enhance an integrated continental-scale land hydrology model named Leaf-Hydro-Flood to better represent land-water management. The model is implemented at high resolution (5km grids) over the continental US. Surface water and groundwater are withdrawn based on actual practices. Newly added irrigation, water diversion, and dam operation schemes allow better simulations of stream flows, evapotranspiration, and infiltration. Results of various hydrologic fluxes and stores from two sets of simulation (one with and the other without human activities) are compared over a range of river basin and aquifer scales. The improved simulations of land hydrology have potential to build consistent modeling framework for human-water-climate interactions.

  17. New systematic methodology for incorporating dynamic heat transfer modelling in multi-phase biochemical reactors.

    Fernández-Arévalo, T; Lizarralde, I; Grau, P; Ayesa, E

    2014-09-01

    This paper presents a new modelling methodology for dynamically predicting the heat produced or consumed in the transformations of any biological reactor using Hess's law. Starting from a complete description of model components stoichiometry and formation enthalpies, the proposed modelling methodology has integrated successfully the simultaneous calculation of both the conventional mass balances and the enthalpy change of reaction in an expandable multi-phase matrix structure, which facilitates a detailed prediction of the main heat fluxes in the biochemical reactors. The methodology has been implemented in a plant-wide modelling methodology in order to facilitate the dynamic description of mass and heat throughout the plant. After validation with literature data, as illustrative examples of the capability of the methodology, two case studies have been described. In the first one, a predenitrification-nitrification dynamic process has been analysed, with the aim of demonstrating the easy integration of the methodology in any system. In the second case study, the simulation of a thermal model for an ATAD has shown the potential of the proposed methodology for analysing the effect of ventilation and influent characterization. Copyright © 2014 Elsevier Ltd. All rights reserved.

  18. Development of a prototype mesoscale computer model incorporating treatment of topography

    Apsimon, H.; Kitson, K.; Fawcett, M.; Goddard, A.J.H.

    1984-01-01

    Models are available for simulating dispersal of accidental releases, using mass-consistent wind-fields and accounting for site-specific topography. These techniques were examined critically to see if they might be improved, and to assess their limitations. An improved model, windfield adjusted for topography (WAFT), was developed (with advantages over MATHEW used in the Atmospheric Release Advisory Capability - ARAC system). To simulate dispersion in the windfields produced by WAFT and calculate time integrated air concentrations and dry and wet deposition the TOMCATS model was developed. It treats the release as an assembly of pseudo-particles using Monte Carlo techniques to simulate turbulent displacements. It allows for larger eddy effects in the horizontal turbulence spectrum. Wet deposition is calculated using inhomogeneous rainfields evolving in time and space. The models were assessed, applying them to hypothetical releases in complex terrain, using typical data applicable in accident conditions, and undertaking sensitivity studies. One finds considerable uncertainty in results produced by these models. Although useful for post-facto analysis, such limitations cast doubt on their advantages, relative to simpler techniques, during an actual emergency

  19. Incorporating microbial dormancy dynamics into soil decomposition models to improve quantification of soil carbon dynamics of northern temperate forests

    He, Yujie [Purdue Univ., West Lafayette, IN (United States). Dept. of Earth, Atmospheric, and Planetary Sciences; Yang, Jinyan [Univ. of Georgia, Athens, GA (United States). Warnell School of Forestry and Natural Resources; Northeast Forestry Univ., Harbin (China). Center for Ecological Research; Zhuang, Qianlai [Purdue Univ., West Lafayette, IN (United States). Dept. of Earth, Atmospheric, and Planetary Sciences; Purdue Univ., West Lafayette, IN (United States). Dept. of Agronomy; Harden, Jennifer W. [U.S. Geological Survey, Menlo Park, CA (United States); McGuire, Anthony D. [Alaska Cooperative Fish and Wildlife Research Unit, U.S. Geological Survey, Univ. of Alaska, Fairbanks, AK (United States). U.S. Geological Survey, Alaska Cooperative Fish and Wildlife Research Unit; Liu, Yaling [Purdue Univ., West Lafayette, IN (United States). Dept. of Earth, Atmospheric, and Planetary Sciences; Wang, Gangsheng [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Climate Change Science Inst. and Environmental Sciences Division; Gu, Lianhong [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Environmental Sciences Division

    2015-11-20

    Soil carbon dynamics of terrestrial ecosystems play a significant role in the global carbon cycle. Microbial-based decomposition models have seen much growth recently for quantifying this role, yet dormancy as a common strategy used by microorganisms has not usually been represented and tested in these models against field observations. Here in this study we developed an explicit microbial-enzyme decomposition model and examined model performance with and without representation of microbial dormancy at six temperate forest sites of different forest types. We then extrapolated the model to global temperate forest ecosystems to investigate biogeochemical controls on soil heterotrophic respiration and microbial dormancy dynamics at different temporal-spatial scales. The dormancy model consistently produced better match with field-observed heterotrophic soil CO2 efflux (RH) than the no dormancy model. Our regional modeling results further indicated that models with dormancy were able to produce more realistic magnitude of microbial biomass (<2% of soil organic carbon) and soil RH (7.5 ± 2.4 PgCyr-1). Spatial correlation analysis showed that soil organic carbon content was the dominating factor (correlation coefficient = 0.4-0.6) in the simulated spatial pattern of soil RH with both models. In contrast to strong temporal and local controls of soil temperature and moisture on microbial dormancy, our modeling results showed that soil carbon-to-nitrogen ratio (C:N) was a major regulating factor at regional scales (correlation coefficient = -0.43 to -0.58), indicating scale-dependent biogeochemical controls on microbial dynamics. Our findings suggest that incorporating microbial dormancy could improve the realism of microbial-based decomposition models and enhance the integration of soil experiments and mechanistically based modeling.

  20. Incorporating microbial dormancy dynamics into soil decomposition models to improve quantification of soil carbon dynamics of northern temperate forests

    He, Yujie; Yang, Jinyan; Zhuang, Qianlai; Harden, Jennifer W.; McGuire, A. David; Liu, Yaling; Wang, Gangsheng; Gu, Lianhong

    2015-01-01

    Soil carbon dynamics of terrestrial ecosystems play a significant role in the global carbon cycle. Microbial-based decomposition models have seen much growth recently for quantifying this role, yet dormancy as a common strategy used by microorganisms has not usually been represented and tested in these models against field observations. Here we developed an explicit microbial-enzyme decomposition model and examined model performance with and without representation of microbial dormancy at six temperate forest sites of different forest types. We then extrapolated the model to global temperate forest ecosystems to investigate biogeochemical controls on soil heterotrophic respiration and microbial dormancy dynamics at different temporal-spatial scales. The dormancy model consistently produced better match with field-observed heterotrophic soil CO2 efflux (RH) than the no dormancy model. Our regional modeling results further indicated that models with dormancy were able to produce more realistic magnitude of microbial biomass (analysis showed that soil organic carbon content was the dominating factor (correlation coefficient = 0.4–0.6) in the simulated spatial pattern of soil RHwith both models. In contrast to strong temporal and local controls of soil temperature and moisture on microbial dormancy, our modeling results showed that soil carbon-to-nitrogen ratio (C:N) was a major regulating factor at regional scales (correlation coefficient = −0.43 to −0.58), indicating scale-dependent biogeochemical controls on microbial dynamics. Our findings suggest that incorporating microbial dormancy could improve the realism of microbial-based decomposition models and enhance the integration of soil experiments and mechanistically based modeling.

  1. Periglacial processes incorporated into a long-term landscape evolution model

    Andersen, Jane Lund; Egholm, D.L.; Knudsen, Mads Faurschou

    Little is known about the long-term influence of periglacial processes on landscape evolution in cold areas, even though the efficiency of frost cracking on the breakdown of rocks has been documented by observations and experiments. Cold-room laboratory experiments show that a continuous water...... supply and sustained sub- zero temperatures are essential to develop fractures in porous rocks (e.g. Murton, 2006), but the cracking efficiency for harder rock types under natural conditions is less clear. However, based on experimental results for porous rocks, Hales and Roering (2007) proposed a model...... by their model and the elevation of scree deposits in the Southern Alps, New Zealand. This result suggests a link between frost-cracking efficiency and long-term landscape evolution and thus merits further investigations. Anderson et al. (2012) expanded this early model by including the effects of latent heat...

  2. Modeling & Informatics at Vertex Pharmaceuticals Incorporated: our philosophy for sustained impact.

    McGaughey, Georgia; Patrick Walters, W

    2017-03-01

    Molecular modelers and informaticians have the unique opportunity to integrate cross-functional data using a myriad of tools, methods and visuals to generate information. Using their drug discovery expertise, information is transformed to knowledge that impacts drug discovery. These insights are often times formulated locally and then applied more broadly, which influence the discovery of new medicines. This is particularly true in an organization where the members are exposed to projects throughout an organization, such as in the case of the global Modeling & Informatics group at Vertex Pharmaceuticals. From its inception, Vertex has been a leader in the development and use of computational methods for drug discovery. In this paper, we describe the Modeling & Informatics group at Vertex and the underlying philosophy, which has driven this team to sustain impact on the discovery of first-in-class transformative medicines.

  3. ISG hybrid powertrain: a rule-based driver model incorporating look-ahead information

    Shen, Shuiwen; Zhang, Junzhi; Chen, Xiaojiang; Zhong, Qing-Chang; Thornton, Roger

    2010-03-01

    According to European regulations, if the amount of regenerative braking is determined by the travel of the brake pedal, more stringent standards must be applied, otherwise it may adversely affect the existing vehicle safety system. The use of engine or vehicle speed to derive regenerative braking is one way to avoid strict design standards, but this introduces discontinuity in powertrain torque when the driver releases the acceleration pedal or applies the brake pedal. This is shown to cause oscillations in the pedal input and powertrain torque when a conventional driver model is adopted. Look-ahead information, together with other predicted vehicle states, are adopted to control the vehicle speed, in particular, during deceleration, and to improve the driver model so that oscillations can be avoided. The improved driver model makes analysis and validation of the control strategy for an integrated starter generator (ISG) hybrid powertrain possible.

  4. The design of a wind tunnel VSTOL fighter model incorporating turbine powered engine simulators

    Bailey, R. O.; Maraz, M. R.; Hiley, P. E.

    1981-01-01

    A wind-tunnel model of a supersonic VSTOL fighter aircraft configuration has been developed for use in the evaluation of airframe-propulsion system aerodynamic interactions. The model may be employed with conventional test techniques, where configuration aerodynamics are measured in a flow-through mode and incremental nozzle-airframe interactions are measured in a jet-effects mode, and with the Compact Multimission Aircraft Propulsion Simulator which is capable of the simultaneous simulation of inlet and exhaust nozzle flow fields so as to allow the evaluation of the extent of inlet and nozzle flow field coupling. The basic configuration of the twin-engine model has a geometrically close-coupled canard and wing, and a moderately short nacelle with nonaxisymmetric vectorable exhaust nozzles near the wing trailing edge, and may be converted to a canardless configuration with an extremely short nacelle. Testing is planned to begin in the summer of 1982.

  5. Incorporating photon recycling into the analytical drift-diffusion model of high efficiency solar cells

    Lumb, Matthew P. [The George Washington University, 2121 I Street NW, Washington, DC 20037 (United States); Naval Research Laboratory, Washington, DC 20375 (United States); Steiner, Myles A.; Geisz, John F. [National Renewable Energy Laboratory, Golden, Colorado 80401 (United States); Walters, Robert J. [Naval Research Laboratory, Washington, DC 20375 (United States)

    2014-11-21

    The analytical drift-diffusion formalism is able to accurately simulate a wide range of solar cell architectures and was recently extended to include those with back surface reflectors. However, as solar cells approach the limits of material quality, photon recycling effects become increasingly important in predicting the behavior of these cells. In particular, the minority carrier diffusion length is significantly affected by the photon recycling, with consequences for the solar cell performance. In this paper, we outline an approach to account for photon recycling in the analytical Hovel model and compare analytical model predictions to GaAs-based experimental devices operating close to the fundamental efficiency limit.

  6. Preparation, structure and thermal stability of Cu/LDPE nanocomposites

    Xia Xianping; Cai Shuizhou; Xie Changsheng

    2006-01-01

    Copper/low-density-polyethylene (Cu/LDPE) nanocomposites have been prepared using a melt-blending technique in a single-screw extruder. Their structure and thermal characteristics are characterized by using X-ray diffraction (XRD), scanning electron microscopy (SEM), X-ray energy dispersive spectroscopy (EDS), differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). The results of XRD, SEM and SEM-EDS Cu-mapping show that the nanocomposites are a hybrid of the polymer and the copper nanoparticles, and the copper nanoparticles aggregates were distributed uniformly in general. The results also show that the nanocomposites and the base resin, the pure LDPE, have a different crystalline structure and the same oriented characteristics owing to the presence of copper nanoparticles and the same cooling condition. The results of DSC show that the incorporation of copper nanoparticles can decrease the melting temperatures but increase the crystallization temperatures, and can lower the crystallinity degree of the matrix of the composites. The results of TGA show that the presence of copper nanoparticles can improve the thermal stability of the nanocomposites, a maximum increment of 18 deg. C is obtained comparing with the pure LDPE in this experiment. The results of TGA also show that the influence of the incorporation of the copper nanoparticles on the thermal stability of the Cu/LDPE nanocomposites is different from that of the non-metal nanoparticles on the polymer/non-metal nanocomposites and the copper microparticles on the Cu/LDPE microcomposites. The increase of the thermal stability of the Cu/LDPE nanocomposites will decrease when the content of the copper nanoparticles is more than 2 wt.%. The difference might be caused by the fact that the activity of the metal nanoparticles is much more higher than that of the non-metal nanoparticles, and the different size effect the different copper particles has

  7. Experimental validation of a Monte Carlo proton therapy nozzle model incorporating magnetically steered protons

    Peterson, S W; Polf, J; Archambault, L; Beddar, S; Bues, M; Ciangaru, G; Smith, A

    2009-01-01

    The purpose of this study is to validate the accuracy of a Monte Carlo calculation model of a proton magnetic beam scanning delivery nozzle developed using the Geant4 toolkit. The Monte Carlo model was used to produce depth dose and lateral profiles, which were compared to data measured in the clinical scanning treatment nozzle at several energies. Comparisons were also made between measured and simulated off-axis profiles to test the accuracy of the model's magnetic steering. Comparison of the 80% distal dose fall-off values for the measured and simulated depth dose profiles agreed to within 1 mm for the beam energies evaluated. Agreement of the full width at half maximum values for the measured and simulated lateral fluence profiles was within 1.3 mm for all energies. The position of measured and simulated spot positions for the magnetically steered beams agreed to within 0.7 mm of each other. Based on these results, we found that the Geant4 Monte Carlo model of the beam scanning nozzle has the ability to accurately predict depth dose profiles, lateral profiles perpendicular to the beam axis and magnetic steering of a proton beam during beam scanning proton therapy.

  8. Incorporating implementation overheads in the analysis for the flexible spin-lock model

    Balasubramanian, S.M.N.; Afshar, S.; Gai, P.; Behnam, M.; Bril, R.J.

    2017-01-01

    The flexible spin-lock model (FSLM) unifies suspension-based and spin-based resource sharing protocols for partitioned fixed-priority preemptive scheduling based real-time multiprocessor platforms. Recent work has been done in defining the protocol for FSLM and providing a schedulability analysis

  9. Incorporating Parameter Uncertainty in Bayesian Segmentation Models: Application to Hippocampal Subfield Volumetry

    Iglesias, J. E.; Sabuncu, M. R.; Van Leemput, Koen

    2012-01-01

    Many successful segmentation algorithms are based on Bayesian models in which prior anatomical knowledge is combined with the available image information. However, these methods typically have many free parameters that are estimated to obtain point estimates only, whereas a faithful Bayesian anal...

  10. Incorporation of leaf nitrogen observations for biochemical and environmental modeling of photosynthesis and evapotranspiration

    Bøgh, E.; Gjettermann, Birgitte; Abrahamsen, Per

    2007-01-01

    . While most canopy photosynthesis models assume an exponential vertical profile of leaf N contents in the canopy, the field measurements showed that well-fertilized fields may have a uniform or exponential profile, and senescent canopies have reduced levels of N contents in upper leaves. The sensitivity...

  11. Improved Path Loss Simulation Incorporating Three-Dimensional Terrain Model Using Parallel Coprocessors

    Zhang Bin Loo

    2017-01-01

    Full Text Available Current network simulators abstract out wireless propagation models due to the high computation requirements for realistic modeling. As such, there is still a large gap between the results obtained from simulators and real world scenario. In this paper, we present a framework for improved path loss simulation built on top of an existing network simulation software, NS-3. Different from the conventional disk model, the proposed simulation also considers the diffraction loss computed using Epstein and Peterson’s model through the use of actual terrain elevation data to give an accurate estimate of path loss between a transmitter and a receiver. The drawback of high computation requirements is relaxed by offloading the computationally intensive components onto an inexpensive off-the-shelf parallel coprocessor, which is a NVIDIA GPU. Experiments are performed using actual terrain elevation data provided from United States Geological Survey. As compared to the conventional CPU architecture, the experimental result shows that a speedup of 20x to 42x is achieved by exploiting the parallel processing of GPU to compute the path loss between two nodes using terrain elevation data. The result shows that the path losses between two nodes are greatly affected by the terrain profile between these two nodes. Besides this, the result also suggests that the common strategy to place the transmitter in the highest position may not always work.

  12. A quantitative model of the cardiac ventricular cell incorporating the transverse-axial tubular system

    Pásek, Michal; Christé, G.; Šimurda, J.

    2003-01-01

    Roč. 22, č. 3 (2003), s. 355-368 ISSN 0231-5882 R&D Projects: GA ČR GP204/02/D129 Institutional research plan: CEZ:AV0Z2076919 Keywords : cardiac cell * tubular system * quantitative modelling Subject RIV: BO - Biophysics Impact factor: 0.794, year: 2003

  13. Development of a prototype mesoscale computer model incorporating treatment of topography

    Apsimon, H.M.; Goddard, A.J.H.; Kitson, K.; Fawcett, M.

    1985-01-01

    More sophisticated models are now available to simulate dispersal of accidental radioactive releases to the atmosphere; these use mass-consistent windfields and attempt allowance for site-specific topographical features. Our aim has been to examine these techniques critically, develop where possible, and assess limitations and accuracy. The resulting windfield model WAFT uses efficient numerical techniques with improved orographic resolution and treatment of meteorological conditions. Time integrated air concentrations, dry and wet deposition are derived from TOMCATS, which applies Monte-Carlo techniques to an assembly of pseudo-particles representing the release, with specific attention to the role of large eddies and evolving inhomogeneous rainfields. These models have been assessed by application to hypothetical releases in complex terrain using data which would have been available in the event of an accident, and undertaking sensitivity studies. It is concluded that there is considerable uncertainty in results produced by such models; although they may be useful in post-facto analysis, such limitations cast doubt on their advantages relative to simpler techniques, with more modest requirements, during an actual emergency. (author)

  14. Teaching for Art Criticism: Incorporating Feldman's Critical Analysis Learning Model in Students' Studio Practice

    Subramaniam, Maithreyi; Hanafi, Jaffri; Putih, Abu Talib

    2016-01-01

    This study adopted 30 first year graphic design students' artwork, with critical analysis using Feldman's model of art criticism. Data were analyzed quantitatively; descriptive statistical techniques were employed. The scores were viewed in the form of mean score and frequencies to determine students' performances in their critical ability.…

  15. Incorporating stakeholder perspectives into model-based scenarios : Exploring the futures of the Dutch gas sector

    Eker, S.; van Daalen, C.; Thissen, W.A.H.

    2017-01-01

    Several model-based, analytical approaches have been developed recently to deal with the deep uncertainty present in situations for which futures studies are conducted. These approaches focus on covering a wide variety of scenarios and searching for robust strategies. However, they generally do

  16. A Probabilistic Model of Visual Working Memory: Incorporating Higher Order Regularities into Working Memory Capacity Estimates

    Brady, Timothy F.; Tenenbaum, Joshua B.

    2013-01-01

    When remembering a real-world scene, people encode both detailed information about specific objects and higher order information like the overall gist of the scene. However, formal models of change detection, like those used to estimate visual working memory capacity, assume observers encode only a simple memory representation that includes no…

  17. Process model for ammonia volatilization from anaerobic swine lagoons incorporating varying wind speeds and biogas bubbling

    Ammonia volatilization from treatment lagoons varies widely with the total ammonia concentration, pH, temperature, suspended solids, atmospheric ammonia concentration above the water surface, and wind speed. Ammonia emissions were estimated with a process-based mechanistic model integrating ammonia ...

  18. Development of a mission-based funding model for undergraduate medical education: incorporation of quality.

    Stagnaro-Green, Alex; Roe, David; Soto-Greene, Maria; Joffe, Russell

    2008-01-01

    Increasing financial pressures, along with a desire to realign resources with institutional priorities, has resulted in the adoption of mission-based funding (MBF) at many medical schools. The lack of inclusion of quality and the time and expense in developing and implementing mission based funding are major deficiencies in the models reported to date. In academic year 2002-2003 New Jersey Medical School developed a model that included both quantity and quality in the education metric and that was departmentally based. Eighty percent of the undergraduate medical education allocation was based on the quantity of undergraduate medical education taught by the department ($7.35 million), and 20% ($1.89 million) was allocated based on the quality of the education delivered. Quality determinations were made by the educational leadership based on student evaluations and departmental compliance with educational administrative requirements. Evolution of the model has included the development of a faculty oversight committee and the integration of peer evaluation in the determination of educational quality. Six departments had a documented increase in quality over time, and one department had a transient decrease in quality. The MBF model has been well accepted by chairs, educational leaders, and faculty and has been instrumental in enhancing the stature of education at our institution.

  19. D1.4 -- Short Report on Models That Incorporate Non-stationary Time Variant Effects

    Lostanlen, Yves; Pedersen, Troels; Steinboeck, Gerhard

    -to-indoor environments are presented. Furthermore, the impact of human activity on the time variation of the radio channel is investigated and first simulation results are presented. Movement models, which include realistic interaction between nodes, are part of current research activities....

  20. Incorporating Solid Modeling and Team-Based Design into Freshman Engineering Graphics.

    Buchal, Ralph O.

    2001-01-01

    Describes the integration of these topics through a major team-based design and computer aided design (CAD) modeling project in freshman engineering graphics at the University of Western Ontario. Involves n=250 students working in teams of four to design and document an original Lego toy. Includes 12 references. (Author/YDS)

  1. Incorporating unreliability of transit in transport demand models: theoretical and practical approach

    van Oort, N.; Brands, Ties; de Romph, E.; Aceves Flores, J.

    2014-01-01

    Nowadays, transport demand models do not explicitly evaluate the impacts of service reliability of transit. Service reliability of transit systems is adversely experienced by users, as it causes additional travel time and unsecure arrival times. Because of this, travelers are likely to perceive a

  2. Incorporating Lightning Flash Data into the WRF-CMAQ Modeling System: Algorithms and Evaluations

    We describe the use of lightning flash data from the National Lightning Detection Network (NLDN) to constrain and improve the performance of coupled meteorology-chemistry models. We recently implemented a scheme in which lightning data is used to control the triggering of conve...

  3. Incorporating Logistics in Freight Transport Demand Models: State-of-the-Art and Research Opportunities

    Tavasszy, L.A.; Ruijgrok, K.; Davydenko, I.

    2012-01-01

    Freight transport demand is a demand derived from all the activities needed to move goods between locations of production to locations of consumption, including trade, logistics and transportation. A good representation of logistics in freight transport demand models allows us to predict the effects

  4. Incorporating prior information into differential network analysis using non-paranormal graphical models.

    Zhang, Xiao-Fei; Ou-Yang, Le; Yan, Hong

    2017-08-15

    Understanding how gene regulatory networks change under different cellular states is important for revealing insights into network dynamics. Gaussian graphical models, which assume that the data follow a joint normal distribution, have been used recently to infer differential networks. However, the distributions of the omics data are non-normal in general. Furthermore, although much biological knowledge (or prior information) has been accumulated, most existing methods ignore the valuable prior information. Therefore, new statistical methods are needed to relax the normality assumption and make full use of prior information. We propose a new differential network analysis method to address the above challenges. Instead of using Gaussian graphical models, we employ a non-paranormal graphical model that can relax the normality assumption. We develop a principled model to take into account the following prior information: (i) a differential edge less likely exists between two genes that do not participate together in the same pathway; (ii) changes in the networks are driven by certain regulator genes that are perturbed across different cellular states and (iii) the differential networks estimated from multi-view gene expression data likely share common structures. Simulation studies demonstrate that our method outperforms other graphical model-based algorithms. We apply our method to identify the differential networks between platinum-sensitive and platinum-resistant ovarian tumors, and the differential networks between the proneural and mesenchymal subtypes of glioblastoma. Hub nodes in the estimated differential networks rediscover known cancer-related regulator genes and contain interesting predictions. The source code is at https://github.com/Zhangxf-ccnu/pDNA. szuouyl@gmail.com. Supplementary data are available at Bioinformatics online. © The Author (2017). Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com

  5. Decision model incorporating utility theory and measurement of social values applied to nuclear waste management

    Litchfield, J.W.; Hansen, J.V.; Beck, L.C.

    1975-07-01

    A generalized computer-based decision analysis model was developed and tested. Several alternative concepts for ultimate disposal have already been developed; however, significant research is still required before any of these can be implemented. To make a choice based on technical estimates of the costs, short-term safety, long-term safety, and accident detection and recovery requires estimating the relative importance of each of these factors or attributes. These relative importance estimates primarily involve social values and therefore vary from one individual to the next. The approach used was to sample various public groups to determine the relative importance of each of the factors to the public. These estimates of importance weights were combined in a decision analysis model with estimates, furnished by technical experts, of the degree to which each alternative concept achieves each of the criteria. This model then integrates the two separate and unique sources of information and provides the decision maker with information as to the preferences and concerns of the public as well as the technical areas within each concept which need further research. The model can rank the alternatives using sampled public opinion and techno-economic data. This model provides a decision maker with a structured approach to subdividing complex alternatives into a set of more easily considered attributes, measuring the technical performance of each alternative relative to each attribute, estimating relevant social values, and assimilating quantitative information in a rational manner to estimate total value for each alternative. Because of the explicit nature of this decision analysis, the decision maker can select a specific alternative supported by clear documentation and justification for his assumptions and estimates. (U.S.)

  6. Incorporating Ecosystem Processes Controlling Carbon Balance Into Models of Coupled Human-Natural Systems

    Currie, W.; Brown, D. G.; Brunner, A.; Fouladbash, L.; Hadzick, Z.; Hutchins, M.; Kiger, S. E.; Makino, Y.; Nassauer, J. I.; Robinson, D. T.; Riolo, R. L.; Sun, S.

    2012-12-01

    A key element in the study of coupled human-natural systems is the interactions of human populations with vegetation and soils. In human-dominated landscapes, vegetation production and change results from a combination of ecological processes and human decision-making and behavior. Vegetation is often dramatically altered, whether to produce food for humans and livestock, to harvest fiber for construction and other materials, to harvest fuel wood or feedstock for biofuels, or simply for cultural preferences as in the case of residential lawns with sparse trees in the exurban landscape. This alteration of vegetation and its management has a substantial impact on the landscape carbon balance. Models can be used to simulate scenarios in human-natural systems and to examine the integration of processes that determine future trajectories of carbon balance. However, most models of human-natural systems include little integration of the human alteration of vegetation with the ecosystem processes that regulate carbon balance. Here we illustrate a few case studies of pilot-study models that strive for this integration from our research across various types of landscapes. We focus greater detail on a fully developed research model linked to a field study of vegetation and soils in the exurban residential landscape of Southeastern Michigan, USA. The field study characterized vegetation and soil carbon storage in 5 types of ecological zones. Field-observed carbon storage in the vegetation in these zones ranged widely, from 150 g C/m2 in turfgrass zones, to 6,000 g C/m2 in zones defined as turfgrass with sparse woody vegetation, to 16,000 g C/m2 in a zone defined as dense trees and shrubs. Use of these zones facilitated the scaling of carbon pools to the landscape, where the areal mixtures of zone types had a significant impact on landscape C storage. Use of these zones also facilitated the use of the ecosystem process model Biome-BGC to simulate C trajectories and also

  7. Representation and Incorporation of Close Others' Responses: The RICOR Model of Social Influence.

    Smith, Eliot R; Mackie, Diane M

    2015-08-03

    We propose a new model of social influence, which can occur spontaneously and in the absence of typically assumed motives. We assume that perceivers routinely construct representations of other people's experiences and responses (beliefs, attitudes, emotions, and behaviors), when observing others' responses or simulating the responses of unobserved others. Like representations made accessible by priming, these representations may then influence the process that generates perceivers' own responses, without intention or awareness, especially when there is a strong social connection to the other. We describe evidence for the basic properties and important moderators of this process, which distinguish it from other mechanisms such as informational, normative, or social identity influence. The model offers new perspectives on the role of others' values in producing cultural differences, the persistence and power of stereotypes, the adaptive reasons for being influenced by others' responses, and the impact of others' views about the self. © 2015 by the Society for Personality and Social Psychology, Inc.

  8. Incorporating imperfect detection into joint models of communites: A response to Warton et al.

    Beissinger, Steven R.; Iknayan, Kelly J.; Guillera-Arroita, Gurutzeta; Zipkin, Elise; Dorazio, Robert; Royle, Andy; Kery, Marc

    2016-01-01

    Warton et al. [1] advance community ecology by describing a statistical framework that can jointly model abundances (or distributions) across many taxa to quantify how community properties respond to environmental variables. This framework specifies the effects of both measured and unmeasured (latent) variables on the abundance (or occurrence) of each species. Latent variables are random effects that capture the effects of both missing environmental predictors and correlations in parameter values among different species. As presented in Warton et al., however, the joint modeling framework fails to account for the common problem of detection or measurement errors that always accompany field sampling of abundance or occupancy, and are well known to obscure species- and community-level inferences.

  9. Incorporating Floating Surface Objects into a Fully Dispersive Surface Wave Model

    2016-04-19

    Bateman c , Joseph Calantoni c , James T. Kirby b a NRL Code 7320, 1009 Balch Blvd, Stennis Space Center, MS 39529 USA b Center for Applied Coastal...wave prop- agation. J. Waterway Port Coast. Ocean Eng. 119, 618–638 . rzech, M., Shi, F., Calantoni, J., Bateman , S., Veeramony, J., 2014. Small-scale...F., Bateman , S., Calantoni, J., 2016. Modeling small- scale physics of waves and ice in the MIZ. AGU 2016 Ocean Sciences Meeting, Session 9483

  10. Teaching For Art Criticism: Incorporating Feldman’s Critical Analysis Learning Model In Students’ Studio Practice

    Maithreyi Subramaniam; Jaffri Hanafi; Abu Talib Putih

    2016-01-01

    This study adopted 30 first year graphic design students’ artwork, with critical analysis using Feldman’s model of art criticism. Data were analyzed quantitatively; descriptive statistical techniques were employed. The scores were viewed in the form of mean score and frequencies to determine students’ performances in their critical ability. Pearson Correlation Coefficient was used to find out the correlation between students’ studio practice and art critical ability scores. The...

  11. Incorporating social anxiety into a model of college student problematic drinking

    Ham, Lindsay S.; Hope, Debra A.

    2005-01-01

    College problem drinking and social anxiety are significant public health concerns with highly negative consequences. College students are faced with a variety of novel social situations and situations encouraging alcohol consumption. The current study involved developing a path model of college problem drinking, including social anxiety, in 316 college students referred to an alcohol intervention due to a campus alcohol violation. Contrary to hypotheses, social anxiety generally had an inver...

  12. Incorporating driver distraction in car-following models: Applying the TCI to the IDM

    Hoogendoorn, R.G.; van Arem, B.; Hoogendoorn, S.P.

    2013-01-01

    ITS can play a significant role in the improvement of traffic flow, traffic safety and greenhouse gas emissions. However, the implementation of Advanced Driver Assistance Systems may lead to adaptation effects in longitudinal driving behavior following driver distraction. It was however not yet clear how to model these adaptation effects in driving behavior mathematically and on which theoretical framework this should be grounded. To this end in this contribution we introduce a theoretical fr...

  13. Reliability constrained decision model for energy service provider incorporating demand response programs

    Mahboubi-Moghaddam, Esmaeil; Nayeripour, Majid; Aghaei, Jamshid

    2016-01-01

    Highlights: • The operation of Energy Service Providers (ESPs) in electricity markets is modeled. • Demand response as the cost-effective solution is used for energy service provider. • The market price uncertainty is modeled using the robust optimization technique. • The reliability of the distribution network is embedded into the framework. • The simulation results demonstrate the benefits of robust framework for ESPs. - Abstract: Demand response (DR) programs are becoming a critical concept for the efficiency of current electric power industries. Therefore, its various capabilities and barriers have to be investigated. In this paper, an effective decision model is presented for the strategic behavior of energy service providers (ESPs) to demonstrate how to participate in the day-ahead electricity market and how to allocate demand in the smart distribution network. Since market price affects DR and vice versa, a new two-step sequential framework is proposed, in which unit commitment problem (UC) is solved to forecast the expected locational marginal prices (LMPs), and successively DR program is applied to optimize the total cost of providing energy for the distribution network customers. This total cost includes the cost of purchased power from the market and distributed generation (DG) units, incentive cost paid to the customers, and compensation cost of power interruptions. To obtain compensation cost, the reliability evaluation of the distribution network is embedded into the framework using some innovative constraints. Furthermore, to consider the unexpected behaviors of the other market participants, the LMP prices are modeled as the uncertainty parameters using the robust optimization technique, which is more practical compared to the conventional stochastic approach. The simulation results demonstrate the significant benefits of the presented framework for the strategic performance of ESPs.

  14. A Compliant Bistable Mechanism Design Incorporating Elastica Buckling Beam Theory and Pseudo-Rigid-Body Model

    Sönmez, Ümit; Tutum, Cem Celal

    2008-01-01

    In this work, a new compliant bistable mechanism design is introduced. The combined use of pseudo-rigid-body model (PRBM) and the Elastica buckling theory is presented for the first time to analyze the new design. This mechanism consists of the large deflecting straight beams, buckling beams...... and the buckling Elastica solution for an original compliant mechanism kinematic analysis. New compliant mechanism designs are presented to highlight where such combined kinematic analysis is required....

  15. Terrestrial Feedbacks Incorporated in Global Vegetation Models through Observed Trait-Environment Responses

    Bodegom, P. V.

    2015-12-01

    Most global vegetation models used to evaluate climate change impacts rely on plant functional types to describe vegetation responses to environmental stresses. In a traditional set-up in which vegetation characteristics are considered constant within a vegetation type, the possibility to implement and infer feedback mechanisms are limited as feedback mechanisms will likely involve a changing expression of community trait values. Based on community assembly concepts, we implemented functional trait-environment relationships into a global dynamic vegetation model to quantitatively assess this feature. For the current climate, a different global vegetation distribution was calculated with and without the inclusion of trait variation, emphasizing the importance of feedbacks -in interaction with competitive processes- for the prevailing global patterns. These trait-environmental responses do, however, not necessarily imply adaptive responses of vegetation to changing conditions and may locally lead to a faster turnover in vegetation upon climate change. Indeed, when running climate projections, simulations with trait variation did not yield a more stable or resilient vegetation than those without. Through the different feedback expressions, global and regional carbon and water fluxes were -however- strongly altered. At a global scale, model projections suggest an increased productivity and hence an increased carbon sink in the next decades to come, when including trait variation. However, by the end of the century, a reduced carbon sink is projected. This effect is due to a downregulation of photosynthesis rates, particularly in the tropical regions, even when accounting for CO2-fertilization effects. Altogether, the various global model simulations suggest the critical importance of including vegetation functional responses to changing environmental conditions to grasp terrestrial feedback mechanisms at global scales in the light of climate change.

  16. Functionalized PCL/HA nanocomposites as microporous membranes for bone regeneration

    Basile, Maria Assunta; Gomez d' Ayala, Giovanna; Malinconico, Mario [Institute for Polymers, Composites and Biomaterials, CNR, Via Campi Flegrei 34, Pozzuoli (Naples) (Italy); Laurienzo, Paola, E-mail: paola.laurienzo@ipcb.cnr.it [Institute for Polymers, Composites and Biomaterials, CNR, Via Campi Flegrei 34, Pozzuoli (Naples) (Italy); Coudane, Jean; Nottelet, Benjamin [Institut des Biomolécules Max Mousseron (IBMM), Artificial Biopolymers Group, CNRS UMR 5247, University of Montpellier 1, Faculty of Pharmacy, 15 Av. C. Flahault, Montpellier 34093 (France); Ragione, Fulvio Della [Department of Biochemistry and Biophysics, Second University of Naples, Via L. De Crecchio 7, Naples (Italy); Oliva, Adriana, E-mail: adriana.oliva@unina2.it [Department of Biochemistry and Biophysics, Second University of Naples, Via L. De Crecchio 7, Naples (Italy)

    2015-03-01

    In the present work, microporous membranes based on poly(ε-caprolactone) (PCL) and PCL functionalized with amine (PCL-DMAEA) or anhydride groups (PCL-MAGMA) were realized by solvent–non solvent phase inversion and proposed for use in Guided Tissue Regeneration (GTR). Nanowhiskers of hydroxyapatite (HA) were also incorporated in the polymer matrix to realize nanocomposite membranes. Scanning Electron Microscopy (SEM) showed improved interfacial adhesion with HA for functionalized polymers, and highlighted substantial differences in the porosity. A relationship between the developed porous structure of the membrane and the chemical nature of grafted groups was proposed. Compared to virgin PCL, hydrophilicity increases for functionalized PCL, while the addition of HA influences significantly the hydrophilic characteristics only in the case of virgin polymer. A significant increase of in vitro degradation rate was found for PCL-MAGMA based membranes, and at lower extent of PCL-DMAEA membranes. The novel materials were investigated regarding their potential as support for cell growth in bone repair using multipotent mesenchymal stromal cells (MSC) as a model. MSC plated onto the various membranes were analyzed in terms of adhesion, proliferation and osteogenic capacity that resulted to be related to chemical as well as porous structure. In particular, PCL-DMAEA and the relative nanocomposite membranes are the most promising in terms of cell-biomaterial interactions. - Graphical abstract: Functionalized PCL is used to realize nanocomposites with hydroxyapatite (HA) in the form of microporous membranes. The influence of different grafted groups on mechanical properties, in vitro degradation, porous membrane structure and interaction with mesenchymal stromal cells (MSC) is discussed. - Highlights: • Functionalized PCL shows faster in vitro degradation rate. • Functionalized PCL shows superior cell adhesion, proliferation and differentiation. • Nanocomposites based

  17. Functionalized PCL/HA nanocomposites as microporous membranes for bone regeneration

    Basile, Maria Assunta; Gomez d'Ayala, Giovanna; Malinconico, Mario; Laurienzo, Paola; Coudane, Jean; Nottelet, Benjamin; Ragione, Fulvio Della; Oliva, Adriana

    2015-01-01

    In the present work, microporous membranes based on poly(ε-caprolactone) (PCL) and PCL functionalized with amine (PCL-DMAEA) or anhydride groups (PCL-MAGMA) were realized by solvent–non solvent phase inversion and proposed for use in Guided Tissue Regeneration (GTR). Nanowhiskers of hydroxyapatite (HA) were also incorporated in the polymer matrix to realize nanocomposite membranes. Scanning Electron Microscopy (SEM) showed improved interfacial adhesion with HA for functionalized polymers, and highlighted substantial differences in the porosity. A relationship between the developed porous structure of the membrane and the chemical nature of grafted groups was proposed. Compared to virgin PCL, hydrophilicity increases for functionalized PCL, while the addition of HA influences significantly the hydrophilic characteristics only in the case of virgin polymer. A significant increase of in vitro degradation rate was found for PCL-MAGMA based membranes, and at lower extent of PCL-DMAEA membranes. The novel materials were investigated regarding their potential as support for cell growth in bone repair using multipotent mesenchymal stromal cells (MSC) as a model. MSC plated onto the various membranes were analyzed in terms of adhesion, proliferation and osteogenic capacity that resulted to be related to chemical as well as porous structure. In particular, PCL-DMAEA and the relative nanocomposite membranes are the most promising in terms of cell-biomaterial interactions. - Graphical abstract: Functionalized PCL is used to realize nanocomposites with hydroxyapatite (HA) in the form of microporous membranes. The influence of different grafted groups on mechanical properties, in vitro degradation, porous membrane structure and interaction with mesenchymal stromal cells (MSC) is discussed. - Highlights: • Functionalized PCL shows faster in vitro degradation rate. • Functionalized PCL shows superior cell adhesion, proliferation and differentiation. • Nanocomposites based

  18. Power Supply Interruption Costs: Models and Methods Incorporating Time Dependent Patterns

    Kjoelle, G.H.

    1996-12-01

    This doctoral thesis develops models and methods for estimation of annual interruption costs for delivery points, emphasizing the handling of time dependent patterns and uncertainties in the variables determining the annual costs. It presents an analytical method for calculation of annual expected interruption costs for delivery points in radial systems, based on a radial reliability model, with time dependent variables. And a similar method for meshed systems, based on a list of outage events, assuming that these events are found in advance from load flow and contingency analyses. A Monte Carlo simulation model is given which handles both time variations and stochastic variations in the input variables and is based on the same list of outage events. This general procedure for radial and meshed systems provides expectation values and probability distributions for interruption costs from delivery points. There is also a procedure for handling uncertainties in input variables by a fuzzy description, giving annual interruption costs as a fuzzy membership function. The methods are developed for practical applications in radial and meshed systems, based on available data from failure statistics, load registrations and customer surveys. Traditional reliability indices such as annual interruption time, power- and energy not supplied, are calculated as by-products. The methods are presented as algorithms and/or procedures which are available as prototypes. 97 refs., 114 figs., 62 tabs

  19. Incorporating Neighborhood Choice in a Model of Neighborhood Effects on Income.

    van Ham, Maarten; Boschman, Sanne; Vogel, Matt

    2018-05-09

    Studies of neighborhood effects often attempt to identify causal effects of neighborhood characteristics on individual outcomes, such as income, education, employment, and health. However, selection looms large in this line of research, and it has been argued that estimates of neighborhood effects are biased because people nonrandomly select into neighborhoods based on their preferences, income, and the availability of alternative housing. We propose a two-step framework to disentangle selection processes in the relationship between neighborhood deprivation and earnings. We model neighborhood selection using a conditional logit model, from which we derive correction terms. Driven by the recognition that most households prefer certain types of neighborhoods rather than specific areas, we employ a principle components analysis to reduce these terms into eight correction components. We use these to adjust parameter estimates from a model of subsequent neighborhood effects on individual income for the unequal probability that a household chooses to live in a particular type of neighborhood. We apply this technique to administrative data from the Netherlands. After we adjust for the differential sorting of households into certain types of neighborhoods, the effect of neighborhood income on individual income diminishes but remains significant. These results further emphasize that researchers need to be attuned to the role of selection bias when assessing the role of neighborhood effects on individual outcomes. Perhaps more importantly, the persistent effect of neighborhood deprivation on subsequent earnings suggests that neighborhood effects reflect more than the shared characteristics of neighborhood residents: place of residence partially determines economic well-being.

  20. Incorporating institutions and collective action into a sociohydrological model of flood resilience

    Yu, David J.; Sangwan, Nikhil; Sung, Kyungmin; Chen, Xi; Merwade, Venkatesh

    2017-02-01

    Stylized sociohydrological models have mainly used social memory aspects such as community awareness or sensitivity to connect hydrologic change and social response. However, social memory alone does not satisfactorily capture the details of how human behavior is translated into collective action for water resources governance. Nor is it the only social mechanism by which the two-way feedbacks of sociohydrology can be operationalized. This study contributes toward bridging of this gap by developing a sociohydrological model of a flood resilience that includes two additional components: (1) institutions for collective action, and (2) connections to an external economic system. Motivated by the case of community-managed flood protection systems (polders) in coastal Bangladesh, we use the model to understand critical general features that affect long-term resilience of human-flood systems. Our findings suggest that occasional adversity can enhance long-term resilience. Allowing some hydrological variability to enter into the polder can increase its adaptive capacity for resilience through the preservation of social norm for collective action. Further, there are potential trade-offs associated with optimization of flood resistance through structural measures. By reducing sensitivity to floods, the system may become more fragile under the double impact of floods and economic change.

  1. Incorporation of β-glucans in meat emulsions through an optimal mixture modeling systems.

    Vasquez Mejia, Sandra M; de Francisco, Alicia; Manique Barreto, Pedro L; Damian, César; Zibetti, Andre Wüst; Mahecha, Hector Suárez; Bohrer, Benjamin M

    2018-05-22

    The effects of β-glucans (βG) in beef emulsions with carrageenan and starch were evaluated using an optimal mixture modeling system. The best mathematical models to describe the cooking loss, color, and textural profile analysis (TPA) were selected and optimized. The cubic models were better to describe the cooking loss, color, and TPA parameters, with the exception of springiness. Emulsions with greater levels of βG and starch had less cooking loss (54 and <62), and greater hardness, cohesiveness and springiness values. Subsequently, during the optimization phase, the use of carrageenan was eliminated. The optimized emulsion contained 3.13 ± 0.11% βG, which could cover the intake daily of βG recommendations. However, the hardness of the optimized emulsion was greater (60,224 ± 1025 N) than expected. The optimized emulsion had a homogeneous structure and normal thermal behavior by DSC and allowed for the manufacture of products with high amounts of βG and desired functional attributes. Copyright © 2018 Elsevier Ltd. All rights reserved.

  2. Absorbed dose evaluation based on a computational voxel model incorporating distinct cerebral structures

    Brandao, Samia de Freitas; Trindade, Bruno; Campos, Tarcisio P.R. [Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG (Brazil)]. E-mail: samiabrandao@gmail.com; bmtrindade@yahoo.com; campos@nuclear.ufmg.br

    2007-07-01

    Brain tumors are quite difficult to treat due to the collateral radiation damages produced on the patients. Despite of the improvements in the therapeutics protocols for this kind of tumor, involving surgery and radiotherapy, the failure rate is still extremely high. This fact occurs because tumors can not often be totally removed by surgery since it may produce some type of deficit in the cerebral functions. Radiotherapy is applied after the surgery, and both are palliative treatments. During radiotherapy the brain does not absorb the radiation dose in homogeneous way, because the various density and chemical composition of tissues involved. With the intention of evaluating better the harmful effects caused by radiotherapy it was developed an elaborated cerebral voxel model to be used in computational simulation of the irradiation protocols of brain tumors. This paper presents some structures function of the central nervous system and a detailed cerebral voxel model, created in the SISCODES program, considering meninges, cortex, gray matter, white matter, corpus callosum, limbic system, ventricles, hypophysis, cerebellum, brain stem and spinal cord. The irradiation protocol simulation was running in the MCNP5 code. The model was irradiated with photons beam whose spectrum simulates a linear accelerator of 6 MV. The dosimetric results were exported to SISCODES, which generated the isodose curves for the protocol. The percentage isodose curves in the brain are present in this paper. (author)

  3. Power Supply Interruption Costs: Models and Methods Incorporating Time Dependent Patterns

    Kjoelle, G.H.

    1996-12-01

    This doctoral thesis develops models and methods for estimation of annual interruption costs for delivery points, emphasizing the handling of time dependent patterns and uncertainties in the variables determining the annual costs. It presents an analytical method for calculation of annual expected interruption costs for delivery points in radial systems, based on a radial reliability model, with time dependent variables. And a similar method for meshed systems, based on a list of outage events, assuming that these events are found in advance from load flow and contingency analyses. A Monte Carlo simulation model is given which handles both time variations and stochastic variations in the input variables and is based on the same list of outage events. This general procedure for radial and meshed systems provides expectation values and probability distributions for interruption costs from delivery points. There is also a procedure for handling uncertainties in input variables by a fuzzy description, giving annual interruption costs as a fuzzy membership function. The methods are developed for practical applications in radial and meshed systems, based on available data from failure statistics, load registrations and customer surveys. Traditional reliability indices such as annual interruption time, power- and energy not supplied, are calculated as by-products. The methods are presented as algorithms and/or procedures which are available as prototypes. 97 refs., 114 figs., 62 tabs.

  4. Biotransformation model of neutral and weakly polar organic compounds in fish incorporating internal partitioning.

    Kuo, Dave T F; Di Toro, Dominic M

    2013-08-01

    A model for whole-body in vivo biotransformation of neutral and weakly polar organic chemicals in fish is presented. It considers internal chemical partitioning and uses Abraham solvation parameters as reactivity descriptors. It assumes that only chemicals freely dissolved in the body fluid may bind with enzymes and subsequently undergo biotransformation reactions. Consequently, the whole-body biotransformation rate of a chemical is retarded by the extent of its distribution in different biological compartments. Using a randomly generated training set (n = 64), the biotransformation model is found to be: log (HLφfish ) = 2.2 (±0.3)B - 2.1 (±0.2)V - 0.6 (±0.3) (root mean square error of prediction [RMSE] = 0.71), where HL is the whole-body biotransformation half-life in days, φfish is the freely dissolved fraction in body fluid, and B and V are the chemical's H-bond acceptance capacity and molecular volume. Abraham-type linear free energy equations were also developed for lipid-water (Klipidw ) and protein-water (Kprotw ) partition coefficients needed for the computation of φfish from independent determinations. These were found to be 1) log Klipidw  = 0.77E - 1.10S - 0.47A - 3.52B + 3.37V + 0.84 (in Lwat /kglipid ; n = 248, RMSE = 0.57) and 2) log Kprotw  = 0.74E - 0.37S - 0.13A - 1.37B + 1.06V - 0.88 (in Lwat /kgprot ; n = 69, RMSE = 0.38), where E, S, and A quantify dispersive/polarization, dipolar, and H-bond-donating interactions, respectively. The biotransformation model performs well in the validation of HL (n = 424, RMSE = 0.71). The predicted rate constants do not exceed the transport limit due to circulatory flow. Furthermore, the model adequately captures variation in biotransformation rate between chemicals with varying log octanol-water partitioning coefficient, B, and V and exhibits high degree of independence from the choice of training chemicals. The

  5. Incorporating Water Boiling in the Numerical Modelling of Thermal Remediation by Electrical Resistance Heating

    Molnar, I. L.; Krol, M.; Mumford, K. G.

    2017-12-01

    Developing numerical models for subsurface thermal remediation techniques - such as Electrical Resistive Heating (ERH) - that include multiphase processes such as in-situ water boiling, gas production and recovery has remained a significant challenge. These subsurface gas generation and recovery processes are driven by physical phenomena such as discrete and unstable gas (bubble) flow as well as water-gas phase mass transfer rates during bubble flow. Traditional approaches to multiphase flow modeling soil remain unable to accurately describe these phenomena. However, it has been demonstrated that Macroscopic Invasion Percolation (MIP) can successfully simulate discrete and unstable gas transport1. This has lead to the development of a coupled Electro Thermal-MIP Model2 (ET-MIP) capable of simulating multiple key processes in the thermal remediation and gas recovery process including: electrical heating of soil and groundwater, water flow, geological heterogeneity, heating-induced buoyant flow, water boiling, gas bubble generation and mobilization, contaminant mass transport and removal, and additional mechanisms such as bubble collapse in cooler regions. This study presents the first rigorous validation of a coupled ET-MIP model against two-dimensional water boiling and water/NAPL co-boiling experiments3. Once validated, the model was used to explore the impact of water and co-boiling events and subsequent gas generation and mobilization on ERH's ability to 1) generate, expand and mobilize gas at boiling and NAPL co-boiling temperatures, 2) efficiently strip contaminants from soil during both boiling and co-boiling. In addition, a quantification of the energy losses arising from steam generation during subsurface water boiling was examined with respect to its impact on the efficacy of thermal remediation. While this study specifically targets ERH, the study's focus on examining the fundamental mechanisms driving thermal remediation (e.g., water boiling) renders

  6. Incorporating single-side sparing in models for predicting parotid dose sparing in head and neck IMRT

    Yuan, Lulin; Wu, Q. Jackie; Yin, Fang-Fang; Yoo, David; Jiang, Yuliang; Ge, Yaorong

    2014-01-01

    Purpose: Sparing of single-side parotid gland is a common practice in head-and-neck (HN) intensity modulated radiation therapy (IMRT) planning. It is a special case of dose sparing tradeoff between different organs-at-risk. The authors describe an improved mathematical model for predicting achievable dose sparing in parotid glands in HN IMRT planning that incorporates single-side sparing considerations based on patient anatomy and learning from prior plan data. Methods: Among 68 HN cases analyzed retrospectively, 35 cases had physician prescribed single-side parotid sparing preferences. The single-side sparing model was trained with cases which had single-side sparing preferences, while the standard model was trained with the remainder of cases. A receiver operating characteristics (ROC) analysis was performed to determine the best criterion that separates the two case groups using the physician's single-side sparing prescription as ground truth. The final predictive model (combined model) takes into account the single-side sparing by switching between the standard and single-side sparing models according to the single-side sparing criterion. The models were tested with 20 additional cases. The significance of the improvement of prediction accuracy by the combined model over the standard model was evaluated using the Wilcoxon rank-sum test. Results: Using the ROC analysis, the best single-side sparing criterion is (1) the predicted median dose of one parotid is higher than 24 Gy; and (2) that of the other is higher than 7 Gy. This criterion gives a true positive rate of 0.82 and a false positive rate of 0.19, respectively. For the bilateral sparing cases, the combined and the standard models performed equally well, with the median of the prediction errors for parotid median dose being 0.34 Gy by both models (p = 0.81). For the single-side sparing cases, the standard model overestimates the median dose by 7.8 Gy on average, while the predictions by the combined

  7. A Refined Model for the Structure of Acireductone Dioxygenase from Klebsiella ATCC 8724 Incorporating Residual Dipolar Couplings

    Pochapsky, Thomas C., E-mail: pochapsk@brandeis.edu; Pochapsky, Susan S.; Ju Tingting [Brandeis University, Department of Chemistry (United States); Hoefler, Chris [Brandeis University, Department of Biochemistry (United States); Liang Jue [Brandeis University, Department of Chemistry (United States)

    2006-02-15

    Acireductone dioxygenase (ARD) from Klebsiella ATCC 8724 is a metalloenzyme that is capable of catalyzing different reactions with the same substrates (acireductone and O{sub 2}) depending upon the metal bound in the active site. A model for the solution structure of the paramagnetic Ni{sup 2+}-containing ARD has been refined using residual dipolar couplings (RDCs) measured in two media. Additional dihedral restraints based on chemical shift (TALOS) were included in the refinement, and backbone structure in the vicinity of the active site was modeled from a crystallographic structure of the mouse homolog of ARD. The incorporation of residual dipolar couplings into the structural refinement alters the relative orientations of several structural features significantly, and improves local secondary structure determination. Comparisons between the solution structures obtained with and without RDCs are made, and structural similarities and differences between mouse and bacterial enzymes are described. Finally, the biological significance of these differences is considered.

  8. Incorporation of a high-roughness lower boundary into a mesoscale model for studies of dry deposition over complex terrain

    Physick, W. L.; Garratt, J. R.

    1995-04-01

    For flow over natural surfaces, there exists a roughness sublayer within the atmospheric surface layer near the boundary. In this sublayer (typically 50 z 0 deep in unstable conditions), the Monin-Obukhov (M-O) flux profile relations for homogeneous surfaces cannot be applied. We have incorporated a modified form of the M-O stability functions (Garratt, 1978, 1980, 1983) in a mesoscale model to take account of this roughness sublayer and examined the diurnal variation of the boundary-layer wind and temperature profiles with and without these modifications. We have also investigated the effect of the modified M-O functions on the aerodynamic and laminar-sublayer resistances associated with the transfer of trace gases to vegetation. Our results show that when an observation height or the lowest level in a model is within the roughness sublayer, neglect of the flux-profile modifications leads to an underestimate of resistances by 7% at the most.

  9. Thermal Degradation of Nanocomposited PMMA/TiO2 Nanocomposites

    Hafizah, Nik Noor; Mamat, Mohamad Hafiz; Rusop, Mohamad; Said, Che Mohamad Som; Abidin, Mohd Hanafiah

    2013-01-01

    The polymer nanocomposite is a new choice to conventionally filled polymers. The lack of proper binding between the filler and the polymer can lead the decrease of the thermal and other properties of the nanocomposites. In this study, the nanocomposited PMMA/TiO 2 nanocomposites were prepared using sonication and solution casting method at different weight percent TiO 2 . The aims of adding TiO 2 in the PMMA is to study the effects of TiO 2 nanofiller on the thermal properties nanocomposites. FESEM results show the higher amounts of TiO 2 in PMMA increase the rough surface morphology of the samples. Further, the Raman results reveal that the TiO 2 nanofiller were successfully intercalated into the PMMA matrix. In addition, the thermal properties of nanocomposited PMMA/TiO 2 nanocomposites were increased with the addition of TiO 2 in the PMMA.

  10. Incorporating the user perspective into a proposed model for assessing success of SHS implementations

    Hans Holtorf

    2015-10-01

    Full Text Available Modern energy can contribute to development in multiple ways while approximately 20% of world's populations do not yet have access to electricity. Solar Home Systems (SHSs consists of a PV module, a charge controller and a battery supply in the range of 100 Wh/d in Sunbelt countries. The question addressed in this paper is how SHS users approach success of their systems and how these user's views can be integrated in to an existing model of success. Information was obtained on the user's approach to their SHSs by participatory observation, interviews with users and by self-observation undertaken by the lead author while residing under SHS electricity supply conditions. It was found that success of SHSs from the users' point of view is related to the ability of these systems to reduce the burdens of supplying energy services to homesteads. SHSs can alleviate some energy supply burdens, and they can improve living conditions by enabling communication on multiple levels and by addressing convenience and safety concerns. However, SHSs do not contribute to the energy services which are indispensable for survival, nor to the thermal energy services required and desired in dwellings of Sunbelt countries. The elements of three of the four components of our previously proposed model of success have been verified and found to be appropriate, namely the user's self-set goals, their importance and SHSs' success factors. The locally appropriate, and scientifically satisfactory, measurement of the level of achievement of self-set goals, the fourth component of our model of success, remains an interesting area for future research.

  11. The Eatwell Guide: Modelling the Health Implications of Incorporating New Sugar and Fibre Guidelines.

    Linda J Cobiac

    Full Text Available To model population health impacts of dietary changes associated with the redevelopment of the UK food-based dietary guidelines (the 'Eatwell Guide'.Using multi-state lifetable methods, we modelled the impact of dietary changes on cardiovascular disease, diabetes and cancers over the lifetime of the current UK population. From this model, we determined change in life expectancy and disability-adjusted life years (DALYs that could be averted.Changing the average diet to that recommended in the new Eatwell Guide, without increasing total energy intake, could increase average life expectancy by 5.4 months (95% uncertainty interval: 4.7 to 6.2 for men and 4.0 months (3.4 to 4.6 for women; and avert 17.9 million (17.6 to 18.2 DALYs over the lifetime of the current population. A large proportion of the health benefits are from prevention of type 2 diabetes, with 440,000 (400,000 to 480,000 new cases prevented in men and 340,000 (310,000 to 370,000 new cases prevented in women, over the next ten years. Prevention of cardiovascular diseases and colorectal cancer is also large. However, if the diet recommended in the new Eatwell Guide is achieved with an accompanying increase in energy intake (and thus an increase in body mass index, around half the potential improvements in population health will not be realised.The dietary changes required to meet recommendations in the Eatwell Guide, which include eating more fruits and vegetables and less red and processed meats and dairy products, are large. However, the potential population health benefits are substantial.

  12. Shelf-life extension of refrigerated sea bass slices wrapped with fish protein isolate/fish skin gelatin-ZnO nanocomposite film incorporated with basil leaf essential oil.

    Arfat, Yasir Ali; Benjakul, Soottawat; Vongkamjan, Kitiya; Sumpavapol, Punnanee; Yarnpakdee, Suthasinee

    2015-10-01

    Microbiological, chemical and sensory changes of sea bass slices wrapped with fish protein isolate (FPI)/fish skin gelatin (FSG) films incorporated with 3 % ZnO nanoparticles (ZnONP) (w/w, based on protein content) and 100 % basil leaf essential oil (BEO) (w/w, based on protein content) during storage of 12 days at 4 °C were investigated. Sea bass slices wrapped with FPI/FSG-ZnONP-BEO film had the lowest growth of psychrophilic bacteria, lactic acid bacteria and spoilage microorganisms including Pseudomonas , H2S-producing bacteria and Enterobacteriaceae throughout storage of 12 days in comparison with those wrapped with FPI/FSG-BEO, FPI/FSG-ZnONP, FPI/FSG film, polypropylene film (PP film) and the control (without wrapping), respectively (P < 0.05). Lowered increases in pH, total volatile base, peroxide value and TBARS value were found in FPI/FSG-ZnO-BEO film wrapped samples, compared with others (P < 0.05). Sensory evaluation revealed that shelf-life of sea bass slices was longest for samples wrapped with FPI/FSG-ZnONP-BEO film (12 days), as compared to the control (6 days) (P < 0.05).

  13. A porcine model of bladder outlet obstruction incorporating radio-telemetered cystometry.

    Shaw, Matthew B; Herndon, Claude D; Cain, Mark P; Rink, Richard C; Kaefer, Martin

    2007-07-01

    To present a novel porcine model of bladder outlet obstruction (BOO) with a standardized bladder outlet resistance and real-time ambulatory radio-telemetered cystometry, as BOO is a common condition with many causes in both adults and children, with significant morbidity and occasional mortality, but attempts to model this condition in many animal models have the fundamental problem of standardising the degree of outlet resistance. BOO was created in nine castrated male pigs by dividing the mid-urethra; outflow was allowed through an implanted bladder drainage catheter containing a resistance valve, allowing urine to flow across the valve only when a set pressure differential was generated across the valve. An implantable radio-telemetered pressure sensor monitored the pressure within the bladder and abdominal cavity, and relayed this information to a remote computer. Four control pigs had an occluded bladder drainage catheter and pressure sensor placed, but were allowed to void normally through the native urethra. Intra-vesical pressure was monitored by telemetry, while the resistance valve was increased weekly, beginning with 2 cmH2O and ultimately reaching 10 cmH2O. The pigs were assessed using conventional cystometry under anaesthesia before death, and samples conserved in formalin for haematoxylin and eosin staining. The pigs had radio-telemetered cystometry for a median of 26 days. All telemetry implants functioned well for the duration of the experiment, but one pig developed a urethral fistula and was excluded from the study. With BOO the bladder mass index (bladder mass/body mass x 10 000) increased from 9.7 to 20 (P = 0.004), with a significant degree of hypertrophy of the detrusor smooth muscle bundles. Obstructed bladders were significantly less compliant than control bladders (8.3 vs 22.1 mL/cmH2O, P = 0.03). Telemetric cystometry showed that there was no statistically significance difference in mean bladder pressure between obstructed and control pigs

  14. Procurement-distribution model for perishable items with quantity discounts incorporating freight policies under fuzzy environment

    Makkar Sandhya

    2013-01-01

    Full Text Available A significant issue of the supply chain problem is how to integrate different entities. Managing supply chain is a difficult task because of complex integrations, especially when the products are perishable in nature. Little attention has been paid on ordering specific perishable products jointly in uncertain environment with multiple sources and multiple destinations. In this article, we propose a supply chain coordination model through quantity and freight discount policy for perishable products under uncertain cost and demand information. A case is provided to validate the procedure.

  15. Dipole estimation errors due to not incorporating anisotropic conductivities in realistic head models for EEG source analysis

    Hallez, Hans; Staelens, Steven; Lemahieu, Ignace

    2009-10-01

    EEG source analysis is a valuable tool for brain functionality research and for diagnosing neurological disorders, such as epilepsy. It requires a geometrical representation of the human head or a head model, which is often modeled as an isotropic conductor. However, it is known that some brain tissues, such as the skull or white matter, have an anisotropic conductivity. Many studies reported that the anisotropic conductivities have an influence on the calculated electrode potentials. However, few studies have assessed the influence of anisotropic conductivities on the dipole estimations. In this study, we want to determine the dipole estimation errors due to not taking into account the anisotropic conductivities of the skull and/or brain tissues. Therefore, head models are constructed with the same geometry, but with an anisotropically conducting skull and/or brain tissue compartment. These head models are used in simulation studies where the dipole location and orientation error is calculated due to neglecting anisotropic conductivities of the skull and brain tissue. Results show that not taking into account the anisotropic conductivities of the skull yields a dipole location error between 2 and 25 mm, with an average of 10 mm. When the anisotropic conductivities of the brain tissues are neglected, the dipole location error ranges between 0 and 5 mm. In this case, the average dipole location error was 2.3 mm. In all simulations, the dipole orientation error was smaller than 10°. We can conclude that the anisotropic conductivities of the skull have to be incorporated to improve the accuracy of EEG source analysis. The results of the simulation, as presented here, also suggest that incorporation of the anisotropic conductivities of brain tissues is not necessary. However, more studies are needed to confirm these suggestions.

  16. Dipole estimation errors due to not incorporating anisotropic conductivities in realistic head models for EEG source analysis

    Hallez, Hans; Staelens, Steven; Lemahieu, Ignace

    2009-01-01

    EEG source analysis is a valuable tool for brain functionality research and for diagnosing neurological disorders, such as epilepsy. It requires a geometrical representation of the human head or a head model, which is often modeled as an isotropic conductor. However, it is known that some brain tissues, such as the skull or white matter, have an anisotropic conductivity. Many studies reported that the anisotropic conductivities have an influence on the calculated electrode potentials. However, few studies have assessed the influence of anisotropic conductivities on the dipole estimations. In this study, we want to determine the dipole estimation errors due to not taking into account the anisotropic conductivities of the skull and/or brain tissues. Therefore, head models are constructed with the same geometry, but with an anisotropically conducting skull and/or brain tissue compartment. These head models are used in simulation studies where the dipole location and orientation error is calculated due to neglecting anisotropic conductivities of the skull and brain tissue. Results show that not taking into account the anisotropic conductivities of the skull yields a dipole location error between 2 and 25 mm, with an average of 10 mm. When the anisotropic conductivities of the brain tissues are neglected, the dipole location error ranges between 0 and 5 mm. In this case, the average dipole location error was 2.3 mm. In all simulations, the dipole orientation error was smaller than 10 deg. We can conclude that the anisotropic conductivities of the skull have to be incorporated to improve the accuracy of EEG source analysis. The results of the simulation, as presented here, also suggest that incorporation of the anisotropic conductivities of brain tissues is not necessary. However, more studies are needed to confirm these suggestions.

  17. Incorporation prior belief in the general path model: A comparison of information sources

    Coble, Jamie; Hines, Wesley

    2014-01-01

    The general path model (GPM) is one approach for performing degradation-based, or Type III, prognostics. The GPM fits a parametric function to the collected observations of a prognostic parameter and extrapolates the fit to a failure threshold. This approach has been successfully applied to a variety of systems when a sufficient number of prognostic parameter observations are available. However, the parametric fit can suffer significantly when few data are available or the data are very noisy. In these instances, it is beneficial to include additional information to influence the fit to conform to a prior belief about the evolution of system degradation. Bayesian statistical approaches have been proposed to include prior information in the form of distributions of expected model parameters. This requires a number of run-to-failure cases with tracked prognostic parameters; these data may not be readily available for many systems. Reliability information and stressor-based (Type I and Type II, respectively) prognostic estimates can provide the necessary prior belief for the GPM. This article presents the Bayesian updating framework to include prior information in the GPM and compares the efficacy of including different information sources on two data sets.

  18. Study of an intraurban travel demand model incorporating commuter preference variables

    Holligan, P. E.; Coote, M. A.; Rushmer, C. R.; Fanning, M. L.

    1971-01-01

    The model is based on the substantial travel data base for the nine-county San Francisco Bay Area, provided by the Metropolitan Transportation Commission. The model is of the abstract type, and makes use of commuter attitudes towards modes and simple demographic characteristics of zones in a region to predict interzonal travel by mode for the region. A characterization of the STOL/VTOL mode was extrapolated by means of a subjective comparison of its expected characteristics with those of modes characterized by the survey. Predictions of STOL demand were made for the Bay Area and an aircraft network was developed to serve this demand. When this aircraft system is compared to the base case system, the demand for STOL service has increased five fold and the resulting economics show considerable benefit from the increased scale of operations. In the previous study all systems required subsidy in varying amounts. The new system shows a substantial profit at an average fare of $3.55 per trip.

  19. An expanded Notch-Delta model exhibiting long-range patterning and incorporating MicroRNA regulation.

    Jerry S Chen

    2014-06-01

    Full Text Available Notch-Delta signaling is a fundamental cell-cell communication mechanism that governs the differentiation of many cell types. Most existing mathematical models of Notch-Delta signaling are based on a feedback loop between Notch and Delta leading to lateral inhibition of neighboring cells. These models result in a checkerboard spatial pattern whereby adjacent cells express opposing levels of Notch and Delta, leading to alternate cell fates. However, a growing body of biological evidence suggests that Notch-Delta signaling produces other patterns that are not checkerboard, and therefore a new model is needed. Here, we present an expanded Notch-Delta model that builds upon previous models, adding a local Notch activity gradient, which affects long-range patterning, and the activity of a regulatory microRNA. This model is motivated by our experiments in the ascidian Ciona intestinalis showing that the peripheral sensory neurons, whose specification is in part regulated by the coordinate activity of Notch-Delta signaling and the microRNA miR-124, exhibit a sparse spatial pattern whereby consecutive neurons may be spaced over a dozen cells apart. We perform rigorous stability and bifurcation analyses, and demonstrate that our model is able to accurately explain and reproduce the neuronal pattern in Ciona. Using Monte Carlo simulations of our model along with miR-124 transgene over-expression assays, we demonstrate that the activity of miR-124 can be incorporated into the Notch decay rate parameter of our model. Finally, we motivate the general applicability of our model to Notch-Delta signaling in other animals by providing evidence that microRNAs regulate Notch-Delta signaling in analogous cell types in other organisms, and by discussing evidence in other organisms of sparse spatial patterns in tissues where Notch-Delta signaling is active.

  20. The effect of intra-abdominal hypertension incorporating severe acute pancreatitis in a porcine model.

    Lu Ke

    Full Text Available INTRODUCTION: Abdominal compartment syndrome (ACS and intra abdominal hypertension(IAH are common clinical findings in patients with severe acute pancreatitis(SAP. It is thought that an increased intra abdominal pressure(IAP is associated with poor prognosis in SAP patients. But the detailed effect of IAH/ACS on different organ system is not clear. The aim of this study was to assess the effect of SAP combined with IAH on hemodynamics, systemic oxygenation, and organ damage in a 12 h lasting porcine model. MEASUREMENTS AND METHODS: Following baseline registrations, a total of 30 animals were divided into 5 groups (6 animals in each group: SAP+IAP30 group, SAP+IAP20 group, SAP group, IAP30 group(sham-operated but without SAP and sham-operated group. We used a N(2 pneumoperitoneum to induce different levels of IAH and retrograde intra-ductal infusion of sodium taurocholate to induce SAP. The investigation period was 12 h. Hemodynamic parameters (CO, HR, MAP, CVP, urine output, oxygenation parameters(e.g., S(vO(2, PO(2, PaCO(2, peak inspiratory pressure, as well as serum parameters (e.g., ALT, amylase, lactate, creatinine were recorded. Histological examination of liver, intestine, pancreas, and lung was performed. MAIN RESULTS: Cardiac output significantly decreased in the SAP+IAH animals compared with other groups. Furthermore, AST, creatinine, SUN and lactate showed similar increasing tendency paralleled with profoundly decrease in S(vO(2. The histopathological analyses also revealed higher grade injury of liver, intestine, pancreas and lung in the SAP+IAH groups. However, few differences were found between the two SAP+IAH groups with different levels of IAP. CONCLUSIONS: Our newly developed porcine SAP+IAH model demonstrated that there were remarkable effects on global hemodynamics, oxygenation and organ function in response to sustained IAH of 12 h combined with SAP. Moreover, our model should be helpful to study the mechanisms of IAH

  1. Load transfer of nanocomposite film on aluminum substrate.

    Her, Shiuh-Chuan; Chien, Pao-Chu

    2018-01-01

    Nanocomposite films have attracted much attention in recent years. Depending on the composition of the film and fabrication method, a large range of applications has been employed for nanocomposite films. In this study, nanocomposite films reinforced with multi-walled carbon nanotubes (MWCNTs) were deposited on the aluminum substrate through hot press processing. A shear lag model and Euler beam theory were employed to evaluate the stress distribution and load carrying capability of the nanocomposite film subjected to tensile load and bending moment. The influence of MWCNT on the Young's modulus and load carrying capability of the nanocomposite film was investigated through a parametric study. The theoretical predictions were verified by comparison with experimental tests. A close agreement with difference less than 6% was achieved between the theoretical prediction and experimental measurements. The Young's modulus and load transfer of the nanocomposite film reinforced with MWCNTs increases with the increase of the MWCNT loading. Compared to the neat epoxy film, nanocomposite film with 1 wt % of MWCNT exhibits an increase of 20% in both the Young's modulus and load carrying capability.

  2. Teaching For Art Criticism: Incorporating Feldman’s Critical Analysis Learning Model In Students’ Studio Practice

    Maithreyi Subramaniam

    2016-01-01

    Full Text Available This study adopted 30 first year graphic design students’ artwork, with critical analysis using Feldman’s model of art criticism. Data were analyzed quantitatively; descriptive statistical techniques were employed. The scores were viewed in the form of mean score and frequencies to determine students’ performances in their critical ability. Pearson Correlation Coefficient was used to find out the correlation between students’ studio practice and art critical ability scores. The findings showed most students performed slightly better than average in the critical analyses and performed best in selecting analysis among the four dimensions assessed. In the context of the students’ studio practice and critical ability, findings showed there are some connections between the students’ art critical ability and studio practice.

  3. Etoposide Incorporated into Camel Milk Phospholipids Liposomes Shows Increased Activity against Fibrosarcoma in a Mouse Model

    Hamzah M. Maswadeh

    2015-01-01

    Full Text Available Phospholipids were isolated from camel milk and identified by using high performance liquid chromatography and gas chromatography-mass spectrometry (GC/MS. Anticancer drug etoposide (ETP was entrapped in liposomes, prepared from camel milk phospholipids, to determine its activity against fibrosarcoma in a murine model. Fibrosarcoma was induced in mice by injecting benzopyrene (BAP and tumor-bearing mice were treated with various formulations of etoposide, including etoposide entrapped camel milk phospholipids liposomes (ETP-Cam-liposomes and etoposide-loaded DPPC-liposomes (ETP-DPPC-liposomes. The tumor-bearing mice treated with ETP-Cam-liposomes showed slow progression of tumors and increased survival compared to free ETP or ETP-DPPC-liposomes. These results suggest that ETP-Cam-liposomes may prove to be a better drug delivery system for anticancer drugs.

  4. Reinforced Mechanical Properties and Tunable Biodegradability in Nanoporous Cellulose Gels: Poly(L-lactide-co-caprolactone) Nanocomposites.

    Li, Kai; Huang, Junchao; Gao, Huichang; Zhong, Yi; Cao, Xiaodong; Chen, Yun; Zhang, Lina; Cai, Jie

    2016-04-11

    Incorporation of nanofillers into aliphatic polyesters is a convenient approach to create new nanomaterials with significantly reinforced mechanical properties compared to the neat polymers or conventional composites. Nanoporous cellulose gels (NCG) prepared from aqueous alkali hydroxide/urea solutions can act as alternative reinforcement nanomaterials for polymers with improved mechanical properties. We report a simple and versatile process for the fabrication of NCG/poly(L-lactide-co-caprolactone) (NCG/P(LLA-co-CL) nanocomposites through in situ ring-opening polymerization of L-lactide (LLA) and ε-caprolactone (ε-CL) monomers in the NCG. The volume fraction of the NCG in the nanocomposites was tunable and ranged from 4.5% to 37%. Fourier transform infrared (FT-IR), X-ray diffraction (XRD), and differential scanning calorimetry (DSC) results indicated that P(LLA-co-CL) were synthesized within the NCG and partially grafted onto the surface of the cellulose nanofibrils. The glass-transition temperature (Tg) of the NCG/P(LLA-co-CL) nanocomposites could be altered by varying the molar ratio of LLA/ε-CL and was affected by the volume fraction of NCG. Atomic force microscopy (AFM) and scanning electron microscopy (SEM) images confirmed that the interconnected nanofibrillar cellulose network structure of the NCG was finely distributed and preserved in the P(LLA-co-CL) matrix after polymerization. The dynamic mechanical analysis (DMA) results showed remarkable reinforcement of the tensile storage modulus (E') of the P(LLA-co-CL) nanocomposites in the presence of NCG, especially above the Tg of the P(LLA-co-CL). The modified percolation model agreed well with the mechanical properties of the NCG/P(LLA-co-CL) nanocomposites. The introduction of NCG into the P(LLA-co-CL) matrix improved the mechanical properties and thermal stability of the NCG/P(LLA-co-CL) nanocomposites. Moreover, the NCG/P(LLA-co-CL) nanocomposites have tunable biodegradability and biocompatibility and

  5. Atomistic modelling study of lanthanide incorporation in the crystal lattice of an apatite

    Louis-Achille, V.

    1999-01-01

    Studies of natural and synthetic apatites allow to propose such crystals as matrix for nuclear waste storage. The neodymium substituted britholite, Ca 9 Nd(PO 4 ) 5 (SiO 4 )F 2 . is a model for the trivalent actinide storage Neodymium can be substituted in two types of sites. The aim of this thesis is to compare the chemical nature of this two sites in fluoro-apatite Ca 9 (PO 4 ) 6 F 2 and then in britholite, using ab initio atomistic modeling. Two approaches are used: one considers the infinite crystals and the second considers clusters. The calculations of the electronic structure for both were performed using Kohn and Sham density functional theory in the local approximation. For solids, pseudopotentials were used, and wave functions are expanded in plane waves. For clusters, a frozen core approximation was used, and the wave functions are expanded in a linear combination of Slater type atomic orbitals. The pseudopotential is semi-relativistic for neodymium, and the Hamiltonian is scalar relativistic for the clusters. The validation of the solid approach is performed using two test cases: YPO 4 and ScPO 4 . Two numerical tools were developed to compute electronic deformation density map, and calculate partial density of stases. A full optimisation of the lattice parameters with a relaxation of the atomic coordinates leads to correct structural and thermodynamic properties for the fluoro-apatite, compared to experience. The electronic deformation density maps do not show any significant differences. between the two calcium sites. but Mulliken analysis on the solid and on the clusters point out the more ionic behavior of the calcium in site 2. A neodymium substituted britholite is then studied. Neodymium location only induces local modifications in; the crystalline structure and few changes in the formation enthalpy. The electronic study points out an increase of the covalent character the bonding involving neodymium compared with the one related to calcium

  6. An evaluation of a paediatric radiation oncology teaching programme incorporating a SCORPIO teaching model

    Ahern, Verity

    2011-01-01

    Full text: Many radiation oncology registrars have no exposure to paedi atrics during their training, To address this, the Paediatric Special Interest Group of the Royal Australian and New Zealand College of Radiologists has convened a biennial teaching course since 1997. The 2009 course incorpo rated the use of a Structured, Clinical, Objective-Referenced, Problem orientated, Integrated and Organized (SCORPIO) teaching model for small group tutorials. This study evaluates whether the paediatric radiation oncol ogy curriculum can be adapted to the SCORPIO teaching model and to evaluate the revised course from the registrars' perspective. Methods: Teaching and learning resources included a pre-course reading list, a lecture series programme and a SCORPIO workshop. Three evaluation instruments were developed: an overall Course Evaluation Survey for all participants, a SCORPIO Workshop Survey for registrars and a Teacher's SCORPIO Workshop Survey. Results: Forty-five radiation oncology registrars, 14 radiation therapists and five paediatric oncology registrars attended. Seventy-three per cent (47/64) of all participants completed the Course Evaluation Survey and 95% (38/40) of registrars completed the SCORPIO Workshop Survey. All teachers com pleted the Teacher's SCORPIO Survey (10/10). The overall educational expe rience was rated as good or excellent by 93% (43/47) of respondents. Ratings of satisfaction with lecture sessions were predominantly good or excellent. Registrars gave the SCORPIO workshop high ratings on each of 10 aspects of quality, with 82% allocating an excellent rating overall for the SCORPIO activity. Both registrars and teachers recommended more time for the SCORPIO stations. Conclusions: The 2009 course met the educational needs of the radiation oncology registrars and the SCORPIO workshop was a highly valued educa tional component.

  7. Incorporation of cooling-induced crystallisation into a 2-dimensional axisymmetric conduit heat flow model

    Heptinstall, D. A.; Neuberg, J. W.; Bouvet de Maisonneuve, C.; Collinson, A.; Taisne, B.; Morgan, D. J.

    2015-12-01

    Heat flow models can bring new insights into the thermal and rheological evolution of volcanic systems. We shall investigate the thermal processes and timescales in a crystallizing, static magma column, with a heat flow model of Soufriere Hills Volcano (SHV), Montserrat. The latent heat of crystallization is initially computed with MELTS, as a function of pressure and temperature for an andesitic melt (SHV groundmass starting composition). Three fractional crystallization simulations are performed; two with initial pressures of 34MPa (runs 1 & 2) and one of 25MPa (run 3). Decompression rate was varied between 0.1MPa/°C (runs 1 & 3) and 0.2MPa/°C (run 2). Natural and experimental matrix glass compositions are accurately reproduced by all MELTS runs. The cumulative latent heat released for runs 1, 2 and 3 differs by less than 9% (8.69e5 J/kg*K, 9.32e5 J/kg*K, and 9.49e5 J/kg*K respectively). The 2D axisymmetric conductive cooling simulations consider a 30m-diameter conduit that extends from the surface to a depth of 1500m (34MPa). The temporal evolution of temperature is closely tracked at depths of 10m, 750m and 1400m in the center of the conduit, at the conduit walls, and 20m from the walls into the host rock. Following initial cooling by 7-15oC at 10m depth inside the conduit, the magma temperature rebounds through latent heat release by 32-35oC over 85-123 days to a maximum temperature of 1002-1005oC. At 10 m depth, it takes 4.1-9.2 years for the magma column to cool over 108-130oC and crystallize to 75wt%, at which point it cannot be easily remobilized. It takes 11-31.5 years to reach the same crystallinity at 750-1400m depth. We find a wide range in cooling timescales, particularly at depths of 750m or greater, attributed to the initial run pressure and dominant latent heat producing crystallizing phases (Quartz), where run 1 cools fastest and run 3 cools slowest. Surface cooling by comparison has the strongest influence on the upper tens of meters in all

  8. Incorporation of cooling-induced crystallization into a 2-dimensional axisymmetric conduit heat flow model

    Heptinstall, David; Bouvet de Maisonneuve, Caroline; Neuberg, Jurgen; Taisne, Benoit; Collinson, Amy

    2016-04-01

    Heat flow models can bring new insights into the thermal and rheological evolution of volcanic 3 systems. We shall investigate the thermal processes and timescales in a crystallizing, static 4 magma column, with a heat flow model of Soufriere Hills Volcano (SHV), Montserrat. The latent heat of crystallization is initially computed with MELTS, as a function of pressure and temperature for an andesitic melt (SHV groundmass starting composition). Three fractional crystallization simulations are performed; two with initial pressures of 34MPa (runs 1 & 2) and one of 25MPa (run 3). Decompression rate was varied between 0.1MPa/° C (runs 1 & 3) and 0.2MPa/° C (run 2). Natural and experimental matrix glass compositions are accurately reproduced by all MELTS runs. The cumulative latent heat released for runs 1, 2 and 3 differs by less than 9% (8.69E5 J/kg*K, 9.32E5 J/kg*K, and 9.49E5 J/kg*K respectively). The 2D axisymmetric conductive cooling simulations consider a 30m-diameter conduit that extends from the surface to a depth of 1500m (34MPa). The temporal evolution of temperature is closely tracked at depths of 10m, 750m and 1400m in the centre of the conduit, at the conduit walls, and 20m from the walls into the host rock. Following initial cooling by 7-15oC at 10m depth inside the conduit, the magma temperature rebounds through latent heat release by 32-35oC over 85-123 days to a maximum temperature of 1002-1005oC. At 10m depth, it takes 4.1-9.2 years for the magma column to cool by 108-131oC and crystallize to 75wt%, at which point it cannot be easily remobilized. It takes 11-31.5 years to reach the same crystallinity at 750-1400m depth. We find a wide range in cooling timescales, particularly at depths of 750m or greater, attributed to the initial run pressure and the dominant latent heat producing crystallizing phase, Albite-rich Plagioclase Feldspar. Run 1 is shown to cool fastest and run 3 cool the slowest, with surface emissivity having the strongest cooling

  9. Incorporating the CALPHAD sublattice approach of ordering into the phase-field model with finite interface dissipation

    Zhang, Lijun; Stratmann, Matthias; Du, Yong; Sundman, Bo; Steinbach, Ingo

    2015-01-01

    A new approach to incorporate the sublattice models in the CALPHAD (CALculation of PHAse Diagram) formalism directly into the phase-field formalism is developed. In binary alloys, the sublattice models can be classified into two types (i.e., “Type I” and “Type II”), depending on whether a direct one-to-one relation between the element site fraction in the CALPHAD database and the phase concentration in the phase-field model exists (Type I), or not (Type II). For “Type II” sublattice models, the specific site fractions, corresponding to a given mole fraction, have to be established via internal relaxation between different sublattices. Internal minimization of sublattice occupancy and solute evolution during microstructure transformation leads, in general, to a solution superior to the separate solution of the individual problems. The present coupling technique is validated for Fe–C and Ni–Al alloys. Finally, the model is extended into multicomponent alloys and applied to simulate the nucleation process of VC monocarbide from austenite matrix in a steel containing vanadium

  10. Incorporation of expert variability into breast cancer treatment recommendation in designing clinical protocol guided fuzzy rule system models.

    Garibaldi, Jonathan M; Zhou, Shang-Ming; Wang, Xiao-Ying; John, Robert I; Ellis, Ian O

    2012-06-01

    It has been often demonstrated that clinicians exhibit both inter-expert and intra-expert variability when making difficult decisions. In contrast, the vast majority of computerized models that aim to provide automated support for such decisions do not explicitly recognize or replicate this variability. Furthermore, the perfect consistency of computerized models is often presented as a de facto benefit. In this paper, we describe a novel approach to incorporate variability within a fuzzy inference system using non-stationary fuzzy sets in order to replicate human variability. We apply our approach to a decision problem concerning the recommendation of post-operative breast cancer treatment; specifically, whether or not to administer chemotherapy based on assessment of five clinical variables: NPI (the Nottingham Prognostic Index), estrogen receptor status, vascular invasion, age and lymph node status. In doing so, we explore whether such explicit modeling of variability provides any performance advantage over a more conventional fuzzy approach, when tested on a set of 1310 unselected cases collected over a fourteen year period at the Nottingham University Hospitals NHS Trust, UK. The experimental results show that the standard fuzzy inference system (that does not model variability) achieves overall agreement to clinical practice around 84.6% (95% CI: 84.1-84.9%), while the non-stationary fuzzy model can significantly increase performance to around 88.1% (95% CI: 88.0-88.2%), psystems in any application domain. Copyright © 2012 Elsevier Inc. All rights reserved.

  11. Computational cardiology: the bidomain based modified Hill model incorporating viscous effects for cardiac defibrillation

    Cansız, Barış; Dal, Hüsnü; Kaliske, Michael

    2017-10-01

    Working mechanisms of the cardiac defibrillation are still in debate due to the limited experimental facilities and one-third of patients even do not respond to cardiac resynchronization therapy. With an aim to develop a milestone towards reaching the unrevealed mechanisms of the defibrillation phenomenon, we propose a bidomain based finite element formulation of cardiac electromechanics by taking into account the viscous effects that are disregarded by many researchers. To do so, the material is deemed as an electro-visco-active material and described by the modified Hill model (Cansız et al. in Comput Methods Appl Mech Eng 315:434-466, 2017). On the numerical side, we utilize a staggered solution method, where the elliptic and parabolic part of the bidomain equations and the mechanical field are solved sequentially. The comparative simulations designate that the viscoelastic and elastic formulations lead to remarkably different outcomes upon an externally applied electric field to the myocardial tissue. Besides, the achieved framework requires significantly less computational time and memory compared to monolithic schemes without loss of stability for the presented examples.

  12. Incorporating Vibration Test Results for the Advanced Stirling Convertor into the System Dynamic Model

    Meer, David W.; Lewandowski, Edward J.

    2010-01-01

    The U.S. Department of Energy (DOE), Lockheed Martin Corporation (LM), and NASA Glenn Research Center (GRC) have been developing the Advanced Stirling Radioisotope Generator (ASRG) for use as a power system for space science missions. As part of the extended operation testing of this power system, the Advanced Stirling Convertors (ASC) at NASA GRC undergo a vibration test sequence intended to simulate the vibration history that an ASC would experience when used in an ASRG for a space mission. During these tests, a data system collects several performance-related parameters from the convertor under test for health monitoring and analysis. Recently, an additional sensor recorded the slip table position during vibration testing to qualification level. The System Dynamic Model (SDM) integrates Stirling cycle thermodynamics, heat flow, mechanical mass, spring, damper systems, and electrical characteristics of the linear alternator and controller. This Paper presents a comparison of the performance of the ASC when exposed to vibration to that predicted by the SDM when exposed to the same vibration.

  13. Incorporating the gut microbiota into models of human and non-human primate ecology and evolution.

    Amato, Katherine R

    2016-01-01

    The mammalian gut is home to a diverse community of microbes. Advances in technology over the past two decades have allowed us to examine this community, the gut microbiota, in more detail, revealing a wide range of influences on host nutrition, health, and behavior. These host-gut microbe interactions appear to shape host plasticity and fitness in a variety of contexts, and therefore represent a key factor missing from existing models of human and non-human primate ecology and evolution. However, current studies of the gut microbiota tend to include limited contextual data or are clinical, making it difficult to directly test broad anthropological hypotheses. Here, I review what is known about the animal gut microbiota and provide examples of how gut microbiota research can be integrated into the study of human and non-human primate ecology and evolution with targeted data collection. Specifically, I examine how the gut microbiota may impact primate diet, energetics, disease resistance, and cognition. While gut microbiota research is proliferating rapidly, especially in the context of humans, there remain important gaps in our understanding of host-gut microbe interactions that will require an anthropological perspective to fill. Likewise, gut microbiota research will be an important tool for filling remaining gaps in anthropological research. © 2016 Wiley Periodicals, Inc.

  14. Searching for the true diet of marine predators: incorporating Bayesian priors into stable isotope mixing models.

    André Chiaradia

    Full Text Available Reconstructing the diet of top marine predators is of great significance in several key areas of applied ecology, requiring accurate estimation of their true diet. However, from conventional stomach content analysis to recent stable isotope and DNA analyses, no one method is bias or error free. Here, we evaluated the accuracy of recent methods to estimate the actual proportion of a controlled diet fed to a top-predator seabird, the Little penguin (Eudyptula minor. We combined published DNA data of penguins scats with blood plasma δ(15N and δ(13C values to reconstruct the diet of individual penguins fed experimentally. Mismatch between controlled (true ingested diet and dietary estimates obtained through the separately use of stable isotope and DNA data suggested some degree of differences in prey assimilation (stable isotope and digestion rates (DNA analysis. In contrast, combined posterior isotope mixing model with DNA Bayesian priors provided the closest match to the true diet. We provided the first evidence suggesting that the combined use of these complementary techniques may provide better estimates of the actual diet of top marine predators- a powerful tool in applied ecology in the search for the true consumed diet.

  15. Modeling the suppression of boron transient enhanced diffusion in silicon by substitutional carbon incorporation

    Ngau, Julie L.; Griffin, Peter B.; Plummer, James D.

    2001-08-01

    Recent work has indicated that the suppression of boron transient enhanced diffusion (TED) in carbon-rich Si is caused by nonequilibrium Si point defect concentrations, specifically the undersaturation of Si self-interstitials, that result from the coupled out-diffusion of carbon interstitials via the kick-out and Frank-Turnbull reactions. This study of boron TED reduction in Si1-x-yGexCy during 750 °C inert anneals has revealed that the use of an additional reaction that further reduces the Si self-interstitial concentration is necessary to describe accurately the time evolved diffusion behavior of boron. In this article, we present a comprehensive model which includes {311} defects, boron-interstitial clusters, a carbon kick-out reaction, a carbon Frank-Turnbull reaction, and a carbon interstitial-carbon substitutional (CiCs) pairing reaction that successfully simulates carbon suppression of boron TED at 750 °C for anneal times ranging from 10 s to 60 min.

  16. Modeling the suppression of boron transient enhanced diffusion in silicon by substitutional carbon incorporation

    Ngau, Julie L.; Griffin, Peter B.; Plummer, James D.

    2001-01-01

    Recent work has indicated that the suppression of boron transient enhanced diffusion (TED) in carbon-rich Si is caused by nonequilibrium Si point defect concentrations, specifically the undersaturation of Si self-interstitials, that result from the coupled out-diffusion of carbon interstitials via the kick-out and Frank--Turnbull reactions. This study of boron TED reduction in Si 1-x-y Ge x C y during 750 o C inert anneals has revealed that the use of an additional reaction that further reduces the Si self-interstitial concentration is necessary to describe accurately the time evolved diffusion behavior of boron. In this article, we present a comprehensive model which includes {311} defects, boron-interstitial clusters, a carbon kick-out reaction, a carbon Frank--Turnbull reaction, and a carbon interstitial-carbon substitutional (C i C s ) pairing reaction that successfully simulates carbon suppression of boron TED at 750 o C for anneal times ranging from 10 s to 60 min. copyright 2001 American Institute of Physics

  17. Calibrating the BOLD signal during a motor task using an extended fusion model incorporating DOT, BOLD and ASL data

    Yücel, Meryem A.; Huppert, Theodore J.; Boas, David A.; Gagnon, Louis

    2012-01-01

    Multimodal imaging improves the accuracy of the localization and the quantification of brain activation when measuring different manifestations of the hemodynamic response associated with cerebral activity. In this study, we incorporated cerebral blood flow (CBF) changes measured with arterial spin labeling (ASL), Diffuse Optical Tomography (DOT) and blood oxygen level-dependent (BOLD) recordings to reconstruct changes in oxy- (ΔHbO2) and deoxyhemoglobin (ΔHbR). Using the Grubb relation between relative changes in CBF and cerebral blood volume (CBV), we incorporated the ASL measurement as a prior to the total hemoglobin concentration change (ΔHbT). We applied this ASL fusion model to both synthetic data and experimental multimodal recordings during a 2-sec finger-tapping task. Our results show that the new approach is very powerful in estimating ΔHbO2 and ΔHbR with high spatial and quantitative accuracy. Moreover, our approach allows the computation of baseline total hemoglobin concentration (HbT0) as well as of the BOLD calibration factor M on a single subject basis. We obtained an average HbT0 of 71 μM, an average M value of 0.18 and an average increase of 13 % in cerebral metabolic rate of oxygen (CMRO2), all of which are in agreement with values previously reported in the literature. Our method yields an independent measurement of M, which provides an alternative measurement to validate the hypercapnic calibration of the BOLD signal. PMID:22546318

  18. Ecological approach to graphene oxide reinforced poly (methyl methacrylate) nanocomposites.

    Morimune, Seira; Nishino, Takashi; Goto, Takuya

    2012-07-25

    Graphene oxide (GO) possesses the desirable characteristic of aqueous solution processability attributed to the oxygen-containing functional groups on the basal planes and edges of graphene. To provide an alternative to conventional procedures for fabricating poly (methyl methacrylate) (PMMA)/GO nanocomposites, which use organic solutions and/or surfactants, we have developed an environmentally friendly technique in which PMMA is polymerized by soap-free emulsion polymerization and incorporated with GO using water as a processing medium. Experimental results showed that the fabricated PMMA/GO nanocomposites had excellent mechanical, thermal, and O2 barrier properties with the nanodispersion of GO.

  19. Chitosan based metallic nanocomposite scaffolds as antimicrobial wound dressings.

    Mohandas, Annapoorna; Deepthi, S; Biswas, Raja; Jayakumar, R

    2018-09-01

    Chitosan based nanocomposite scaffolds have attracted wider applications in medicine, in the area of drug delivery, tissue engineering and wound healing. Chitosan matrix incorporated with nanometallic components has immense potential in the area of wound dressings due to its antimicrobial properties. This review focuses on the different combinations of Chitosan metal nanocomposites such as Chitosan/nAg, Chitosan/nAu, Chitosan/nCu, Chitosan/nZnO and Chitosan/nTiO 2 towards enhancement of healing or infection control with special reference to the antimicrobial mechanism of action and toxicity.

  20. Methods for obtention of PS/clay nanocomposites

    Lins, Pedro G.; Valera, Ticiane S.; Coelho, Caio P.D.; Demarquette, Nicole R.

    2009-01-01

    In this work, nanocomposites of Polystyrene (PS) and organoclay were obtained using a twin-screw extruder and a mixer Haake. A commercial clay named Cloisite 20A was used. The clay and the nanocomposites were characterized by X-Ray Diffraction. The rheological properties were investigated carrying out small amplitude oscillatory strain (SAOS). The results of X-ray diffraction showed that the polymer was incorporated by the organoclay. The results of SAOS indicated a better clay dispersion for the samples obtained using the mixer. (author)

  1. Investigating the property profile of polyamide-alumina nanocomposite materials

    Sarwar, Muhammad Ilyas; Zulfiqar, Sonia; Ahmad, Zahoor

    2009-01-01

    Transparent sol-gel-derived nanocomposites were prepared by incorporating an alumina network into a polyamide matrix. Different amounts of aluminum butoxide were hydrolyzed and condensed to produce the alumina network. Thin composite films were characterized in terms of their optical, morphological, mechanical and thermomechanical properties. Tensile modulus, stress at both yield and break points, improved for alumina loadings of 5-10 wt.%. The glass transition temperature increased to 140 o C for nanocomposites containing 15 wt.% alumina. Scanning electron microscopy investigations indicated a uniform distribution of alumina in the polyamide matrix.

  2. Conducting polyamine nanocomposites development

    Nascimento, R.C.; Maciel, T.C.G.L.; Guimaraes, M.J.O.C.; Garcia, M.E.F.

    2010-01-01

    Polymeric nanocomposites are hybrid materials formed by the combination of inorganic nanoparticles dispersed in a polymeric matrix with, at least, one dimension in the nanometer range. It was used as nanoparticles layered and tubular clay minerals, and its insertion and dispersion were conducted through the in situ polymerization technique. As the polymer matrix, it was utilized a polyamine, which, later, will be inserted in a polyacrylamide gel for the development of a compound that aggregates both main characteristics. The nanocomposites were prepared in different polymerization conditions (temperature, concentration and nanoparticle type) and characterized by XRD and FTIR. It was observed that regarding the polymerization conditions, the temperature had influence on the kind of material obtained and on the reaction speed; the type of nanoparticle affected its interaction with the polymer matrix, predominantly providing the formation of nanocomposites by the intercalation mechanism in the layered clay. (author)

  3. Development of Advanced Continuum Models that Incorporate Nanomechanical Deformation into Engineering Analysis.

    Zimmerman, Jonathan A.; Jones, Reese E.; Templeton, Jeremy Alan; McDowell, David L.; Mayeur, Jason R.; Tucker, Garritt J.; Bammann, Douglas J.; Gao, Huajian

    2008-09-01

    Materials with characteristic structures at nanoscale sizes exhibit significantly different mechani-cal responses from those predicted by conventional, macroscopic continuum theory. For example,nanocrystalline metals display an inverse Hall-Petch effect whereby the strength of the materialdecreases with decreasing grain size. The origin of this effect is believed to be a change in defor-mation mechanisms from dislocation motion across grains and pileup at grain boundaries at mi-croscopic grain sizes to rotation of grains and deformation within grain boundary interface regionsfor nanostructured materials. These rotational defects are represented by the mathematical conceptof disclinations. The ability to capture these effects within continuum theory, thereby connectingnanoscale materials phenomena and macroscale behavior, has eluded the research community.The goal of our project was to develop a consistent theory to model both the evolution ofdisclinations and their kinetics. Additionally, we sought to develop approaches to extract contin-uum mechanical information from nanoscale structure to verify any developed continuum theorythat includes dislocation and disclination behavior. These approaches yield engineering-scale ex-pressions to quantify elastic and inelastic deformation in all varieties of materials, even those thatpossess highly directional bonding within their molecular structures such as liquid crystals, cova-lent ceramics, polymers and biological materials. This level of accuracy is critical for engineeringdesign and thermo-mechanical analysis is performed in micro- and nanosystems. The researchproposed here innovates on how these nanoscale deformation mechanisms should be incorporatedinto a continuum mechanical formulation, and provides the foundation upon which to develop ameans for predicting the performance of advanced engineering materials.4 AcknowledgmentThe authors acknowledge helpful discussions with Farid F. Abraham, Youping Chen, Terry J

  4. Incorporating transportation network modeling tools within transportation economic impact studies of disasters

    Yi Wen

    2014-08-01

    Full Text Available Transportation system disruption due to a disaster results in "ripple effects" throughout the entire transportation system of a metropolitan region. Many researchers have focused on the economic costs of transportation system disruptions in transportation-related industries, specifïcally within commerce and logistics, in the assessment of the regional economic costs. However, the foundation of an assessment of the regional economic costs of a disaster needs to include the evaluation of consumer surplus in addition to the direct cost for reconstruction of the regional transportation system. The objective of this study is to propose a method to estimate the regional consumer surplus based on indirect economic costs of a disaster on intermodal transportation systems in the context of diverting vehicles and trains. The computational methods used to assess the regional indirect economic costs sustained by the highway and railroad system can utilize readily available state departments of transportation (DOTs and metropolitan planning organizations (MPOs traffic models allowing prioritization of regional recovery plans after a disaster and strengthening of infrastructure before a disaster. Hurricane Katrina is one of the most devastating hurricanes in the history of the United States. Due to the significance of Hurricane Katrina, a case study is presented to evaluate consumer surplus in the Gulf Coast Region of Mississippi. Results from the case study indicate the costs of rerouting and congestion delays in the regional highway system and the rent costs of right-of-way in the regional railroad system are major factors of the indirect costs in the consumer surplus.

  5. A quantitative systems pharmacology approach, incorporating a novel liver model, for predicting pharmacokinetic drug-drug interactions.

    Cherkaoui-Rbati, Mohammed H; Paine, Stuart W; Littlewood, Peter; Rauch, Cyril

    2017-01-01

    All pharmaceutical companies are required to assess pharmacokinetic drug-drug interactions (DDIs) of new chemical entities (NCEs) and mathematical prediction helps to select the best NCE candidate with regard to adverse effects resulting from a DDI before any costly clinical studies. Most current models assume that the liver is a homogeneous organ where the majority of the metabolism occurs. However, the circulatory system of the liver has a complex hierarchical geometry which distributes xenobiotics throughout the organ. Nevertheless, the lobule (liver unit), located at the end of each branch, is composed of many sinusoids where the blood flow can vary and therefore creates heterogeneity (e.g. drug concentration, enzyme level). A liver model was constructed by describing the geometry of a lobule, where the blood velocity increases toward the central vein, and by modeling the exchange mechanisms between the blood and hepatocytes. Moreover, the three major DDI mechanisms of metabolic enzymes; competitive inhibition, mechanism based inhibition and induction, were accounted for with an undefined number of drugs and/or enzymes. The liver model was incorporated into a physiological-based pharmacokinetic (PBPK) model and simulations produced, that in turn were compared to ten clinical results. The liver model generated a hierarchy of 5 sinusoidal levels and estimated a blood volume of 283 mL and a cell density of 193 × 106 cells/g in the liver. The overall PBPK model predicted the pharmacokinetics of midazolam and the magnitude of the clinical DDI with perpetrator drug(s) including spatial and temporal enzyme levels changes. The model presented herein may reduce costs and the use of laboratory animals and give the opportunity to explore different clinical scenarios, which reduce the risk of adverse events, prior to costly human clinical studies.

  6. A quantitative systems pharmacology approach, incorporating a novel liver model, for predicting pharmacokinetic drug-drug interactions.

    Mohammed H Cherkaoui-Rbati

    Full Text Available All pharmaceutical companies are required to assess pharmacokinetic drug-drug interactions (DDIs of new chemical entities (NCEs and mathematical prediction helps to select the best NCE candidate with regard to adverse effects resulting from a DDI before any costly clinical studies. Most current models assume that the liver is a homogeneous organ where the majority of the metabolism occurs. However, the circulatory system of the liver has a complex hierarchical geometry which distributes xenobiotics throughout the organ. Nevertheless, the lobule (liver unit, located at the end of each branch, is composed of many sinusoids where the blood flow can vary and therefore creates heterogeneity (e.g. drug concentration, enzyme level. A liver model was constructed by describing the geometry of a lobule, where the blood velocity increases toward the central vein, and by modeling the exchange mechanisms between the blood and hepatocytes. Moreover, the three major DDI mechanisms of metabolic enzymes; competitive inhibition, mechanism based inhibition and induction, were accounted for with an undefined number of drugs and/or enzymes. The liver model was incorporated into a physiological-based pharmacokinetic (PBPK model and simulations produced, that in turn were compared to ten clinical results. The liver model generated a hierarchy of 5 sinusoidal levels and estimated a blood volume of 283 mL and a cell density of 193 × 106 cells/g in the liver. The overall PBPK model predicted the pharmacokinetics of midazolam and the magnitude of the clinical DDI with perpetrator drug(s including spatial and temporal enzyme levels changes. The model presented herein may reduce costs and the use of laboratory animals and give the opportunity to explore different clinical scenarios, which reduce the risk of adverse events, prior to costly human clinical studies.

  7. Nanocomposited coatings produced by laser-assisted process to prevent silicone hydogels from protein fouling and bacterial contamination

    Huang, Guobang; Chen, Yi; Zhang, Jin

    2016-01-01

    Graphical abstract: Nanocomposited-coating was deposited on silicone hydrogel by using the matrix-assisted pulsed laser evaporation (MAPLE) process. The ZnO–PEG nanocomposited coating reduces over 50% protein absorption on silicone hydrogel, and can inhibit the bacterial growth efficiently. - Highlights: • We developed a nanocomposited coating to prevent silicone hydrogel from biofouling. • Matrix-assisted pulsed laser evaporation can deposit inorganic–organic nanomaterials. • The designed nanocomposited coating reduces protein absorption by over 50%. • The designed nanocomposited coating shows significant antimicrobial efficiency. - Abstract: Zinc oxide (ZnO) nanoparticles incorporating with polyethylene glycol (PEG) were deposited together on the surface of silicone hydrogel through matrix-assisted pulsed laser evaporation (MAPLE). In this process, frozen nanocomposites (ZnO–PEG) in isopropanol were irradiated under a pulsed Nd:YAG laser at 532 nm for 1 h. Our results indicate that the MAPLE process is able to maintain the chemical backbone of polymer and prevent the nanocomposite coating from contamination. The ZnO–PEG nanocomposited coating reduces over 50% protein absorption on silicone hydrogel. The cytotoxicity study shows that the ZnO–PEG nanocomposites deposited on silicone hydrogels do not impose the toxic effect on mouse NIH/3T3 cells. In addition, MAPLE-deposited ZnO–PEG nanocomposites can inhibit the bacterial growth significantly.

  8. Synthesis and characterization of polyaniline coated gold nanocomposites

    Zuber, Siti Nurzulaiha Mohd; Kamarun, Dzaraini; Zaki, Hamizah; Kamarudin, Mohamad Shukri [Faculty of Applied Sciences, Universiti Teknologi MARA (UiTM), Shah Alam, 40450 Selangor Darul Ehsan (Malaysia); Thomas, Sabu; Kalarikkal, Nandakumar [International and Inter University Centre of Nanoscience and Nanotechnoogy, Mahatma Ghandi University, Priyadarsini Hills Kottayam, Kerala India-686560 (India)

    2015-08-28

    Considerable attention has been drawn during the last two decades to prepare nanocomposites consists of conducting polymer and noble metal due to their potential ability to generate a new class of material with novel optical, chemical, electronic or mechanical properties for various applications. In this work, an attempt has been made to synthesize nanocomposite of polyaniline (PANI) coated with gold nanoparticles (AuNPs) chemically with various types of surfactants such as polyvinylpyrrolidone (PVP), and sodium dodecyl sulphate (SDS) which act as stabilizing agents to help in stabilization of the PANI/Gold nanocomposites system. The synthesized nanocomposites were characterized by UV-Visible, field emission scanning electron microscope (FESEM) and particle size analyzer (PSA). The formation of finger like structure can be seen in the FESEM images when the AuNPs were incorporated into the polymer matrix. The EDX data showed that 18.66% and 12.67% of AuNPs atoms were present in the composite system thus proved the incorporation of AuNPs into the polymer matrix. A small red shift of the absorption peak in the UV-Vis of both PANI/AuNPs composites system may be due to the incorporation of AuNPs in the PANI matrix.

  9. Synthesis and characterization of polyaniline coated gold nanocomposites

    Zuber, Siti Nurzulaiha Mohd; Kamarun, Dzaraini; Zaki, Hamizah; Kamarudin, Mohamad Shukri; Thomas, Sabu; Kalarikkal, Nandakumar

    2015-01-01

    Considerable attention has been drawn during the last two decades to prepare nanocomposites consists of conducting polymer and noble metal due to their potential ability to generate a new class of material with novel optical, chemical, electronic or mechanical properties for various applications. In this work, an attempt has been made to synthesize nanocomposite of polyaniline (PANI) coated with gold nanoparticles (AuNPs) chemically with various types of surfactants such as polyvinylpyrrolidone (PVP), and sodium dodecyl sulphate (SDS) which act as stabilizing agents to help in stabilization of the PANI/Gold nanocomposites system. The synthesized nanocomposites were characterized by UV-Visible, field emission scanning electron microscope (FESEM) and particle size analyzer (PSA). The formation of finger like structure can be seen in the FESEM images when the AuNPs were incorporated into the polymer matrix. The EDX data showed that 18.66% and 12.67% of AuNPs atoms were present in the composite system thus proved the incorporation of AuNPs into the polymer matrix. A small red shift of the absorption peak in the UV-Vis of both PANI/AuNPs composites system may be due to the incorporation of AuNPs in the PANI matrix

  10. Mechanical Properties of Graphene-Rubber Nanocomposites

    Anhar, N. A. M.; Ramli, M. M.; Hambali, N. A. M. A.; Aziz, A. A.; Mat Isa, S. S.; Danial, N. S.; Abdullah, M. M. A. B.

    2017-11-01

    This research focused on development of wearable sensor device by using Prevulcanized Natural Rubber (PV) and Epoxidized Natural Rubber (ENR 50) latex incorporated with graphene oxide (GO), graphene paste, graphene powder and reduced graphene oxide (rGO) powder. The compounding formulation and calculation were based on phr (parts per hundred rubber) and all the samples were then tested for mechanical properties using Instron 5565 machine. It was found that the sonication effects on tensile strength may have better quality of tensile strength compared to non-sonicated GO. For PV incorporate GO, the optimum loading was best determined at loading 1.5 phr with or without sonication and similar result was recorded for PV/G. For ENR 50 incorporate graphene paste and rGO powder nanocomposite shows the best optimum was at 3.0 phr with 24 hours’ sonication.

  11. Mechanical, structural and thermal properties of Ag-Cu and ZnO reinforced polylactide nanocomposite films.

    Ahmed, Jasim; Arfat, Yasir Ali; Castro-Aguirre, Edgar; Auras, Rafael

    2016-05-01

    Plasticized polylactic acid (PLA) based nanocomposite films were prepared by incorporating polyethylene glycol (PEG) and two selected nanoparticles (NPs) [silver-copper (Ag-Cu) alloy (film matrix. Copyright © 2016 Elsevier B.V. All rights reserved.

  12. High-performance polyamide thin-film-nanocomposite reverse osmosis membranes containing hydrophobic zeolitic imidazolate framework-8

    Duan, Jintang; Pan, Yichang; Pacheco Oreamuno, Federico; Litwiller, Eric; Lai, Zhiping; Pinnau, Ingo

    2015-01-01

    A hydrophobic, hydrothermally stable metal-organic framework (MOF) - zeolitic imidazolate framework-8 (ZIF-8) was successfully incorporated into the selective polyamide (PA) layer of thin-film nanocomposite (TFN) membranes for water desalination

  13. Towards a Predictive Thermodynamic Model of Oxidation States of Uranium Incorporated in Fe (hydr) oxides

    Bagus, Paul S. [Univ. of North Texas, Denton, TX (United States)

    2013-01-01

    -Level Excited States: Consequences For X-Ray Absorption Spectroscopy”, J. Elec. Spectros. and Related Phenom., 200, 174 (2015) describes our first application of these methods. As well as applications to problems and materials of direct interest for our PNNL colleagues, we have pursued applications of fundamental theoretical significance for the analysis and interpretation of XPS and XAS spectra. These studies are important for the development of the fields of core-level spectroscopies as well as to advance our capabilities for applications of interest to our PNNL colleagues. An excellent example is our study of the surface core-level shifts, SCLS, for the surface and bulk atoms of an oxide that provides a new approach to understanding how the surface electronic of oxides differs from that in the bulk of the material. This work has the potential to lead to a new key to understanding the reactivity of oxide surfaces. Our theoretical studies use cluster models with finite numbers of atoms to describe the properties of condensed phases and crystals. This approach has allowed us to focus on the local atomistic, chemical interactions. For these clusters, we obtain orbitals and spinors through the solution of the Hartree-Fock, HF, and the fully relativistic Dirac HF equations. These orbitals are used to form configuration mixing wavefunctions which treat the many-body effects responsible for the open shell angular momentum coupling and for the satellites of the core-level spectra. Our efforts have been in two complementary directions. As well as the applications described above, we have placed major emphasis on the enhancement and extension of our theoretical and computational capabilities so that we can treat complex systems with a greater range of many-body effects. Noteworthy accomplishments in terms of method development and enhancement have included: (1) An improvement in our treatment of the large matrices that must be handled when many-body effects are treated. (2

  14. A New Paradigm For Modeling Fault Zone Inelasticity: A Multiscale Continuum Framework Incorporating Spontaneous Localization and Grain Fragmentation.

    Elbanna, A. E.

    2015-12-01

    The brittle portion of the crust contains structural features such as faults, jogs, joints, bends and cataclastic zones that span a wide range of length scales. These features may have a profound effect on earthquake nucleation, propagation and arrest. Incorporating these existing features in modeling and the ability to spontaneously generate new one in response to earthquake loading is crucial for predicting seismicity patterns, distribution of aftershocks and nucleation sites, earthquakes arrest mechanisms, and topological changes in the seismogenic zone structure. Here, we report on our efforts in modeling two important mechanisms contributing to the evolution of fault zone topology: (1) Grain comminution at the submeter scale, and (2) Secondary faulting/plasticity at the scale of few to hundreds of meters. We use the finite element software Abaqus to model the dynamic rupture. The constitutive response of the fault zone is modeled using the Shear Transformation Zone theory, a non-equilibrium statistical thermodynamic framework for modeling plastic deformation and localization in amorphous materials such as fault gouge. The gouge layer is modeled as 2D plane strain region with a finite thickness and heterogeenous distribution of porosity. By coupling the amorphous gouge with the surrounding elastic bulk, the model introduces a set of novel features that go beyond the state of the art. These include: (1) self-consistent rate dependent plasticity with a physically-motivated set of internal variables, (2) non-locality that alleviates mesh dependence of shear band formation, (3) spontaneous evolution of fault roughness and its strike which affects ground motion generation and the local stress fields, and (4) spontaneous evolution of grain size and fault zone fabric.

  15. A bi-level integrated generation-transmission planning model incorporating the impacts of demand response by operation simulation

    Zhang, Ning; Hu, Zhaoguang; Springer, Cecilia; Li, Yanning; Shen, Bo

    2016-01-01

    Highlights: • We put forward a novel bi-level integrated power system planning model. • Generation expansion planning and transmission expansion planning are combined. • The effects of two sorts of demand response in reducing peak load are considered. • Operation simulation is conducted to reflect the actual effects of demand response. • The interactions between the two levels can guarantee a reasonably optimal result. - Abstract: If all the resources in power supply side, transmission part, and power demand side are considered together, the optimal expansion scheme from the perspective of the whole system can be achieved. In this paper, generation expansion planning and transmission expansion planning are combined into one model. Moreover, the effects of demand response in reducing peak load are taken into account in the planning model, which can cut back the generation expansion capacity and transmission expansion capacity. Existing approaches to considering demand response for planning tend to overestimate the impacts of demand response on peak load reduction. These approaches usually focus on power reduction at the moment of peak load without considering the situations in which load demand at another moment may unexpectedly become the new peak load due to demand response. These situations are analyzed in this paper. Accordingly, a novel approach to incorporating demand response in a planning model is proposed. A modified unit commitment model with demand response is utilized. The planning model is thereby a bi-level model with interactions between generation-transmission expansion planning and operation simulation to reflect the actual effects of demand response and find the reasonably optimal planning result.

  16. Magnetic polymer nanocomposites for sensing applications

    Alfadhel, Ahmed

    2014-11-01

    We report the fabrication and characterization of magnetic polymer nanocomposites for a wide range of sensing applications. The composites are made of magnetic nanowires (NWs) incorporated into polymers such as polydimethylsiloxane (PDMS) or UV sensitive SU-S. The developed composites utilize the permanent magnetic behavior of the NWs, allowing remote operation without an additional magnetic field to magnetize the NWs, which simplifies miniaturization and integration in microsystems. In addition, the nanocomposite benefits from the easy patterning of the polymer leading to a corrosion resistant, highly elastic, and permanent magnetic material that can be used to develop highly sensitive systems. Nanocomposite pillars are realized and integrated on magnetic sensor elements to achieve highly sensitive and power efficient flow and tactile sensors. The developed flow sensor can detect air and water flow at a power consumption as little as SO nW and a resolution up to 15 μm/s with easily modifiable performance. A tactile sensor element prototype is realized using the same concept, where a pressure range of 0-169 kPa is detected with a resolution of up to 1.3 kPa. © 2014 IEEE.

  17. Modelling sediment dynamics due to hillslope-river interactions : incorporating fluvial behaviour in landscape evolution model LAPSUS

    Baartman, Jantiene E. M.; van Gorp, Wouter; Temme, Arnaud J. A. M.; Schoorl, Jeroen M.

    Landscape evolution models (LEMs) simulate the three-dimensional development of landscapes over time. Different LEMs have different foci, e.g. erosional behaviour, river dynamics, the fluvial domain, hillslopes or a combination. LEM LAPSUS is a relatively simple cellular model operating on

  18. Magnetic graphene based nanocomposite for uranium scavenging

    El-Maghrabi, Heba H. [Egyptian Petroleum Research Institute, 11727, Cairo (Egypt); Abdelmaged, Shaimaa M. [Nuclear Materials Authority, 6530 P.O. Box Maadi, Cairo (Egypt); Nada, Amr A. [Egyptian Petroleum Research Institute, 11727, Cairo (Egypt); Zahran, Fouad, E-mail: f.zahran@quim.ucm.es [Faculty of Science, Helwan University, 11795, Cairo (Egypt); El-Wahab, Saad Abd; Yahea, Dena [Faculty of Science, Ain shams University, Cairo (Egypt); Hussein, G.M.; Atrees, M.S. [Nuclear Materials Authority, 6530 P.O. Box Maadi, Cairo (Egypt)

    2017-01-15

    Graphical abstract: Graphical representation of U{sup 6+} adsorption on Magnetic Ferberite-Graphene Nanocomposite. - Highlights: • Synthesis of new magnetic wolframite bimetallic nanostructure on graphene. • A promising adsorption capacity of 455 mg/g was recorded for FG-20 within 60 min at room temperature. • The uranium removal was followed pseudo-second order kinetics and Langmuir isotherm. - Abstract: Magnetic graphene based ferberite nanocomposite was tailored by simple, green, low cost and industrial effective method. The microstructure and morphology of the designed nanomaterials were examined via XRD, Raman, FTIR, TEM, EDX and VSM. The prepared nanocomposites were introduced as a novel adsorbent for uranium ions scavenging from aqueous solution. Different operating conditions of time, pH, initial uranium concentration, adsorbent amount and temperature were investigated. The experimental data shows a promising adsorption capacity. In particular, a maximum value of 455 mg/g was obtained within 60 min at room temperature with adsorption efficiency of 90.5%. The kinetics and isotherms adsorption data were fitted with the pseudo-second order model and Langmuir equation, respectively. Finally, the designed nanocomposites were found to have a great degree of sustainability (above 5 times of profiteering) with a complete maintenance of their parental morphology and adsorption capacity.

  19. Biopolymer based nanocomposites reinforced with graphene nanoplatelets

    Botta, L.; Scaffaro, R.; Mistretta, M. C.; La Mantia, F. P. [Dipartimento di Ingegneria Civile, Ambientale, Aerospaziale, dei Materiali, Università di Palermo, UdR INSTM di Palermo, Viale delle Scienze, 90128 Palermo (Italy)

    2016-05-18

    In this work, biopolymer based nanocomposites filled with graphene nanoplatelets (GnP) were prepared by melt compounding in a batch mixer. The polymer used as matrix was a commercial biodegradable polymer-blend of PLA and a copolyester (BioFlex®). The prepared materials were characterized by scanning electron microscopy (SEM), rheological and mechanical measurements. Moreover, the effect of the GnP amount on the investigated properties was evaluated. The results indicated that the incorporation of GnP increased the stiffness of the biopolymeric matrix.

  20. An improved analytical model of 4H-SiC MESFET incorporating bulk and interface trapping effects

    Hema Lata Rao, M.; Narasimha Murty, N. V. L.

    2015-01-01

    An improved analytical model for the current—voltage (I-V) characteristics of the 4H-SiC metal semiconductor field effect transistor (MESFET) on a high purity semi-insulating (HPSI) substrate with trapping and thermal effects is presented. The 4H-SiC MESFET structure includes a stack of HPSI substrates and a uniformly doped channel layer. The trapping effects include both the effect of multiple deep-level traps in the substrate and surface traps between the gate to source/drain. The self-heating effects are also incorporated to obtain the accurate and realistic nature of the analytical model. The importance of the proposed model is emphasised through the inclusion of the recent and exact nature of the traps in the 4H-SiC HPSI substrate responsible for substrate compensation. The analytical model is used to exhibit DC I-V characteristics of the device with and without trapping and thermal effects. From the results, the current degradation is observed due to the surface and substrate trapping effects and the negative conductance introduced by the self-heating effect at a high drain voltage. The calculated results are compared with reported experimental and two-dimensional simulations (Silvaco®-TCAD). The proposed model also illustrates the effectiveness of the gate—source distance scaling effect compared to the gate—drain scaling effect in optimizing 4H-SiC MESFET performance. Results demonstrate that the proposed I-V model of 4H-SiC MESFET is suitable for realizing SiC based monolithic circuits (MMICs) on HPSI substrates.