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Sample records for nanosized grain structure

  1. Nano-Sized Grain Refinement Using Friction Stir Processing

    Science.gov (United States)

    2013-03-01

    based on plastic deformation have been developed for grain refinement in Mg alloys such as rolling, Equal Channel Angular Processing ( ECAP ) and Equal...Research Laboratory. Introduction Magnesium ( Mg ) alloys have been widely used for structural components in the automotive, aerospace and...electronics industry due to their low density, high strength to stiffness ratio, good damping capacity, diecastability and recycling. However Mg alloys

  2. Grain Refinement and Mechanical Properties of Cu-Cr-Zr Alloys with Different Nano-Sized TiCp Addition.

    Science.gov (United States)

    Zhang, Dongdong; Bai, Fang; Wang, Yong; Wang, Jinguo; Wang, Wenquan

    2017-08-08

    The TiC p /Cu master alloy was prepared via thermal explosion reaction. Afterwards, the nano-sized TiC p /Cu master alloy was dispersed by electromagnetic stirring casting into the melting Cu-Cr-Zr alloys to fabricate the nano-sized TiC p -reinforced Cu-Cr-Zr composites. Results show that nano-sized TiC p can effectively refine the grain size of Cu-Cr-Zr alloys. The morphologies of grain in Cu-Cr-Zr composites changed from dendritic grain to equiaxed crystal because of the addition and dispersion of nano-sized TiC p . The grain size decreased from 82 to 28 μm with the nano-sized TiC p content. Compared with Cu-Cr-Zr alloys, the ultimate compressive strength (σ UCS ) and yield strength (σ 0.2 ) of 4 wt% TiC p -reinforced Cu-Cr-Zr composites increased by 6.7% and 9.4%, respectively. The wear resistance of the nano-sized TiCp-reinforced Cu-Cr-Zr composites increased with the increasing nano-sized TiCp content. The wear loss of the nano-sized TiC p -reinforced Cu-Cr-Zr composites decreased with the increasing TiC p content under abrasive particles. The eletrical conductivity of Cu-Cr-Zr alloys, 2% and 4% nano-sized TiCp-reinforced Cu-Cr-Zr composites are 64.71% IACS, 56.77% IACS and 52.93% IACS, respectively.

  3. Structural and magnetic properties of mechanochemically synthesized nanosized yttrium titanate

    Directory of Open Access Journals (Sweden)

    Barudžija Tanja

    2012-01-01

    Full Text Available Nanosized perovskite YTiO3 with the mean crystallite size of 18 nm was synthesized for the first time by mechanochemical treatment. The mechanochemical solid state reaction between commercial Y2O3 powder and mechanochemically synthesized TiO powder in molar ratio 0.5:1 was completed for 3 h in a high-energy planetary ball mill in argon atmosphere. The heating in vacuum at 1150 °C for 12 h transforms nanosized YTiO3 to a well-crystallized single-phase perovskite YTiO3. Both samples were characterized by X-ray diffraction (XRD and thermogravimetric (TGA/DTA analyses, as well as superconducting quantum interference device magnetometer (SQUID measurements.

  4. Solvent-free synthesis of nanosized hierarchical sodalite zeolite with a multi-hollow polycrystalline structure

    KAUST Repository

    Zeng, Shangjing

    2016-08-03

    A solvent-free route is developed for preparing nanoscale sodalite zeolite with a multi-hollow structure. Furthermore, the synthesis of nanosized hollow sodalite polycrystalline aggregates with a mesoporous structure and high crystallinity is investigated by adding an organosilane surfactant as a mesopore-generating agent.

  5. Cooperative doping effects of Ti and nano-SiC on transport critical current density and grain connectivity of in situ MgB{sub 2} tapes

    Energy Technology Data Exchange (ETDEWEB)

    Pan, X.F., E-mail: PAN.Xifeng@nims.go.jp [National Institute for Materials Science, Superconducting Materials Research Center, 1-2-1, Sengen, Tsukuba, Ibaraki 305-0047 (Japan)] [Key Laboratory of Magnetic Levitation and Maglev Trains (Ministry of Education of China), Superconductivity R and D Center (SRDC), Southwest Jiaotong University, Chengdu 610031 (China); Matsumoto, A.; Kumakura, H. [National Institute for Materials Science, Superconducting Materials Research Center, 1-2-1, Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Cheng, C.H.; Zhao, Y. [Key Laboratory of Magnetic Levitation and Maglev Trains (Ministry of Education of China), Superconductivity R and D Center (SRDC), Southwest Jiaotong University, Chengdu 610031 (China)] [School of Materials Science and Engineering, University of New South Wales, Sydney 2052, NSW (Australia)

    2011-11-15

    We studied the cooperative doping effects of Ti and nano-SiC on transport J{sub c} and grain connectivity of MgB{sub 2} tape. Ti doping significantly weakens the current dependence of T{sub c} of MgB{sub 2} tapes at self-field, and does not change T{sub c} or slightly increases T{sub c}. Further Ti adding can enhance in-field J{sub c} performance of SiC doped MgB{sub 2} tapes by a factor of 50-100% at 4.2 K and 10 T. Ti addition improves the J{sub c} performance of undoped and SiC doped MgB{sub 2} by modifying their grains connection. By now, nano-SiC powder (20-30 nm) is still the most effective additive for improving upper critical field and critical current density of MgB{sub 2}-based superconducting materials. However, some decomposed carbon aggregates at grain boundaries and results in serious weak-links of MgB{sub 2} grains, and these weak-links limit the further improvement of critical current density, J{sub c} of MgB{sub 2}, especially at lower fields. Ti doping is reported to increase the compactness of MgB{sub 2}, and modify its intergranular coupling by forming ultrathin TiB{sub 2} layer at grain boundaries. In this work, we studied the cooperative doping effects of Ti and nano-SiC on transport J{sub c} and grain connectivity of MgB{sub 2} and the possibility to improve transport J{sub c} of SiC doped MgB{sub 2} by introducing Ti additive. The results suggest the Ti addition can obviously improve J{sub c} of MgB{sub 2} at lower fields and also enhance the J{sub c} of SiC doped MgB{sub 2} by improving their grain connectivity which shows serious intergranular weak-links.

  6. Study on the Influence of Nano-SiC on the Structure and Properties of Nodular Cast Iron

    Science.gov (United States)

    Zhu, Ruixiang; SU, Yong; Qin, Xinyu

    2017-10-01

    In this paper, the effect of adding Nano-SiC on the structure and mechanical properties of nodular cast iron during inoculation and spheroidizing process is mainly studied. Three sets of samples were set up: one group is without adding Nano-SiC, and the other two groups are adding Nano-SiC in the spheroidizing process and inoculation step. The three groups of castings were sampled from the core and 1/4 respectively and treated by isothermal quenching. The influences of Nano-SiC and heat treatment process on the microstructure and mechanical properties of nodular cast iron were discussed through the observation of impact work, hardness and metallographic structure of Vivtorinox. The experimental results show that with the addition of Nano-SiC, the spheroidization rate, spheroidization degree and graphitization of the graphite in casting structure are improved. In mechanical properties, the impact toughness of the samples with adding Nano-SiC during inoculation is the best, and the hardness of nodular cast iron can be improved. After heat treatment, the impact toughness of nodular cast iron samples increased obviously, but the hardness decreased generally.

  7. Structure of extremely nanosized and confined In-O species in ordered porous materials

    International Nuclear Information System (INIS)

    Ramallo-Lopez, J.M.; Renteria, M.; Miro, E.E.; Requejo, F.G.; Traverse, A.

    2003-01-01

    Perturbed-angular correlation, x-ray absorption, and small-angle x-ray scattering spectroscopies were suitably combined to elucidate the local structure of highly diluted and dispersed InO x species confined in the porous of the ZSM5 zeolite. This novel approach allow us to determined the structure of extremely nanosized In-O species exchanged inside the 10-atom-ring channel of the zeolite, and to quantify the amount of In 2 O 3 crystallites deposited onto the external zeolite surface

  8. CASS Ferrite and Grain Structure Relationship

    Energy Technology Data Exchange (ETDEWEB)

    Ruud, Clayton O. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Ramuhalli, Pradeep [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Meyer, Ryan M. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Diaz, Aaron A. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Anderson, Michael T. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2016-07-13

    This document summarizes the results of research conducted at Pacific Northwest National Laboratory (PNNL) to determine whether, based on experimental measurements, a correlation existed between grain structure in cast austenitic stainless steel (CASS) piping and ferrite content of the casting alloy. The motivation for this research lies in the fact that ultrasonic testing (UT) is strongly influenced by CASS grain structure; knowledge of this grain structure may help improve the ability to interpret UT responses, thereby improving the overall reliability of UT inspections of CASS components.

  9. Silicon-based photocells of enhanced spectral sensitivity with nano-sized graded band gap structures

    International Nuclear Information System (INIS)

    Bakhadyrkhanov, M.K.; Isamov, S.B.; Iliev, K.M. et al.

    2014-01-01

    Photoelectric properties of monocrystalline silicon with multiply charged nanoclusters are studied that generate 'silicon clusters', i.e., nano-sized graded band gap structures. Multiply charged nanoclusters of manganese atoms strongly influence the photoelectric properties of monocrystalline silicon and expand the range of spectral sensitivity up to 8 μm; the photoelectric sensitivity reaches ∼10 9 . Conditions occur for the emergence of photo-emf in such a material in the infrared region when hν< E g . The obtained experimental data expand the functional capabilities for the application of silicon with multiply charged impurity atoms. (authors)

  10. Structure of Nano-sized CeO2 Materials: Combined Scattering and Spectroscopic Investigations.

    Science.gov (United States)

    Marchbank, Huw R; Clark, Adam H; Hyde, Timothy I; Playford, Helen Y; Tucker, Matthew G; Thompsett, David; Fisher, Janet M; Chapman, Karena W; Beyer, Kevin A; Monte, Manuel; Longo, Alessandro; Sankar, Gopinathan

    2016-11-04

    The structure of several nano-sized ceria, CeO 2 , systems was investigated using neutron and X-ray diffraction and X-ray absorption spectroscopy. Whilst both diffraction and total pair distribution functions (PDFs) revealed that in all of the samples the occupancy of both Ce 4+ and O 2- are very close to the ideal stoichiometry, the analysis using Reverse Monte Carlo technique revealed significant disorder around oxygen atoms in the nano-sized ceria samples in comparison to the highly crystalline NIST standard. In addition, the analysis revealed that the main differences observed in the pair correlations from various X-ray and neutron diffraction techniques were attributable to the particle size of the CeO 2 prepared by the reported three methods. Furthermore, detailed analysis of the Ce L 3 - and K-edge EXAFS data support this finding; in particular the decrease in higher shell coordination numbers with respect to the NIST standard, is attributed to differences in particle size. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Reflection characterization of nano-sized dielectric structure in Morpho butterfly wings

    Science.gov (United States)

    Zhu, Dong

    2017-10-01

    Morpho butterflies living in Central and South America are well-known for their structural-colored blue wings. The blue coloring originates from the interaction of light with nano-sized dielectric structures that are equipped on the external surface of scales covering over their wings. The high-accuracy nonstandard finite-difference time domain (NS-FDTD) method is used to investigate the reflection characterization from the nanostructures. In the NS-FDTD calculation, a computational model is built to mimic the actual tree-like multilayered structures wherever possible using the hyperbolic tangent functions. It is generally known that both multilayer interference and diffraction grating phenomena can occur when light enters the nano-sized multilayered structure. To answer the question that which phenomenon is mainly responsible for the blue coloring, the NS-FDTD calculation is performed under various incidence angles at wavelengths from 360 to 500 nm. The calculated results at one incident wavelength under different incidence angles are visualized in a two-dimensional mapping image, where horizontal and vertical axes are incidence and reflection angles, respectively. The images demonstrate a remarkable transition from a ring-like pattern at shorter wavelengths to a retro-reflection pattern at longer wavelengths. To clarify the origin of the pattern transition, the model is separated into several simpler parts and compared their mapping images with the theoretical diffraction calculations. It can be concluded that the blue coloring at longer wavelengths is mainly caused by the cooperation of multilayer interference and retro-reflection while the effect of diffraction grating is predominant at shorter wavelengths.

  12. Surface energy effect on free vibration of nano-sized piezoelectric double-shell structures

    Science.gov (United States)

    Fang, Xue-Qian; Zhu, Chang-Song; Liu, Jin-Xi; Liu, Xiang-Lin

    2018-01-01

    Combining Goldenveizer-Novozhilov shell theory, thin plate theory and electro-elastic surface theory, the size-dependent vibration of nano-sized piezoelectric double-shell structures under simply supported boundary condition is presented, and the surface energy effect on the natural frequencies is discussed. The displacement components of the cylindrical nano-shells and annular nano-plates are expanded as the superposition of standard Fourier series based on Hamilton's principle. The total stresses with consideration of surface energy effect are derived, and the total energy function is obtained by using Rayleigh-Ritz energy method. The free vibration equation is solved, and the natural frequency is analyzed. In numerical examples, it is found that the surface elastic constant, piezoelectric constant and surface residual stress show different effects on the natural frequencies. The effect of surface piezoelectric constant is the maximum. The effect of dimensions of the double-shell under different surface material properties is also examined.

  13. Grain boundary atomic structure and properties

    Czech Academy of Sciences Publication Activity Database

    Paidar, Václav

    2002-01-01

    Roč. 8, - (2002), s. 24-30 ISSN 1335-1532 R&D Projects: GA ČR GA202/02/0916 Institutional research plan: CEZ:AV0Z1010914 Keywords : atomic structures * grain boundary properties * phase transformations Subject RIV: BM - Solid Matter Physics ; Magnetism

  14. Structures and transitions in tungsten grain boundaries

    Energy Technology Data Exchange (ETDEWEB)

    Frolov, T. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Zhu, Q. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Marian, J. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Rudd, R. E. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2017-02-07

    The objective of this study is to develop a computational methodology to predict structure, energies of tungsten grain boundaries as a function of misorientation and inclination. The energies and the mobilities are the necessary input for thermomechanical model of recrystallization of tungsten for magnetic fusion applications being developed by the Marian Group at UCLA.

  15. Spin-resolved magnetic studies of focused ion beam etched nano-sized magnetic structures

    International Nuclear Information System (INIS)

    Li Jian; Rau, Carl

    2005-01-01

    Scanning ion microscopy with polarization analysis (SIMPA) is used to study the spin-resolved surface magnetic structure of nano-sized magnetic systems. SIMPA is utilized for in situ topographic and spin-resolved magnetic domain imaging as well as for focused ion beam (FIB) etching of desired structures in magnetic or non-magnetic systems. Ultra-thin Co films are deposited on surfaces of Si(1 0 0) substrates, and ultra-thin, tri-layered, bct Fe(1 0 0)/Mn/bct Fe(1 0 0) wedged magnetic structures are deposited on fcc Pd(1 0 0) substrates. SIMPA experiments clearly show that ion-induced electrons emitted from magnetic surfaces exhibit non-zero electron spin polarization (ESP), whereas electrons emitted from non-magnetic surfaces such as Si and Pd exhibit zero ESP, which can be used to calibrate sputtering rates in situ. We report on new, spin-resolved magnetic microstructures, such as magnetic 'C' states and magnetic vortices, found at surfaces of FIB patterned magnetic elements. It is found that FIB milling has a negligible effect on surface magnetic domain and domain wall structures. It is demonstrated that SIMPA can evolve into an important and efficient tool to study magnetic domain, domain wall and other structures as well as to perform magnetic depth profiling of magnetic nano-systems to be used in ultra-high density magnetic recording and in magnetic sensors

  16. Durable Lotus-effect surfaces with hierarchical structure using micro- and nanosized hydrophobic silica particles.

    Science.gov (United States)

    Ebert, Daniel; Bhushan, Bharat

    2012-02-15

    Surfaces with a very high apparent water contact angle (CA) and low water contact angle hysteresis (CAH) exhibit many useful characteristics, among them extreme water repellency, low drag for fluid flow, and a self-cleaning effect. The leaf of the Lotus plant (Nelumbo nucifera) achieves these properties using a hierarchical structure with roughness on both the micro- and nanoscale. It is of great interest to create durable surfaces with the so-called "Lotus effect" for many important applications. In this study, hierarchically structured surfaces with Lotus-effect properties were fabricated using micro- and nanosized hydrophobic silica particles and a simple spray method. In addition, hierarchically structured surfaces were prepared by spraying a nanoparticulate coating over a micropatterned surface. To examine the similarities between surfaces using microparticles versus a uniform micropattern as the microstructure, CA and CAH were compared across a range of pitch values for the two types of microstructures. Wear experiments were performed using an atomic force microscope (AFM), a ball-on-flat tribometer, and a water jet apparatus to verify multiscale wear resistance. These surfaces have potential uses in engineering applications requiring Lotus-effect properties and high durability. Copyright © 2011 Elsevier Inc. All rights reserved.

  17. Effects of nano-sized silicon dioxide on the structures and activities of three functional proteins

    International Nuclear Information System (INIS)

    Xu Zhen; Wang Shilong; Gao Hongwen

    2010-01-01

    Nanomaterials are finding increasing use in industrial production and daily life. However, human exposure to them may cause health risks. Nano-SiO 2 was selected as a representative nanomaterial and its potential effects were investigated in terms of its interactions with cytochrome c (cyt c), deoxyribonuclease (DNase II) and hemoglobin (Hb). The interactions accorded with Langmuir isothermal adsorption; the saturation binding numbers for cyt c, DNase II and Hb were 42 ± 5, 24 ± 2 and 1.1 ± 0.1 μmol/g nano-SiO 2 particle at pH 7.4, respectively, and the corresponding stability constants were 6.15 x 105, 1.79 x 106 and 2.6 x 107 M -1 . On the basis of the binding constants and of ζ-potential fluorescence and circular dichroism (CD) measurements and scanning electronic microscopy (SEM), it was found that the three functional proteins can bridge nano-SiO 2 particles via charge attraction and hydrogen bonding and aggregate them into coralloid forms. The interactions also changed the secondary structures of the proteins and inhibited their static and dynamic activities. It may reasonably be deduced that exposure to nano-size silicon dioxide particles e.g. as drug carriers may have an unfavorable effect on human health by inactivating functional proteins.

  18. Structure and chemistry of the sorghum grain

    Science.gov (United States)

    Sorghum is grown around the world and often under harsh and variable environmental conditions. Combined with the high degree of genetic diversity present in sorghum, this can result in substantial variability in grain composition and grain quality. While similar to other cereal grains such as maize ...

  19. Influence of high-pressure torsion on formation/destruction of nano-sized spinodal structures

    Science.gov (United States)

    Alhamidi, Ali; Edalati, Kaveh; Horita, Zenji

    2018-04-01

    The microstructures and hardness of Al - 30 mol.% Zn are investigated after processing by high-pressure torsion (HPT) for different numbers of revolutions, N = 1, 3, 10 or 25, as well as after post-HPT annealing at different temperatures, T = 373 K, 473 K, 573 K and 673 K. It was found that a work softening occurs by decreasing the grain size to the submicrometer level and increasing the fraction of high-angle boundaries. As a result of HPT processing, a complete decomposition of supersaturated solid solution of Zn in Al occurs and the spinodal structure is destroyed. This suggests that softening of the Al-Zn alloys after HPT is due to the decomposition of the supersaturated solid solution and destruction of spinodal decomposition. After post-HPT annealing, ultrafine-grained Al-Zn alloys show an unusual mechanical properties and its hardness increased to 187 HV. Microstructural analysis showed that the high hardness after post-HPT annealing is due to the formation of spinodal structures.

  20. Conductivity of laser printed copper structures limited by nano-crystal grain size and amorphous metal droplet shell

    International Nuclear Information System (INIS)

    Winter, Shoshana; Zenou, Michael; Kotler, Zvi

    2016-01-01

    We present a study of the morphology and electrical properties of copper structures which are printed by laser induced forward transfer from bulk copper. The percentage of voids and the oxidation levels are too low to account for the high resistivities (∼4 to 14 times the resistivity of bulk monocrystalline copper) of these structures. Transmission electron microscope (TEM) images of slices cut from the printed areas using a focused ion beam (FIB) show nano-sized crystal structures with grain sizes that are smaller than the electron free path length. Scattering from such grain boundaries causes a significant increase in the resistivity and can explain the measured resistivities of the structures. The TEM images also show a nano-amorphous layer (∼5 nm) at the droplet boundaries which also contributes to the overall resistivity. Such morphological characteristics are best explained by the ultrafast cooling rate of the molten copper droplets during printing. (paper)

  1. Using Radiochromic Films to Characterize the Dispersion of ZrO{sub 2} Nano-sized Grain Clusters in Protective Polymer Composites

    Energy Technology Data Exchange (ETDEWEB)

    Fontainha, C.C.P.; Nolasco, A.V. [Depto. de Engenharia Nuclear - DEN / UFMG - MG, Av. Antonio Carlos 6627, 31270-970 Belo Horizonte, MG (Brazil); Santos, A.P.; Faria, L.O. [Centro de Desenvolvimento da Tecnologia Nuclear, Av. Antonio Carlos 6627, C.P. 941, 30270-901, Belo Horizonte, MG (Brazil)

    2015-07-01

    . This result is discussed in terms of the high Z halides added to the sensitive layer of EB3 film, once the main components are C (42.3%), H (39.7%) and O (16.0%)1-2. Based on the above results, we have speculated about the abilities of XR-AQ films in the detection of the distribution of nano-sized particles that has high mass-energy attenuation coefficients for low energy x-rays, in polymer composites. In another investigation we tested the ability of XR-QA2 Gafchromic{sup R} films to evaluate the dispersion of ZrO{sub 2} nano-sized grain clusters in protective composites. The P(VDFTrFE)/ ZrO{sub 2} film was sandwiched between two XR-QA2 radiochromic films. In this setup, one radiochromic film is directly exposed to 100 mGy of the x-rays beam and another one measures the attenuated beam. After storage for 24 hours at room temperature under no light conditions, the irradiated radiochromic films were scanned under the same conditions in order to obtain a more reliable result. All films were scanned using the same size ROI in high resolution mode and saved as tagged image file format (TIFF). The untreated scanned image of the XR-AQ2 film directed exposed to the X-ray beam and the correspondent treated image with digital filters are shown. The untreated and treated image of the XR-AQ2 film that was exposed to the attenuated x-ray beam is shown. The image treated with digital filters seems to reproduce the dispersion of ZrO{sub 2} nano-sized grain clusters in the P(VDF-TrFE) copolymer matrix. This result is also discussed in terms of the high Z halides added to the sensitive layer of XR-AQ2 film and compared to the MEV images obtained from the P(VDF-TrFE)/ZrO{sub 2} composites. The results indicate a clear correlation between the 2D radiochromic image and the MEV photography.

  2. Ultrafine grain structure processing in Al-Mg-Sc-Zr alloy under severe ABC forging at elevated temperature

    Science.gov (United States)

    Sitdikov, Oleg; Mukhametdinova, Oksana; Avtokratova, Elena; Garipova, Rasilya; Markushev, Michael

    2017-12-01

    The effect of multidirectional (abc) forging (MDF) to the strain of about 8.5 at 325°C (˜0.65Tm) and 10-2 s-1 on the grain refinement of a 1570C Al-Mg-Sc-Zr alloy was investigated. The cast and homogenized alloy had an equiaxed microstructure with the grain size of ˜25 µm and nearly uniform distribution of nanosized (˜5-10 nm in diameter) coherent dispersoids Al3(Sc, Zr). In the early MDF stages, new fine (sub)grains with low- and high-angle misorientations were preferably formed in grain interiors and near original grain boundaries, respectively. With increasing strain, the mean boundary misorientation gradually increased resulting in almost completely recrystallized structure with the grain size of ˜1.3 µm and the fraction of high-angle boundaries ˜0.85. The strain dependency of microstructural parameters suggested that grain refinement occurred via continuous dynamic recrystallization. The role of disperse phases in the structural alloy behavior is discussed.

  3. Data Pipeline Development for Grain Boundary Structures Classification

    OpenAIRE

    Li, Bingxi

    2017-01-01

    Grain Boundaries govern many properties of polycrystalline materials, including the vast majority of engineering materials. Evolutionary algorithm can be applied to predict the grain boundary structures in different systems. However, the recognition and classification of thousands of predicted structures is a very challenging work for eye detection in terms of efficiency and accuracy. A data pipeline is developed to accelerate the classification and recognition of grain boundary structures pr...

  4. Structural Transitions in Nanosized Zn0.97Al0.03O Powders under High Pressure Analyzed by in Situ Angle-Dispersive X-ray Diffraction

    Directory of Open Access Journals (Sweden)

    Chih-Ming Lin

    2016-07-01

    Full Text Available Nanosized aluminum-doped zinc oxide Zn1−xAlxO (AZO powders (AZO-NPs with x = 0.01, 0.03, 0.06, 0.09 and 0.11 were synthesized by chemical precipitation method. The thermogravimetric analysis (TGA indicated that the precursors were converted to oxides from hydroxides near 250 °C, which were then heated to 500 °C for subsequent thermal processes to obtain preliminary powders. The obtained preliminary powders were then calcined at 500 °C for three hours. The structure and morphology of the products were measured and characterized by angle-dispersive X-ray diffraction (ADXRD and scanning electron microscopy (SEM. ADXRD results showed that AZO-NPs with Al content less than 11% exhibited würtzite zinc oxide structure and there was no other impurity phase in the AZO-NPs, suggesting substitutional doping of Al on Zn sites. The Zn0.97Al0.03O powders (A3ZO-NPs with grain size of about 21.4 nm were used for high-pressure measurements. The in situ ADXRD measurements revealed that, for loading run, the pressure-induced würtzite (B4-to-rocksalt (B1 structural phase transition began at 9.0(1 GPa. Compared to the predicted phase-transition pressure of ~12.7 GPa for pristine ZnO nanocrystals of similar grain size (~21.4 nm, the transition pressure for the present A3ZO-NPs exhibited a reduction of ~3.7 GPa. The significant reduction in phase-transition pressure is attributed to the effects of highly selective site occupation, namely Zn2+ and Al3+, were mainly found in tetrahedral and octahedral sites, respectively.

  5. Cationic exchange in nanosized ZnFe2O4 spinel revealed by experimental and simulated near-edge absorption structure

    International Nuclear Information System (INIS)

    Stewart, S. J.; Figueroa, S. J. A.; Ramallo Lopez, J. M.; Requejo, F. G.; Marchetti, S. G.; Bengoa, J. F.; Prado, R. J.

    2007-01-01

    The nonequilibrium cation site occupancy in nanosized zinc ferrites (∼6-13 nm) with different degree of inversion (∼0.2 to 0.4) was investigated using Fe and Zn K-edge x-ray absorption near edge spectroscopy (XANES) and extended x-ray absorption fine structure, and magnetic measurements. The very good agreement between experimental and ab initio calculations on the Zn K-edge XANES region clearly shows the large Zn 2+ (A)→Zn 2+ [B] transference that takes place in addition to the well-identified Fe 3+ [B]→Fe 3+ (A) one, without altering the long-range structural order. XANES spectra features as a function of the spinel inversion were shown to depend on the configuration of the ligand shells surrounding the absorbing atom. This XANES approach provides a direct way to sense cationic inversion in these Zn-containing spinel ferrites. We also demonstrated that a mechanical crystallization takes place on nanocrystalline spinel that causes an increase of both grain and magnetic sizes and, simultaneously, generates a significant augment of the inversion

  6. Optical, structural and electrical properties of nanosized zinc oxide sintered films for photovoltaic applications

    Directory of Open Access Journals (Sweden)

    Kumar V.

    2013-01-01

    Full Text Available Zinc oxide films have been deposited on ultra-clean glass substrates by screenprinting method followed by sintering process. Optimum conditions for preparing good quality screen-printed films have been found. The optical band gap of the films has been studied using reflection spectra in wavelength range 325-600 nm by using double beam spectrophotometer. X-ray diffraction studies revealed that the films are polycrystalline in nature, single phase exhibiting wurtzite (hexagonal structure with strong preferential orientation of grains along the (101 direction. Surface morphology of films has been studied by scanning electron microscopy (SEM technique. The electrical resistivity of the films was measured in vacuum by two probe technique. PACS: 78.20.Ci; 78.50.Ge; 78.66.-w; 78.66.Hf.

  7. Structural and Spectroscopic Characterization of A Nanosized Sulfated TiO2 Filler and of Nanocomposite Nafion Membranes

    Directory of Open Access Journals (Sweden)

    Valentina Allodi

    2016-03-01

    Full Text Available A large number of nano-sized oxides have been studied in the literature as fillers for polymeric membranes, such as Nafion®. Superacidic sulfated oxides have been proposed and characterized. Once incorporated into polymer matrices, their beneficial effect on peculiar membrane properties has been demonstrated. The alteration of physical-chemical properties of composite membranes has roots in the intermolecular interaction between the inorganic filler surface groups and the polymer chains. In the attempt to tackle this fundamental issue, here we discuss, by a multi-technique approach, the properties of a nanosized sulfated titania material as a candidate filler for Nafion membranes. The results of a systematic study carried out by synchrotron X-ray diffraction, transmission electron microscopy, thermogravimetry, Raman and infrared spectroscopies are presented and discussed to get novel insights about the structural features, molecular properties, and morphological characteristics of sulphated TiO2 nanopowders and composite Nafion membranes containing different amount of sulfated TiO2 nanoparticles (2%, 5%, 7% w/w.

  8. Grain Structure Control of Additively Manufactured Metallic Materials

    Directory of Open Access Journals (Sweden)

    Fuyao Yan

    2017-11-01

    Full Text Available Grain structure control is challenging for metal additive manufacturing (AM. Grain structure optimization requires the control of grain morphology with grain size refinement, which can improve the mechanical properties of additive manufactured components. This work summarizes methods to promote fine equiaxed grains in both the additive manufacturing process and subsequent heat treatment. Influences of temperature gradient, solidification velocity and alloy composition on grain morphology are discussed. Equiaxed solidification is greatly promoted by introducing a high density of heterogeneous nucleation sites via powder rate control in the direct energy deposition (DED technique or powder surface treatment for powder-bed techniques. Grain growth/coarsening during post-processing heat treatment can be restricted by presence of nano-scale oxide particles formed in-situ during AM. Grain refinement of martensitic steels can also be achieved by cyclic austenitizing in post-processing heat treatment. Evidently, new alloy powder design is another sustainable method enhancing the capability of AM for high-performance components with desirable microstructures.

  9. Electronic and molecular structure of carbon grains

    Science.gov (United States)

    Almloef, Jan; Luethi, Hans-Peter

    1990-01-01

    Clusters of carbon atoms have been studied with large-scale ab initio calculations. Planar, single-sheet graphite fragments with 6 to 54 atoms were investigated, as well as the spherical C(sub 60) Buckminsterfullerene molecule. Polycyclic aromatic hydrocarbons (PAHs) have also been considered. Thermodynamic differences between diamond- and graphite-like grains have been studied in particular. Saturation of the peripheral bonds with hydrogen is found to provide a smooth and uniform convergence of the properties with increasing cluster size. For the graphite-like clusters the convergence to bulk values is much slower than for the three-dimensional complexes.

  10. A novel copper (II) complex containing a tetradentate Schiff base: Synthesis, spectroscopy, crystal structure, DFT study, biological activity and preparation of its nano-sized metal oxide

    Science.gov (United States)

    Tohidiyan, Zeinab; Sheikhshoaie, Iran; Khaleghi, Mouj; Mague, Joel T.

    2017-04-01

    A new nano-sized copper (II) complex, [Cu(L)] with a tetra dentate Schiff base ligand, 2-((E)-(2-(E-5- bromo-2-hydroxybezenylideneamino) methyl)-4-bromophenol [H2L] was prepared by the reaction between of Cu (CH3COO)2·2H2O and (H2L) ligand with the ratio of 1:1, at the present of triethylamine by sonochemical method. The structure of [Cu (L)] complex was determined by FT-IR, UV-Vis, FESEM and molar conductivity. The structure of [Cu (L)] complex was characterized by single crystal X-ray diffraction. The geometry of [Cu (L)] complex was optimized using density functional theory (DFT) method with the B3LYP/6-31(d) level of theory. The calculated bond lengths and bond angles are in good agreement with the X-ray data. This complex was used as a novel precursor for preparing of CuO nano particles by the thermal decomposition method. The antibacterial activities of [H2L] ligand, nano-sized [Cu (L)] complex and nano-sized CuO have been screened against various strains of bacteria. According to the results, nano-sized CuO can be considered as an appropriate antibiotic agent.

  11. Grain boundary engineering for structure materials of nuclear reactors

    Science.gov (United States)

    Tan, L.; Allen, T. R.; Busby, J. T.

    2013-10-01

    Grain boundary engineering (GBE), primarily implemented by thermomechanical processing, is an effective and economical method of enhancing the properties of polycrystalline materials. Among the factors affecting grain boundary character distribution, literature data showed definitive effect of grain size and texture. GBE is more effective for austenitic stainless steels and Ni-base alloys compared to other structural materials of nuclear reactors, such as refractory metals, ferritic and ferritic-martensitic steels, and Zr alloys. GBE has shown beneficial effects on improving the strength, creep strength, and resistance to stress corrosion cracking and oxidation of austenitic stainless steels and Ni-base alloys.

  12. Grain boundary engineering for structure materials of nuclear reactors

    International Nuclear Information System (INIS)

    Tan, L.; Allen, T.R.; Busby, J.T.

    2013-01-01

    Grain boundary engineering (GBE), primarily implemented by thermomechanical processing, is an effective and economical method of enhancing the properties of polycrystalline materials. Among the factors affecting grain boundary character distribution, literature data showed definitive effect of grain size and texture. GBE is more effective for austenitic stainless steels and Ni-base alloys compared to other structural materials of nuclear reactors, such as refractory metals, ferritic and ferritic–martensitic steels, and Zr alloys. GBE has shown beneficial effects on improving the strength, creep strength, and resistance to stress corrosion cracking and oxidation of austenitic stainless steels and Ni-base alloys

  13. Compression strength perpendicular to grain of structural timber and glulam

    DEFF Research Database (Denmark)

    Damkilde, Lars; Hoffmeyer, Preben; Pedersen, Torben N.

    1998-01-01

    . Nonetheless test results show that the levels of characteristic compression strength perpendicular to grain are of the same order for structural timber and glulam. The values are slightly lower than those appearing in EN 1194 and less than half of those appearing in EN 338. The paper presents a numerical......The characteristic strength values for compression perpendicular to grain as they appear in EN 338 (structural timber) and EN 1194 (glulam) are currently up for discussion. The present paper provides experimental results based on EN 1193 that may assist in the correct assignment of such strength...... values. The dominant failure mode of glulam specimens is shown to be fundamentally different from that of structural timber specimens. Glulam specimens often show tension perpendicular to grain failure before the compression strength value is reached. Such failure mode is not seen for structural timber...

  14. Nano-Sized Structurally Disordered Metal Oxide Composite Aerogels as High-Power Anodes in Hybrid Supercapacitors.

    Science.gov (United States)

    Huang, Haijian; Wang, Xing; Tervoort, Elena; Zeng, Guobo; Liu, Tian; Chen, Xi; Sologubenko, Alla; Niederberger, Markus

    2018-03-27

    A general method for preparing nano-sized metal oxide nanoparticles with highly disordered crystal structure and their processing into stable aqueous dispersions is presented. With these nanoparticles as building blocks, a series of nanoparticles@reduced graphene oxide (rGO) composite aerogels are fabricated and directly used as high-power anodes for lithium-ion hybrid supercapacitors (Li-HSCs). To clarify the effect of the degree of disorder, control samples of crystalline nanoparticles with similar particle size are prepared. The results indicate that the structurally disordered samples show a significantly enhanced electrochemical performance compared to the crystalline counterparts. In particular, structurally disordered Ni x Fe y O z @rGO delivers a capacity of 388 mAh g -1 at 5 A g -1 , which is 6 times that of the crystalline sample. Disordered Ni x Fe y O z @rGO is taken as an example to study the reasons for the enhanced performance. Compared with the crystalline sample, density functional theory calculations reveal a smaller volume expansion during Li + insertion for the structurally disordered Ni x Fe y O z nanoparticles, and they are found to exhibit larger pseudocapacitive effects. Combined with an activated carbon (AC) cathode, full-cell tests of the lithium-ion hybrid supercapacitors are performed, demonstrating that the structurally disordered metal oxide nanoparticles@rGO||AC hybrid systems deliver high energy and power densities within the voltage range of 1.0-4.0 V. These results indicate that structurally disordered nanomaterials might be interesting candidates for exploring high-power anodes for Li-HSCs.

  15. Nano-sized structured layered positive electrode materials to enable high energy density and high rate capability lithium batteries

    Science.gov (United States)

    Deng, Haixia; Belharouak, Ilias; Amine, Khalil

    2012-10-02

    Nano-sized structured dense and spherical layered positive active materials provide high energy density and high rate capability electrodes in lithium-ion batteries. Such materials are spherical second particles made from agglomerated primary particles that are Li.sub.1+.alpha.(Ni.sub.xCo.sub.yMn.sub.z).sub.1-tM.sub.tO.sub.2-dR.sub.d- , where M is selected from can be Al, Mg, Fe, Cu, Zn, Cr, Ag, Ca, Na, K, In, Ga, Ge, V, Mo, Nb, Si, Ti, Zr, or a mixture of any two or more thereof, R is selected from F, Cl, Br, I, H, S, N, or a mixture of any two or more thereof, and 0.ltoreq..alpha..ltoreq.0.50; 0

  16. Magnetic and thermodynamic properties of nanosized Zn ferrite with normal spinal structure synthesized using a facile method.

    Science.gov (United States)

    Zhang, Yunong; Shi, Quan; Schliesser, Jacob; Woodfield, Brian F; Nan, Zhaodong

    2014-10-06

    Normal spinel zinc ferrite (ZnFe2O4) nanoparticles (NPs) with zero net magnetization were synthesized by a facile coprecipitation method in which two kinds of organic alkali, namely, 1-amino-2-propanol (MIPA) and bis(2-hydroxypropyl)-amine (DIPA), were used. The diameters of the ZnFe2O4 NPs were determined to be about 7 and 9 nm for samples prepared with MIPA and DIPA, respectively, and the normal spinel structure was confirmed by the magnetic property measurement at room temperature and the temperature dependence of the direct current magnetization. These results are different from those reported in the literature, where ZnFe2O4 NPs show a nonzero net magnetization. The heat capacity of the ZnFe2O4 NPs synthesized using DIPA was measured using a physical property measurement system in the temperature range from 2 to 300 K, and the thermodynamic functions were calculated based on the curve fitting of the experimental heat capacity data. The heat capacity of the ZnFe2O4 NPs was compared with that of a nanosized (Zn(0.795)Fe(0.205))[Zn(0.205)Fe(1.795)]O4 material studied in the literature, indicating that the Debye temperature of the present sample is more comparable with that of the bulk ZnFe2O4 reported by Westrum et al.

  17. Structural study of nanosized yttrium-doped CaMnO3 perovskites

    Indian Academy of Sciences (India)

    Administrator

    Structural analysis was ca- rried out using Rietveld refinement and the program Full-. Prof (Rodriguez-Carvajal 1990). Refinement of the crystalline phases obtained under experimental conditions was performed in order to investigate the amount of yttrium incorporated in the structure and its influence on unit cell parameters ...

  18. Nonlinear screening of dust grains and structurization of dusty plasma

    Energy Technology Data Exchange (ETDEWEB)

    Tsytovich, V. N., E-mail: tsytov@lpi.ru; Gusein-zade, N. G. [Russian Academy of Sciences, Prokhorov General Physics Institute (Russian Federation)

    2013-07-15

    A review of theoretical ideas on the physics of structurization instability of a homogeneous dusty plasma, i.e., the formation of zones with elevated and depressed density of dust grains and their arrangement into different structures observed in laboratory plasma under microgravity conditions, is presented. Theoretical models of compact dust structures that can form in the nonlinear stage of structurization instability, as well as models of a system of voids (both surrounding a compact structure and formed in the center of the structure), are discussed. Two types of structures with very different dimensions are possible, namely, those smaller or larger than the characteristic mean free path of ions in the plasma flow. Both of them are characterized by relatively regular distributions of dust grains; however, the first ones usually require external confinement, while the structures of the second type can be self-sustained (which is of particular interest). In this review, they are called dust clusters and self-organized dust structures, respectively. Both types of the structures are characterized by new physical processes that take place only in the presence of the dust component. The role of nonlinearities in the screening of highly charged dust grains that are often observed in modern laboratory experiments turns out to be great, but these nonlinearities have not received adequate study as of yet. Although structurization takes place upon both linear and nonlinear screening, it can be substantially different under laboratory and astrophysical conditions. Studies on the nonlinear screening of large charges in plasma began several decades ago; however, up to now, this effect was usually disregarded when interpreting the processes occurring in laboratory dusty plasma. One of the aims of the present review was to demonstrate the possibility of describing the nonlinear screening of individual grains and take it into account with the help of the basic equations for the

  19. Computed Structure of Grain Boundaries Compared with TEM Observations

    NARCIS (Netherlands)

    Hosson, J.Th.M. De; Heringa, J.R.; Schapink, F.W.; Evans, J.H.; Veen, A. van

    1984-01-01

    Employing computer simulation techniques several studies of the relaxation of atoms in coincidence type grain boundaries have been performed in recent years. Often it is difficult to obtain a clear representation of the relaxed boundary structure, especially in the case of small atomic

  20. Structural study of nanosized yttrium-doped CaMnO3 perovskites

    Indian Academy of Sciences (India)

    Focus of this research was the structural stability of the yttrium-doped CaMnO3 perovskite phases, which crystallize in orthorhombic space group Pnma. We observed that the unit cell volumes of the investigated compounds increase proportionally with yttrium amount. Furthermore, we investigated the influence of yttrium ...

  1. Structural study of nanosized yttrium-doped CaMnO 3 perovskites

    Indian Academy of Sciences (India)

    Focus of this research was the structural stability of the yttrium-doped CaMnO3 perovskite phases, which crystallize in orthorhombic space group Pnma. We observed that the unit cell volumes of the investigated compounds increase proportionally with yttrium amount. Furthermore, we investigated the influence of yttrium ...

  2. PROTOPLANETARY DISK STRUCTURE WITH GRAIN EVOLUTION: THE ANDES MODEL

    International Nuclear Information System (INIS)

    Akimkin, V.; Wiebe, D.; Pavlyuchenkov, Ya.; Zhukovska, S.; Semenov, D.; Henning, Th.; Vasyunin, A.; Birnstiel, T.

    2013-01-01

    We present a self-consistent model of a protoplanetary disk: 'ANDES' ('AccretioN disk with Dust Evolution and Sedimentation'). ANDES is based on a flexible and extendable modular structure that includes (1) a 1+1D frequency-dependent continuum radiative transfer module, (2) a module to calculate the chemical evolution using an extended gas-grain network with UV/X-ray-driven processes and surface reactions, (3) a module to calculate the gas thermal energy balance, and (4) a 1+1D module that simulates dust grain evolution. For the first time, grain evolution and time-dependent molecular chemistry are included in a protoplanetary disk model. We find that grain growth and sedimentation of large grains onto the disk midplane lead to a dust-depleted atmosphere. Consequently, dust and gas temperatures become higher in the inner disk (R ∼ 50 AU), in comparison with the disk model with pristine dust. The response of disk chemical structure to the dust growth and sedimentation is twofold. First, due to higher transparency a partly UV-shielded molecular layer is shifted closer to the dense midplane. Second, the presence of big grains in the disk midplane delays the freeze-out of volatile gas-phase species such as CO there, while in adjacent upper layers the depletion is still effective. Molecular concentrations and thus column densities of many species are enhanced in the disk model with dust evolution, e.g., CO 2 , NH 2 CN, HNO, H 2 O, HCOOH, HCN, and CO. We also show that time-dependent chemistry is important for a proper description of gas thermal balance.

  3. Synthesis of Polyhydroxybutyrate Particles with Micro-to-Nanosized Structures and Application as Protective Coating for Packaging Papers.

    Science.gov (United States)

    Rastogi, Vibhore Kumar; Samyn, Pieter

    2016-12-30

    This study reports on the development of bio-based hydrophobic coatings for packaging papers through deposition of polyhydroxybutyrate (PHB) particles in combination with nanofibrillated cellulose (NFC) and plant wax. In the first approach, PHB particles in the micrometer range (PHB-MP) were prepared through a phase-separation technique providing internally-nanosized structures. The particles were transferred as a coating by dip-coating filter papers in the particle suspension, followed by sizing with a carnauba wax solution. This approach allowed partial to almost full surface coverage of PHB-MP over the paper surface, resulting in static water contact angles of 105°-122° and 129°-144° after additional wax coating. In the second approach, PHB particles with submicron sizes (PHB-SP) were synthesized by an oil-in-water emulsion (o/w) solvent evaporation method and mixed in aqueous suspensions with 0-7 wt % NFC. After dip-coating filter papers in PHB-SP/NFC suspensions and sizing with a carnauba wax solution, static water contact angles of 112°-152° were obtained. The intrinsic properties of the particles were analyzed by scanning electron microscopy, thermal analysis and infrared spectroscopy, indicating higher crystallinity for PHB-SP than PHB-MP. The chemical interactions between the more amorphous PHB-MP particles and paper fibers were identified as an esterification reaction, while the morphology of the NFC fibrillar network was playing a key role as the binding agent in the retention of more crystalline PHB-SP at the paper surface, hence contributing to higher hydrophobicity.

  4. Synthesis of Polyhydroxybutyrate Particles with Micro-to-Nanosized Structures and Application as Protective Coating for Packaging Papers

    Directory of Open Access Journals (Sweden)

    Vibhore Kumar Rastogi

    2016-12-01

    Full Text Available This study reports on the development of bio-based hydrophobic coatings for packaging papers through deposition of polyhydroxybutyrate (PHB particles in combination with nanofibrillated cellulose (NFC and plant wax. In the first approach, PHB particles in the micrometer range (PHB-MP were prepared through a phase-separation technique providing internally-nanosized structures. The particles were transferred as a coating by dip-coating filter papers in the particle suspension, followed by sizing with a carnauba wax solution. This approach allowed partial to almost full surface coverage of PHB-MP over the paper surface, resulting in static water contact angles of 105°–122° and 129°–144° after additional wax coating. In the second approach, PHB particles with submicron sizes (PHB-SP were synthesized by an oil-in-water emulsion (o/w solvent evaporation method and mixed in aqueous suspensions with 0–7 wt % NFC. After dip-coating filter papers in PHB-SP/NFC suspensions and sizing with a carnauba wax solution, static water contact angles of 112°–152° were obtained. The intrinsic properties of the particles were analyzed by scanning electron microscopy, thermal analysis and infrared spectroscopy, indicating higher crystallinity for PHB-SP than PHB-MP. The chemical interactions between the more amorphous PHB-MP particles and paper fibers were identified as an esterification reaction, while the morphology of the NFC fibrillar network was playing a key role as the binding agent in the retention of more crystalline PHB-SP at the paper surface, hence contributing to higher hydrophobicity.

  5. Synthesis of Polyhydroxybutyrate Particles with Micro-to-Nanosized Structures and Application as Protective Coating for Packaging Papers

    Science.gov (United States)

    Rastogi, Vibhore Kumar; Samyn, Pieter

    2016-01-01

    This study reports on the development of bio-based hydrophobic coatings for packaging papers through deposition of polyhydroxybutyrate (PHB) particles in combination with nanofibrillated cellulose (NFC) and plant wax. In the first approach, PHB particles in the micrometer range (PHB-MP) were prepared through a phase-separation technique providing internally-nanosized structures. The particles were transferred as a coating by dip-coating filter papers in the particle suspension, followed by sizing with a carnauba wax solution. This approach allowed partial to almost full surface coverage of PHB-MP over the paper surface, resulting in static water contact angles of 105°–122° and 129°–144° after additional wax coating. In the second approach, PHB particles with submicron sizes (PHB-SP) were synthesized by an oil-in-water emulsion (o/w) solvent evaporation method and mixed in aqueous suspensions with 0–7 wt % NFC. After dip-coating filter papers in PHB-SP/NFC suspensions and sizing with a carnauba wax solution, static water contact angles of 112°–152° were obtained. The intrinsic properties of the particles were analyzed by scanning electron microscopy, thermal analysis and infrared spectroscopy, indicating higher crystallinity for PHB-SP than PHB-MP. The chemical interactions between the more amorphous PHB-MP particles and paper fibers were identified as an esterification reaction, while the morphology of the NFC fibrillar network was playing a key role as the binding agent in the retention of more crystalline PHB-SP at the paper surface, hence contributing to higher hydrophobicity. PMID:28336839

  6. The relationship between grain boundary structure, defect mobility, and grain boundary sink efficiency

    Science.gov (United States)

    Uberuaga, Blas Pedro; Vernon, Louis J.; Martinez, Enrique; Voter, Arthur F.

    2015-01-01

    Nanocrystalline materials have received great attention due to their potential for improved functionality and have been proposed for extreme environments where the interfaces are expected to promote radiation tolerance. However, the precise role of the interfaces in modifying defect behavior is unclear. Using long-time simulations methods, we determine the mobility of defects and defect clusters at grain boundaries in Cu. We find that mobilities vary significantly with boundary structure and cluster size, with larger clusters exhibiting reduced mobility, and that interface sink efficiency depends on the kinetics of defects within the interface via the in-boundary annihilation rate of defects. Thus, sink efficiency is a strong function of defect mobility, which depends on boundary structure, a property that evolves with time. Further, defect mobility at boundaries can be slower than in the bulk, which has general implications for the properties of polycrystalline materials. Finally, we correlate defect energetics with the volumes of atomic sites at the boundary. PMID:25766999

  7. Data-driven coarse graining of large biomolecular structures.

    Science.gov (United States)

    Chen, Yi-Ling; Habeck, Michael

    2017-01-01

    Advances in experimental and computational techniques allow us to study the structure and dynamics of large biomolecular assemblies at increasingly higher resolution. However, with increasing structural detail it can be challenging to unravel the mechanism underlying the function of molecular machines. One reason is that atomistic simulations become computationally prohibitive. Moreover it is difficult to rationalize the functional mechanism of systems composed of tens of thousands to millions of atoms by following each atom's movements. Coarse graining (CG) allows us to understand biological structures from a hierarchical perspective and to gradually zoom into the adequate level of structural detail. This article introduces a Bayesian approach for coarse graining biomolecular structures. We develop a probabilistic model that aims to represent the shape of an experimental structure as a cloud of bead particles. The particles interact via a pairwise potential whose parameters are estimated along with the bead positions and the CG mapping between atoms and beads. Our model can also be applied to density maps obtained by cryo-electron microscopy. We illustrate our approach on various test systems.

  8. Algorithm for repairing the damaged images of grain structures obtained from the cellular automata and measurement of grain size

    Science.gov (United States)

    Ramírez-López, A.; Romero-Romo, M. A.; Muñoz-Negron, D.; López-Ramírez, S.; Escarela-Pérez, R.; Duran-Valencia, C.

    2012-10-01

    Computational models are developed to create grain structures using mathematical algorithms based on the chaos theory such as cellular automaton, geometrical models, fractals, and stochastic methods. Because of the chaotic nature of grain structures, some of the most popular routines are based on the Monte Carlo method, statistical distributions, and random walk methods, which can be easily programmed and included in nested loops. Nevertheless, grain structures are not well defined as the results of computational errors and numerical inconsistencies on mathematical methods. Due to the finite definition of numbers or the numerical restrictions during the simulation of solidification, damaged images appear on the screen. These images must be repaired to obtain a good measurement of grain geometrical properties. Some mathematical algorithms were developed to repair, measure, and characterize grain structures obtained from cellular automata in the present work. An appropriate measurement of grain size and the corrected identification of interfaces and length are very important topics in materials science because they are the representation and validation of mathematical models with real samples. As a result, the developed algorithms are tested and proved to be appropriate and efficient to eliminate the errors and characterize the grain structures.

  9. Evolution of orientations and deformation structures within individual grains in cold rolled columnar grained nickel

    International Nuclear Information System (INIS)

    Wu, G.L.; Godfrey, A.; Winther, G.; Juul Jensen, D.; Liu, Q.

    2011-01-01

    Columnar grained Ni is used as a model material allowing simultaneous non-surface investigations of the evolution of crystallographic orientations and deformation microstructures within individual grains as a function of rolling strain up to ε = 0.7. Electron channelling contrast and electron backscattered diffraction are used to visualise microstructures and crystallographic orientations. It is found that both the microstructural and the textural development depend strongly on the initial grain orientation. A grain size effect is observed on the deformation-induced orientation scatter within the grains. Large grains have microstructure and orientation scatters similar to those observed in single crystals of similar orientation. The observations are interpreted based on a slip system analysis, considering the relative effects of the initial grain orientation and the interaction between neighbouring grains as well.

  10. On the Use of Laguerre Tessellations for Representations of 3D Grain Structures

    DEFF Research Database (Denmark)

    Lyckegaard, Allan; Lauridsen, Erik Mejdal; Ludwig, Wolfgang

    2011-01-01

    Accurate descriptions of 3D grain structures in polycrystalline materials are of key interest as the grain structure is closely correlated to the macroscopic properties of the material. In the present study, we investigate the accuracy of using Laguerre tessellations to represent 3D grain...... structures from only the spatial center of mass location and the volume of the grains. The ability of Laguerre tessellations to describe accurate grain shapes and topologies of real 3D grain structures are revealed by direct comparison to 3D reconstructions of an un-deformed meta-stable β -titanium alloy...

  11. A simple and general route for the preparation of pure and high crystalline nanosized lanthanide silicates with the structure of apatite at low temperature

    International Nuclear Information System (INIS)

    Ferdov, Stanislav; Rauwel, Protima; Lin, Zhi; Ferreira, Rute A. Sa; Lopes, Augusto

    2010-01-01

    Rare earth silicates with the structure of apatite are attracting considerable interest since they show oxygen ion conductivities higher than that of yttria-stabilized zirconia (YSZ) at moderate temperature. Based on the hydrothermal synthesis we presented a simple one step process for the direct preparation of the pure and the high crystalline nanosized rare earth silicates with the structure of apatite under a mild condition (230 o C). Since the preparation of the high crystalline silicon based rare earth apatites is performed at high temperature previously and accompanied by subsequent process of grinding, results of this work provide a promising alternative of the existing methodology. Furthermore, due to the relatively low temperature of the preparation of these materials, high doping of monovalent cation can be done, which was not achieved before. -- Graphical abstract: A simple one step process for the preparation of the rare earth silicates with the structure of apatite under a mild condition (230 o C) is presented. The process is based on the hydrothermal synthesis and the obtained powder materials are pure, high crystalline and with nanosize. Display Omitted

  12. Coarse-grained modeling of RNA 3D structure.

    Science.gov (United States)

    Dawson, Wayne K; Maciejczyk, Maciej; Jankowska, Elzbieta J; Bujnicki, Janusz M

    2016-07-01

    Functional RNA molecules depend on three-dimensional (3D) structures to carry out their tasks within the cell. Understanding how these molecules interact to carry out their biological roles requires a detailed knowledge of RNA 3D structure and dynamics as well as thermodynamics, which strongly governs the folding of RNA and RNA-RNA interactions as well as a host of other interactions within the cellular environment. Experimental determination of these properties is difficult, and various computational methods have been developed to model the folding of RNA 3D structures and their interactions with other molecules. However, computational methods also have their limitations, especially when the biological effects demand computation of the dynamics beyond a few hundred nanoseconds. For the researcher confronted with such challenges, a more amenable approach is to resort to coarse-grained modeling to reduce the number of data points and computational demand to a more tractable size, while sacrificing as little critical information as possible. This review presents an introduction to the topic of coarse-grained modeling of RNA 3D structures and dynamics, covering both high- and low-resolution strategies. We discuss how physics-based approaches compare with knowledge based methods that rely on databases of information. In the course of this review, we discuss important aspects in the reasoning process behind building different models and the goals and pitfalls that can result. Copyright © 2016 The Authors. Published by Elsevier Inc. All rights reserved.

  13. Textural, structural, and morphological characterizations and catalytic activity of nanosized CeO(2)-MO(x) (M=Mg(2+), Al(3+), Si(4+)) mixed oxides for CO oxidation.

    Science.gov (United States)

    Yu, Qiang; Wu, Xiaoxia; Tang, Changjin; Qi, Lei; Liu, Bin; Gao, Fei; Sun, Keqin; Dong, Lin; Chen, Yi

    2011-02-01

    The present work focuses on the combination of ceria with another oxide of different ionic valences from period 3 (Mg(2+), Al(3+), and Si(4+)) using coprecipitation method, followed by calcination at 450 and 750°C, respectively. The textural, structural, morphological and redox properties of nanosized ceria-magnesia, ceria-alumina and ceria-silica mixed oxides have been investigated by means of N(2) physisorption, XRD, Raman, HRTEM, DRS, FT-IR, and H(2)-TPR technologies. XRD results of these mixed oxides reveal that only nanocrystalline ceria (ca. 3-6nm for the 450°C calcined samples) could be observed. The grain size of ceria increases with the increasing calcination temperature from 450 to 750°C due to sintering effect. The highest specific surface area is obtained at CeO(2)-Al(2)O(3) mixed oxides when calcination temperature reaches 750°C. Raman spectra display the cubic fluorite structure of ceria and the existence of oxygen vacancies, and displacement of oxygen ions from their normal lattice positions in the ceria-based mixed oxides. DRS measurements confirm that the smaller the grain size of the ceria, the higher indirect band gap energy. H(2)-TPR results suggest that the reductions of surface and bulk oxygen of ceria were predominant at low and high calcination temperature, respectively. Finally, CO oxidation were performed over these ceria-based mixed oxides, and the combination of CeO(2)-Al(2)O(3) exhibited highest activity irrespective of calcination temperature, which may due to excellent textural/structural properties, good homogeneity, and redox abilities. Copyright © 2010 Elsevier Inc. All rights reserved.

  14. The role of martensitic transformation on bimodal grain structure in ultrafine grained AISI 304L stainless steel

    Energy Technology Data Exchange (ETDEWEB)

    Sabooni, S., E-mail: s.sabooni@ma.iut.ac.ir [Department of Materials Engineering, Isfahan University of Technology, 84156-83111 Isfahan (Iran, Islamic Republic of); Karimzadeh, F.; Enayati, M.H. [Department of Materials Engineering, Isfahan University of Technology, 84156-83111 Isfahan (Iran, Islamic Republic of); Ngan, A.H.W. [Department of Mechanical Engineering, The University of Hong Kong, Pokfulam Road, Hong Kong (China)

    2015-06-11

    In the present study, metastable AISI 304L austenitic stainless steel samples were subjected to different cold rolling reductions from 70% to 93%, followed by annealing at 700 °C for 300 min to form ultrafine grained (UFG) austenite with different grain structures. Transmission electron microscopy (TEM) and nanoindentation were used to characterize the martensitic transformation, in order to relate it to the bimodal distribution of the austenite grain size after subsequent annealing. The results showed that the martensite morphology changed from lath type in the 60% rolled sample to a mixture of lath and dislocation-cell types in the higher rolling reductions. Calculation of the Gibbs free energy change during the reversion treatment showed that the reversion mechanism is shear controlled at the annealing temperature and so the morphology of the reverted austenite is completely dependent on the morphology of the deformation induced martensite. It was found that the austenite had a bimodal grain size distribution in the 80% rolled and annealed state and this is related to the existence of different types of martensite. Increasing the rolling reduction to 93% followed by annealing caused changing of the grain structure to a monomodal like structure, which was mostly covered with small grains of around 300 nm. The existence of bimodal austenite grain size in the 80% rolled and annealed 304L stainless steel led to the improvement of ductility while maintaining a high tensile strength in comparison with the 93% rolled and annealed sample.

  15. Structure and properties of nanosize NiFe2O4 prepared by template and precipitation methods

    Czech Academy of Sciences Publication Activity Database

    Ćosović, A.; Ćosović, B.; Žák, Tomáš; David, Bohumil; Talijan, N.

    2013-01-01

    Roč. 49, č. 3 (2013), s. 271-277 ISSN 1450-5339 R&D Projects: GA ČR(CZ) GAP108/11/1350; GA MŠk(CZ) ED1.1.00/02.0068 Institutional research plan: CEZ:AV0Z2041904 Institutional support: RVO:68081723 Keywords : nanosized NiFe2O4 * template method * precipitation route * microstructure * phase composition * magnetic properties Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.135, year: 2013

  16. Nanosize boride particles in heat-treated nickel base superalloys

    International Nuclear Information System (INIS)

    Zhang, H.R.; Ojo, O.A.; Chaturvedi, M.C.

    2008-01-01

    Grain boundary microconstituents in aged nickel-based superalloys were studied by transmission electron microscopy techniques. A nanosized M 5 B 3 boride phase, possibly formed by intergranular solute desegregation-induced precipitation, was positively identified. The presence of these intergranular nanoborides provides reasonable clarification of a previously reported reduction of grain boundary liquation temperature during the weld heat affected zone thermal cycle

  17. Membrane with Stable Nanosized Microstructure and Method for Producing same

    DEFF Research Database (Denmark)

    2010-01-01

    The present invention provides a membrane, comprising in this order a first catalyst layer, an electronically and ionically conducting layer having a nanosized microstructure, and a second catalyst layer, characterized in that the electronically and ionically conducting layer is formed from an el...... an electrolyte material, a grain growth inhibitor and/or grain boundary modifier, and a method for producing same....

  18. THE STRUCTURE, ORIGIN, AND EVOLUTION OF INTERSTELLAR HYDROCARBON GRAINS

    International Nuclear Information System (INIS)

    Chiar, J. E.; Ricca, A.; Tielens, A. G. G. M.; Adamson, A. J.

    2013-01-01

    Many materials have been considered for the carrier of the hydrocarbon absorption bands observed in the diffuse interstellar medium (ISM). In order to refine the model for ISM hydrocarbon grains, we analyze the observed aromatic (3.28, 6.2 μm) and aliphatic (3.4 μm) hydrocarbon absorption features in the diffuse ISM along the line of sight toward the Galactic center Quintuplet Cluster. Observationally, sp 2 bonds can be measured in astronomical spectra using the 6.2 μm CC aromatic stretch feature, whereas the 3.4 μm aliphatic feature can be used to quantify the fraction of sp 3 bonds. The fractional abundance of these components allows us to place the Galactic diffuse ISM hydrocarbons on a ternary phase diagram. We conclude that the Galactic hydrocarbon dust has, on average, a low H/C ratio and sp 3 content and is highly aromatic. We have placed the results of our analysis within the context of the evolution of carbon dust in the ISM. We argue that interstellar carbon dust consists of a large core of aromatic carbon surrounded by a thin mantle of hydrogenated amorphous carbon (a-C:H), a structure that is a natural consequence of the processing of stardust grains in the ISM.

  19. Size Effect on the Structural and Magnetic Properties of Nanosized Perovskite LaFeO3 Prepared by Different Methods

    Directory of Open Access Journals (Sweden)

    Nguyen Thi Thuy

    2012-01-01

    Full Text Available Nanosized LaFeO3 material was prepared by 3 methods: high energy milling, citrate gel, and coprecipitation. The X-ray diffraction (XRD, differential scanning calorimetry (DSC, and thermogravimetric analysis (TGA show that the orthorhombic LaFeO3 phase was well formed at a low sintering temperature of 500°C in the citrate-gel and co-precipitation methods. Scanning electron microscope (SEM and transmission electron microscope (TEM observations indicate that the particle size of the LaFeO3 powder varies from 10 nm to 50 nm depending on the preparation method. The magnetic properties through magnetization versus temperature M(T and magnetization verses magnetic field M(H characteristics show that the nano-LaFeO3 exhibits a weak ferromagnetic behavior in the room temperature, and the M(H curves are well fitted by Langevin functions.

  20. Non-Destructive Evaluation of Grain Structure Using Air-Coupled Ultrasonics

    Energy Technology Data Exchange (ETDEWEB)

    Belvin, A. D.; Burrell, R. K.; Cole, E.G.

    2009-08-01

    Cast material has a grain structure that is relatively non-uniform. There is a desire to evaluate the grain structure of this material non-destructively. Traditionally, grain size measurement is a destructive process involving the sectioning and metallographic imaging of the material. Generally, this is performed on a representative sample on a periodic basis. Sampling is inefficient and costly. Furthermore, the resulting data may not provide an accurate description of the entire part's average grain size or grain size variation. This project is designed to develop a non-destructive acoustic scanning technique, using Chirp waveforms, to quantify average grain size and grain size variation across the surface of a cast material. A Chirp is a signal in which the frequency increases or decreases over time (frequency modulation). As a Chirp passes through a material, the material's grains reduce the signal (attenuation) by absorbing the signal energy. Geophysics research has shown a direct correlation with Chirp wave attenuation and mean grain size in geological structures. The goal of this project is to demonstrate that Chirp waveform attenuation can be used to measure grain size and grain variation in cast metals (uranium and other materials of interest). An off-axis ultrasonic inspection technique using air-coupled ultrasonics has been developed to determine grain size in cast materials. The technique gives a uniform response across the volume of the component. This technique has been demonstrated to provide generalized trends of grain variation over the samples investigated.

  1. Imaging the Structure of Grains, Grain Boundaries, and Stacking Sequences in Single and Multi-Layer Graphene

    Science.gov (United States)

    Muller, David

    2012-02-01

    Graphene can be produced by chemical vapor deposition (CVD) on copper substrates on up to meter scales [1, 2], making their polycrystallinity [3,4] almost unavoidable. By combining aberration-corrected scanning transmission electron microscopy and dark-field transmission electron microscopy, we image graphene grains and grain boundaries across six orders of magnitude. Atomic-resolution images of graphene grain boundaries reveal that different grains can stitch together via pentagon-heptagon pairs. We use diffraction-filtered electron imaging to map the shape and orientation of several hundred grains and boundaries over fields of view of a hundred microns. Single, double and multilayer graphene can be differentiated, and the stacking sequence and relative abundance of sequences can be directly imaged. These images reveal an intricate patchwork of grains with structural details depending strongly on growth conditions. The imaging techniques enabled studies of the structure, properties, and control of graphene grains and grain boundaries [5]. [4pt] [1] X. Li et al., Science 324, 1312 (2009).[0pt] [2] S. Bae et al., Nature Nanotechnol. 5, 574 (2010).[0pt] [3] J. M. Wofford, et al., Nano Lett., (2010).[0pt] [4] P. Y. Huang, et al., Nature 469, 389--392 (2011); arXiv:1009.4714, (2010)[0pt] [5] In collaboration with Pinshane Y. Huang, C. S. Ruiz-Vargas, A. M. van der Zande, A. W. Tsen, L. Brown, R. Hovden, F. Ghahari, W. S. Whitney, M.P. Levendorf, J. W. Kevek, S. Garg, J. S. Alden, C. J. Hustedt, Y. Zhu, N. Petrone, J. Hone, J. Park, P. L. McEuen

  2. The use of positron spectroscopy for revealing the nanosized structures in liquid mixtures. Identification of n-propanol nanoagglomerates in aqueous solutions

    Science.gov (United States)

    Stepanov, P. S.; Byakov, V. M.; Zaluzhnyi, A. G.

    2014-04-01

    The potential of positron spectroscopy for identification of nanosized structures in liquid mixtures, which is a difficult problem that still remains a challenge in physical chemistry of liquids, was demonstrated. The water- n-propanol mixtures were chosen as an example. An analysis of the concentration dependences of the mean lifetime of ortho-positronium atoms in water- n-propanol binary mixtures and water-propanol mixtures containing CoCl2 (0.4 M) and Co(ClO4)2 (0.6 M) suggested that the water- n-propanol mixture with ˜0.1 to ˜0.4 mole fractions of propanol resembled an emulsion of alcohol nanodrops suspended in water.

  3. Effect of Ag-doping of nanosized FeAlO system on its structural, surface and catalytic properties

    Directory of Open Access Journals (Sweden)

    Laila I. Ali

    2016-11-01

    Full Text Available The effects of Ag2O-doping on the physicochemical, surface and catalytic properties of FeAlO system with various extents of Fe2O3 loading have been investigated. The dopant concentration was changed between 1.5 and 4.0 mol % Ag2O. Pure and variously doped solids were subjected to heat treatment at 400–800 °C. The techniques employed for characterization of catalysts were TG/DTG, XRD, N2-adsorption at −196 °C and the catalytic decomposition of H2O2 at 25–40 °C. The results obtained revealed that, the investigated catalysts consisted of nanosized γ-Al2O3 phase. The textural properties including SBET, porosity and St were modified by Ag2O-doping. The doping process with Ag-species improves the catalytic activity of FeAlO system. Increasing the precalcination temperature from 400 to 800 °C increases the catalytic activity of 3.5% AgFeAlO with 1.9-fold toward H2O2 decomposition at 30 °C. Furthermore, the maximum increase in the catalytic activity due to doping with 3.5 mol % Ag2O at 30 °C attained about 15.1-fold for the solids calcined at 800 °C.

  4. Structure in the interstellar polarization curve and the nature of the polarizing grains

    International Nuclear Information System (INIS)

    Wolstencroft, R.D.; Smith, R.J.

    1984-01-01

    At this workshop the emphasis is on divining the nature of the interstellar grains by using infrared spectral features as the principal diagnostic. Nevertheless other approaches are also contributing to an understanding of the grains and deserve some attention. This paper describes the structure recently found in the interstellar polarization curve, and discusses its relation to the structure seen in the extinction curve and the nature of the grains producing the spectral features. (author)

  5. Achieving Radiation Tolerance through Non-Equilibrium Grain Boundary Structures.

    Science.gov (United States)

    Vetterick, Gregory A; Gruber, Jacob; Suri, Pranav K; Baldwin, Jon K; Kirk, Marquis A; Baldo, Pete; Wang, Yong Q; Misra, Amit; Tucker, Garritt J; Taheri, Mitra L

    2017-09-25

    Many methods used to produce nanocrystalline (NC) materials leave behind non-equilibrium grain boundaries (GBs) containing excess free volume and higher energy than their equilibrium counterparts with identical 5 degrees of freedom. Since non-equilibrium GBs have increased amounts of both strain and free volume, these boundaries may act as more efficient sinks for the excess interstitials and vacancies produced in a material under irradiation as compared to equilibrium GBs. The relative sink strengths of equilibrium and non-equilibrium GBs were explored by comparing the behavior of annealed (equilibrium) and as-deposited (non-equilibrium) NC iron films on irradiation. These results were coupled with atomistic simulations to better reveal the underlying processes occurring on timescales too short to capture using in situ TEM. After irradiation, NC iron with non-equilibrium GBs contains both a smaller number density of defect clusters and a smaller average defect cluster size. Simulations showed that excess free volume contribute to a decreased survival rate of point defects in cascades occurring adjacent to the GB and that these boundaries undergo less dramatic changes in structure upon irradiation. These results suggest that non-equilibrium GBs act as more efficient sinks for defects and could be utilized to create more radiation tolerant materials in future.

  6. Grain boundary structure and solute segregation in titanium-doped sapphire bicrystals

    Energy Technology Data Exchange (ETDEWEB)

    Taylor, Seth Thomas [Univ. of California, Berkeley, CA (United States)

    2002-01-01

    Solute segregation to ceramic grain boundaries governs material processing and microstructure evolution, and can strongly influence material properties critical to engineering performance. Understanding the evolution and implications of grain boundary chemistry is a vital component in the greater effort to engineer ceramics with controlled microstructures. This study examines solute segregation to engineered grain boundaries in titanium-doped sapphire (Al2O3) bicrystals, and explores relationships between grain boundary structure and chemistry at the nanometer scale using spectroscopic and imaging techniques in the transmission electron microscope (TEM). Results demonstrate dramatic changes in solute segregation stemming from small fluctuations in grain boundary plane and structure. Titanium and silicon solute species exhibit strong tendencies to segregate to non-basal and basal grain boundary planes, respectively. Evidence suggests that grain boundary faceting occurs in low-angle twis t boundaries to accommodate nonequilibrium solute segregation related to slow specimen cooling rates, while faceting of tilt grain boundaries often occurs to expose special planes of the coincidence site lattice (CSL). Moreover, quantitative analysis of grain boundary chemistry indicates preferential segregation of charged defects to grain boundary dislocations. These results offer direct proof that static dislocations in ionic materials can assume a net charge, and emphasize the importance of interactions between charged point, line, and planar defects in ionic materials. Efforts to understand grain boundary chemistry in terms of space charge theory, elastic misfit and nonequilibrium segregation are discussed for the Al2O3 system.

  7. Grain boundary structure and solute segregation in titanium-doped sapphire bicrystals

    International Nuclear Information System (INIS)

    Taylor, Seth T.

    2002-01-01

    Solute segregation to ceramic grain boundaries governs material processing and microstructure evolution, and can strongly influence material properties critical to engineering performance. Understanding the evolution and implications of grain boundary chemistry is a vital component in the greater effort to engineer ceramics with controlled microstructures. This study examines solute segregation to engineered grain boundaries in titanium-doped sapphire (Al2O3) bicrystals, and explores relationships between grain boundary structure and chemistry at the nanometer scale using spectroscopic and imaging techniques in the transmission electron microscope (TEM). Results demonstrate dramatic changes in solute segregation stemming from small fluctuations in grain boundary plane and structure. Titanium and silicon solute species exhibit strong tendencies to segregate to non-basal and basal grain boundary planes, respectively. Evidence suggests that grain boundary faceting occurs in low-angle twis t boundaries to accommodate nonequilibrium solute segregation related to slow specimen cooling rates, while faceting of tilt grain boundaries often occurs to expose special planes of the coincidence site lattice (CSL). Moreover, quantitative analysis of grain boundary chemistry indicates preferential segregation of charged defects to grain boundary dislocations. These results offer direct proof that static dislocations in ionic materials can assume a net charge, and emphasize the importance of interactions between charged point, line, and planar defects in ionic materials. Efforts to understand grain boundary chemistry in terms of space charge theory, elastic misfit and nonequilibrium segregation are discussed for the Al2O3 system

  8. Effect of grain structure on Charpy impact behavior of copper.

    Science.gov (United States)

    Liang, Ningning; Zhao, Yonghao; Wang, Jingtao; Zhu, Yuntian

    2017-03-17

    Nanostructured (NS) and ultrafine-grained (UFG) materials have high strength and relatively low ductility. Their toughness has not been comprehensively investigated. Here we report the Charpy impact behavior and the corresponding microstructural evolutions in UFG Cu with equi-axed and elongated grains which were prepared by equal channel angular pressing (ECAP) for 2 and 16 passes at room temperature. It is found that their impact toughness (48 J/cm 2 ) is almost comparable to that of coarse grained (CG) Cu: 55 J/cm 2 . The high strain rate during the Charpy impact was found to enhance the strain hardening capability of the UFG Cu due to the suppression of dynamic dislocation recovery. The crack in the CG Cu was blunted by dislocation-slip mediated plastic deformation, while the cracks in the UFG Cu were formed at grain boundaries and triple junctions due to their limited plasticity. Near the crack surfaces the elongated grains in ECAP-2 sample were refined by recrystallization, while equi-axed grains in the ECAP-16 sample grew larger.

  9. The structure and composition of olivine grain boundaries: 40 years of studies, status and current developments

    Science.gov (United States)

    Marquardt, K.; Faul, U. H.

    2018-02-01

    Interfaces in rocks, especially grain boundaries in olivine dominated rocks, have been subject to about 40 years of studies. The grain boundary structure to property relation is fundamental to understand the diverging properties of polycrystalline samples compared to those of single crystals. The number of direct structural observations is small, i.e. in range of 100 micrographs, and the number of measurements of properties directly linked to structural observations is even smaller. Bulk aggregate properties, such as seismic attenuation, rheology and electrical conductivity, are sensitive to grain size, and seem to show influences by grain boundary character distributions. In this context we review previous studies on grain boundary structure and composition and plausible relations to bulk properties. The grain boundary geometry is described using five independent parameters; generally, their structural width ranges between 0.4-1.2 nm and the commonly used 1 nm seems a good approximation. This region of enhanced disorder is often enriched in elements that are incompatible in the perfect crystal lattice. The chemical composition of grain boundaries depends on the bulk rock composition. We determined the 5 parameter grain boundary character distribution (GBCD) for polycrystaline Fo_{90} and studied structure and chemistry at the nm-scale to extend previous measurements. We find that grain boundary planes close to perpendicular to the crystallographic c-direction dominate the grain boundary network. We conclude that linking grain boundary structure in its full geometric parameter space to variations of bulk rock properties is now possible by GBCD determination using EBSD mapping and statistical analyses.

  10. Structural and magnetic properties of nano-sized NiCuZn ferrites synthesized by co-precipitation method with ultrasound irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Harzali, Hassen, E-mail: harzali@mines-albi.fr [Laboratory of Applied Mineral Chemistry, Faculty of Sciences, University Tunis ElManar, Campus University, Farhat Hached El-Manar, 2092 Tunis (Tunisia); Saida, Fairouz; Marzouki, Arij; Megriche, Adel [Laboratory of Applied Mineral Chemistry, Faculty of Sciences, University Tunis ElManar, Campus University, Farhat Hached El-Manar, 2092 Tunis (Tunisia); Baillon, Fabien; Espitalier, Fabienne [Université de Toulouse, Mines Albi, CNRS, Centre RAPSODEE, Campus Jarlard, F-81013 Albi CT cedex 09 (France); Mgaidi, Arbi [Laboratory of Applied Mineral Chemistry, Faculty of Sciences, University Tunis ElManar, Campus University, Farhat Hached El-Manar, 2092 Tunis (Tunisia); Taibah University, Faculty of Sciences & art, Al Ula (Saudi Arabia)

    2016-12-01

    Sonochemically assisted co-precipitation has been used to prepare nano-sized Ni–Cu–Zn-ferrite powders. A suspension of constituent hydroxides was ultrasonically irradiated for various times at different temperatures with high intensity ultrasound radiation using a direct immersion titanium horn. Structural and magnetic properties were investigated using X-diffraction (XRD), FT-IR spectroscopy, transmission electron microscopy (TEM), Nitrogen adsorption at 77 K (BET) and Vibrating sample magnetometer (VSM). Preliminary experimental results relative to optimal parameters showed that reaction time t=2 h, temperature θ=90 °C and dissipated Power P{sub diss}=46.27 W. At these conditions, this work shows the formation of nanocrystalline single-phase structure with particle size 10–25 nm. Also, ours magnetic measurements proved that the sonochemistry method has a great influence on enhancing the magnetic properties of the ferrite. - Highlights: • Coprecipitation experiments were carried out with ultrasound. • The spinel ferrite NiCuZn was perfectly synthesized by ultrasound. • The saturation magnetization and crystals size are found to be correlated as the dissipated power was varied.

  11. Formation of chain structures in systems of charged grains interacting via isotropic pair potentials

    Energy Technology Data Exchange (ETDEWEB)

    Vaulina, O. S.; Lisina, I. I.; Koss, K. G., E-mail: Xeniya.Koss@gmail.com [Russian Academy of Sciences, Joint Institute for High Temperatures (Russian Federation)

    2013-05-15

    Conditions for the formation of chain structures of charged grains confined in the gravitational field by external electric fields are studied analytically and numerically. The relationships between the parameters of the pair interaction potential, the number of grains, and the electric field gradient in the trap are found. A criterion for the violation of stable equilibrium in a quasi-one-dimensional chain of grains and the formation of a new configuration in the system is proposed.

  12. Refinement of grain structure in 20 MnNiMo (SA508C) steel

    International Nuclear Information System (INIS)

    Sheng Zhongqi; Xiao Hong; Peng Feng; Zou Min

    1997-04-01

    The size of prior austenite grains and bainitic colonies of 20 MnNiMo (SA508C) steel (a reactor pressure vessel steel) after normal heat treatment is measured and its controlling factors are discussed. Results show that low aluminium content can induce serious mixed structure with fine and coarse grains in prior austenite. Fast cooling rate can promote refinement of bainitic colonies. Further refinement of grains can be obtained by inter-critical quenching. (5 figs., 1 tab.)

  13. Friction stir weld tools having fine grain structure

    Energy Technology Data Exchange (ETDEWEB)

    Grant, Glenn J.; Frye, John G.; Kim, Jin Yong; Lavender, Curt A.; Weil, Kenneth Scott

    2016-03-15

    Tools for friction stir welding can be made with fewer process steps, lower cost techniques, and/or lower cost ingredients than other state-of-the-art processes by utilizing improved compositions and processes of fabrication. Furthermore, the tools resulting from the improved compositions and processes of fabrication can exhibit better distribution and homogeneity of chemical constituents, greater strength, and/or increased durability. In one example, a friction stir weld tool includes tungsten and rhenium and is characterized by carbide and oxide dispersoids, by carbide particulates, and by grains that comprise a solid solution of the tungsten and rhenium. The grains do not exceed 10 micrometers in diameter.

  14. Structural elucidation and magnetic behavior evaluation of rare earth (La, Nd, Gd, Tb, Dy) doped BaCoNi-X hexagonal nano-sized ferrites

    Energy Technology Data Exchange (ETDEWEB)

    Majeed, Abdul, E-mail: abdulmajeed2276@gmail.com [Department of Physics, The Islamia University of Bahawalpur, Bahawalpur 63100 (Pakistan); Khan, Muhammad Azhar, E-mail: azhar.khan@iub.edu.pk [Department of Physics, The Islamia University of Bahawalpur, Bahawalpur 63100 (Pakistan); Raheem, Faseeh ur; Hussain, Altaf; Iqbal, F. [Department of Physics, The Islamia University of Bahawalpur, Bahawalpur 63100 (Pakistan); Murtaza, Ghulam [Centre for Advanced Studies in Physics, Government College University, Lahore 54000 (Pakistan); Akhtar, Majid Niaz [Department of Physics, COMSATS Institute of Information Technology, Lahore 54000 (Pakistan); Shakir, Imran [Deanship of Scientific Research, College of Engineering, King Saud University, PO Box 800, Riyadh 11421 (Saudi Arabia); Warsi, Muhammad Farooq [Department of Chemistry, The Islamia University of Bahawalpur, Bahawalpur 63100 (Pakistan)

    2016-06-15

    Rare-earth (RE=La{sup 3+}, Nd{sup 3+}, Gd{sup 3+}, Tb{sup 3+}, Dy{sup 3+}) doped Ba{sub 2}NiCoRE{sub x}Fe{sub 28−x}O{sub 46} (x=0.25) hexagonal ferrites were synthesized for the first time via micro-emulsion route, which is a fast chemistry route for obtaining nano-sized ferrite powders. These nanomaterials were investigated by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), as well as vibrating sample magnetometer (VSM). The XRD analysis exhibited that all the samples crystallized into single X-type hexagonal phase. The crystalline size calculated by Scherrer's formula was found in the range 7–19 nm. The variations in lattice parameters elucidated the incorporation of rare-earth cations in these nanomaterials. FTIR absorption spectra of these X-type ferrites were investigated in the wave number range 500–2400 cm{sup −1.} Each spectrum exhibited absorption bands in the low wave number range, thereby confirming the X-type hexagonal structure. The enhancement in the coercivity was observed with the doping of rare-earth cations. The saturation magnetization was lowered owing to the redistribution of rare-earth cations on the octahedral site (3b{sub VI}). The higher values of coercivity (664–926 Oe) of these nanomaterials suggest their use in longitudinal recording media. - Graphical abstract: Nano-sized rare-earth (RE=La{sup 3+}, Nd{sup 3+}, Gd{sup 3+}, Tb{sup 3+}, Dy{sup 3+}) doped Ba{sub 2}NiCoRE{sub x}Fe{sub 28−x}O{sub 46} (x=0.25) hexagonal ferrites were synthesized for the first time via micro-emulsion route and the crystallite size was found in the range 7–19 nm. The enhancement in the coercivity was observed with the doping of rare-earth cations. The higher values of coercivity (664–926 Oe) of these nanomaterials suggest their use in longitudinal recording media. - Highlights: • Micro-emulsion route was used to synthesize Ba{sub 2}NiCoRE{sub x}Fe{sub 28−x}O{sub 46} ferrites. • The crystallite size was found

  15. Effect of Different Nano-Sized Silica Sols as Supports on the Structure and Properties of Cu/SiO2 for Hydrogenation of Dimethyl Oxalate

    Directory of Open Access Journals (Sweden)

    Chuancai Zhang

    2017-02-01

    Full Text Available Cu/x-SiO2 catalysts with 4, 10, and 20 nm silica sols as supports was produced by ammonia evaporation method and characterized. Different nano-sized silica sols as supports significantly affected the structure and catalytic properties of the copper catalysts for ethylene glycol synthesis from dimethyl oxalate. Compared with Cu/20-SiO2 and Cu/4-SiO2 catalysts, the catalytic performance and stability of Cu/10-SiO2 catalyst were greatly enhanced. The Cu/10-SiO2 catalyst showed 99.9% conversion with 94% EG selectivity and a lifetime of over 3080 h if it is calculated by industrial weight liquid hourly space velocity (WLHSV of 0.5 h−1. The Cu/10-SiO2 catalyst has one of the longest lifetimes among the catalysts and is a good alternative catalyst for this reaction. Improvement in the catalytic performance and stability of Cu/10-SiO2 is attributed to the proper SBET, Dp and larger dispersion of copper. In addition, the supports of Cu/10-SiO2 catalyst have smaller particles than that of Cu/20-SiO2; thus, the migration and growth of copper species in catalysts are restrained during the reaction.

  16. Stability of ultrafine-grained structure of copper under fatigue loading

    Czech Academy of Sciences Publication Activity Database

    Kunz, Ludvík; Lukáš, Petr; Pantělejev, L.; Man, O.

    2011-01-01

    Roč. 10, - (2011), s. 201-206 E-ISSN 1877-7058 R&D Projects: GA ČR GAP108/10/2001 Institutional research plan: CEZ:AV0Z20410507 Keywords : fatigue of ultrafine-grained Cu * stability of ultrafine-grained structure * cyclic slip bands * shear bands Subject RIV: JL - Materials Fatigue, Friction Mechanics

  17. Synthesis of beta carbon nitride nanosized crystal through mechanochemical reaction

    CERN Document Server

    Yin Long Wei; Liu Yu Xian; Sui Jin Ling; Wang Jing Min

    2003-01-01

    Nanosized beta carbon nitride (beta-C sub 3 N sub 4), of grain size several tens of nanometres, has been synthesized by mechanochemical reaction processing. The low-cost synthetic method developed facilitates the novel and effective synthesis of nanosized crystalline beta-C sub 3 N sub 4 (a = 6.36 A, c = 4.648 A) powders. The graphite powders were first milled to a nanoscale state, then the nanosized graphite powders were milled in an atmosphere of NH sub 3 gas. It was found that nanosized beta-C sub 3 N sub 4 was formed after high-energy ball milling under an NH sub 3 atmosphere. After thermal annealing, the shape of the beta-C sub 3 N sub 4 changes from flake-like to sphere-like. The nanosized beta-C sub 3 N sub 4 formed was characterized by x-ray diffraction, Fourier transformation infrared spectroscopy, and transmission electron microscopy. A solid-gas reaction mechanism was proposed for the formation of nanosized beta-C sub 3 N sub 4 at room temperature induced by mechanochemical activation.

  18. Structure and transport at grain boundaries in polycrystalline olivine: An atomic-scale perspective

    Science.gov (United States)

    Mantisi, Boris; Sator, Nicolas; Guillot, Bertrand

    2017-12-01

    Structure and transport properties at grain boundaries in polycrystalline olivine have been investigated at the atomic scale by molecular dynamics simulation (MD) using an empirical ionocovalent interaction potential. On the time scale of the simulation (a few tens of nanoseconds for a system size of ∼650,000 atoms) grain boundaries and grain interior were identified by mapping the atomic displacements along the simulation run. In the investigated temperature range (1300-1700 K) the mean thickness of the grain boundary phase is evaluated between 0.5 and 2 nm, a value which depends on temperature and grain size. The structure of the grain boundary phase is found to be disordered (amorphous-like) and is different from the one exhibited by the supercooled liquid. The self-diffusion coefficients of major elements in the intergranular region range from ∼10-13 to 10-10 m2/s between 1300 and 1700 K (with DSigb viscosity has been evaluated from the Green-Kubo relation expressing the viscosity as function of the stress tensor time correlation function. In spite of a slow convergence of the calculation by MD, the grain boundary viscosity was estimated about ∼105 Pa s at 1500 K, a value in agreement with high-temperature viscoelastic relaxation data. An interesting information gained from MD is that sliding at grain boundaries is essentially controlled by the internal friction between the intergranular phase and the grain edges.

  19. Influence of transport mechanisms on nucleation and grain structure formation in DC cast aluminium alloy ingots

    Science.gov (United States)

    Bedel, M.; Založnik, M.; Kumar, A.; Combeau, H.; Jarry, P.; Waz, E.

    2012-01-01

    The grain structure formation in direct chill (DC) casting is directly linked to nucleation, which is generally promoted by inoculation. Inoculation prevents defects, but also modifies the physical properties by changing the microstructure. We studied the coupling of the nucleation on inoculant particles and the grain growth in the presence of melt flow induced by thermosolutal convection and of the transport of free-floating equiaxed grains. We used a volume-averaged two-phase multiscale model with a fully coupled description of phenomena on the grain scale (nucleation on grain refiner particles and grain growth) and on the product scale (macroscopic transport). The transport of inoculant particles is also modeled, which accounts for the inhomogeneous distribution of inoculant particles in the melt. The model was applied to an industrial sized (350mm thick) DC cast aluminium alloy ingot. A discretised nuclei size distribution was defined and the impact of different macroscopic phenomena on the grain structure formation was studied: the zone and intensity of nucleation and the resulting grain size distribution. It is shown that nucleation in the presence of macroscopic transport cannot be explained only in terms of cooling rate, but variations of composition, nuclei density and grain density, all affected by transport, must be accounted for.

  20. Influence of modes of metal transfer on grain structure and direction of grain growth in low nickel austenitic stainless steel weld metals

    International Nuclear Information System (INIS)

    Mukherjee, Manidipto; Saha, Saptarshi; Pal, Tapan Kumar; Kanjilal, Prasanta

    2015-01-01

    The present study elaborately discussed the effect of different modes of metal transfer (i.e., short circuit mode, spray mode and pulse mode) on grain structure and direction of grain growth in low nickel austenitic stainless steel weld metals. Electron backscattered diffraction (EBSD) analysis was used to study the grain growth direction and grain structure in weld metals. The changes in grain structure and grain growth direction were found to be essentially varied with the weld pool shape and acting forces induced by modes of metal transfer at a constant welding speed. Short circuit mode of metal transfer owing to higher Marangoni force (M a ) and low electromagnetic force (R m ) promotes the lower weld pool volume (Γ) and higher weld pool maximum radius (r m ). Short circuit mode also shows curved and tapered columnar grain structures and the grain growth preferentially occurred in <001> direction. In contrast, spray mode of metal transfer increases the Γ and reduces the r m values due to very high R m and typically reveals straight and broad columnar grain structures with preferential growth direction in <111>. In the pulse mode of metal transfer relatively high M a and R m simultaneously increase the weld pool width and the primary penetration which might encourage relatively complex grain growth directions in the weld pool and cause a shift of major intensity from <001> to <111> direction. It can also be concluded that the fusion zone grain structure and direction of grain growth are solely dependent on modes of metal transfer and remain constant for a particular mode of metal transfer irrespective of filler wire used. - Highlights: • Welded joints of LNiASS were prepared by varying modes of metal transfer. • Weld pool shape, grain structure and grain growth direction were studied. • Short circuit mode shows curved and tapered grain growth in <001> direction. • Spray mode shows straight and broad columnar grain growth in <111> direction. • Pulse

  1. Grain boundaries of nanocrystalline materials - their widths, compositions, and internal structures

    International Nuclear Information System (INIS)

    Fultz, B.; Frase, H.N.

    2000-01-01

    Nanocrystalline materials contain many atoms at and near grain boundaries. Sufficient numbers of Moessbauer probe atoms can be situated in grain boundary environments to make a clear contribution to the measured Moessbauer spectrum. Three types of measurements on nanocrystalline materials are reported here, all using Moessbauer spectrometry in conjunction with X-ray diffractometry, transmission electron microscopy, or small angle neutron scattering. By measuring the fraction of atoms contributing to the grain boundary component in a Moessbauer spectrum, and by knowing the grain size of the material, it is possible to deduce the average width of grain boundaries in metallic alloys. It is found that these widths are approximately 0.5 nm for fcc alloys and slightly larger than 1.0 nm for bcc alloys.Chemical segregation to grain boundaries can be measured by Moessbauer spectrometry, especially in conjunction with small angle neutron scattering. Such measurements on Fe-Cu and Fe 3 Si-Nb were used to study how nanocrystalline materials could be stabilized against grain growth by the segregation of Cu and Nb to grain boundaries. The segregation of Cu to grain boundaries did not stabilize the Fe-Cu alloys against grain growth, since the grain boundaries were found to widen and accept more Cu atoms during annealing. The Nb additions to Fe 3 Si did suppress grain growth, perhaps because of the low mobility of Nb atoms, but also perhaps because Nb atoms altered the chemical ordering in the alloy.The internal structure of grain boundaries in nanocrystalline materials prepared by high-energy ball milling is found to be unstable against internal relaxations at low temperatures. The Moessbauer spectra of the nanocrystalline samples showed changes in the hyperfine fields attributable to movements of grain boundary atoms. In conjunction with SANS measurements, the changes in grain boundary structure induced by cryogenic exposure and annealing at low temperature were found to be

  2. Method of making quasi-grain boundary-free polycrystalline solar cell structure and solar cell structure obtained thereby

    Science.gov (United States)

    Gonzalez, Franklin N.; Neugroschel, Arnost

    1984-02-14

    A new solar cell structure is provided which will increase the efficiency of polycrystalline solar cells by suppressing or completely eliminating the recombination losses due to the presence of grain boundaries. This is achieved by avoiding the formation of the p-n junction (or other types of junctions) in the grain boundaries and by eliminating the grain boundaries from the active area of the cell. This basic concept can be applied to any polycrystalline material; however, it will be most beneficial for cost-effective materials having small grains, including thin film materials.

  3. NANOSIZE STRUCTURE OF SELF-ASSEMBLY SODIUM DODECYL SULFATE: A STUDY BY SMALL ANGLE NEUTRON SCATTERING (SANS

    Directory of Open Access Journals (Sweden)

    Edy Giri Rachman Putra

    2010-06-01

    Full Text Available Small Angle Neutron Scattering (SANS investigation on the self-assembly sodium dodecyl sulfate (SDS molecules as a function of concentration and additives has been carried out. SANS spectrometer which has been completely installed at the neutron scattering laboratory (NSL BATAN in Serpong, Indonesia has played most important role to determine the growth (size and also the shapes of a micelle structure. In this works we report that spherical micelle structure with a radius of 16.7 Å will transform to ellipsoidal or rod-like micelle structure with the long axis extends up to 50 Å by increasing the concentration of SDS. Similar to that the micelle structures change by addition of salt in SDS micellar solutions.   Keywords: nanostructure, micelle, self-assembly

  4. The Precession Technique in Electron Diffraction and Its Application to Structure Determination of Nano-Size Precipitates in Alloys

    Science.gov (United States)

    Gjønnes, J.; Hansen, V.; Kverneland, A.

    2004-02-01

    Crystal structure of nano-scale precipitates in age-hardening aluminum alloys is a challenge to crystallography. The utility of selected area electron diffraction intensities from embedded precipitates is limited by double scattering via matrix reflections. This effect can be signally reduced by the precession technique, which we have used to collect extensive intensity data from the semicoherent, metastable [eta][prime prime or minute]-precipitate in the Al-Zn-Mg alloy system. A structure model in the space group P-62c is proposed from high-resolution microscopy and electron diffraction intensities. The advantages of using the precession technique for quantitative electron diffraction is discussed.

  5. Phase field modeling of grain structure evolution during directional solidification of multi-crystalline silicon sheet

    Science.gov (United States)

    Lin, H. K.; Lan, C. W.

    2017-10-01

    Evolution of grain structures and grain boundaries (GBs), especially the coincident site lattice GBs, during directional solidification of multi-crystalline silicon sheet are simulated by using a phase field model for the first time. Since the coincident site lattice GBs having lower mobility, tend to follow their own crystallographic directions despite thermal gradients, the anisotropic energy and mobility of GBs are considered in the model. Three basic interactions of GBs during solidification are examined and they are consistent with experiments. The twinning process for new grain formation is further added in the simulation by considering twin nucleation. The effect of initial distribution of GB types and grain orientations is also investigated for the twinning frequency and the evolution of grain size and GB types.

  6. Grain structure and solidification cracking in oscillated arc welds of 5052 aluminum alloy

    Science.gov (United States)

    Kou, S.; Le, Y.

    1985-07-01

    The effect of arc oscillation on grain structure and solidification cracking in GTA welds of 5052 aluminum alloy was investigated using a four-pole magnetic arc oscillator and a modified fish-bone crack test. Two different mechanisms of crack reduction were identified: one in the low frequency range of arc oscillation and the other in the high frequency range. The former was the alteration of the orientation of columnar grains, while the latter was grain refining. Neither mechanism was operative in the intermediate frequency range and solidification cracking was severe, especially when the amplitude of arc oscillation was small. Alteration of grain orientation was obtained in welds made with transverse and circular arc oscillations, but not longitudinal arc oscillation. Grain refining, on the other hand, was achieved in welds made with all three types of arc oscillation patterns. The differences between the response of alloy 5052 to arc oscillation and that of alloy 2014 observed previously were discussed.

  7. Determination of the threshold of nanoparticle behavior: Structural and electronic properties study of nano-sized copper

    International Nuclear Information System (INIS)

    Torres-Vega, Juan J.; Medrano, L.R.; Landauro, C.V.; Rojas-Tapia, J.

    2014-01-01

    In the present work we determine the threshold of the nanoparticle behavior of copper nanoparticles by studying their structural and electronic properties. The studied nanoparticles contain from 13 to 8217 atoms and were obtained by molecular dynamics simulations using the Johnson potential for copper based on the embedded atom method. The results indicate that for small copper nanoparticles ( 2000atoms, ∼3.5 nm), with spherical-like external shape and large percentage of fcc-like local structure, this effect is negligible and their electronic character are similar to such expected in solid copper. Finally, it has also been shown that copper nanoparticles change their electronic character, from metallic to insulating, after increasing the strength of the chemical disorder

  8. Structure and grain coarsening during the processing of engineering ceramics

    International Nuclear Information System (INIS)

    Shaw, N.J.

    1987-11-01

    Studies have been made of three ceramic systems (Al 2 O 3 , Y 2 O 3 /MgO, and SiC/C/B), both to explore a surface area/density diagram approach to examining the coarsening processes during sintering and to explore an alternative coarsening parameter, i.e., the grain boundary surface area (raising it at a given value of the density) and not the pore surface area; therefore, pinning of the grain boundaries by solid-solution drag is the only function evidenced by these results. The importance of such pinning even at densities as low as 75% of theoretical is linked to the existence of microstructural inhomogeneities. The early stages of sintering of Y 2 O 3 powder have been examined using two techniques, BET surface area analysis and transmission electron microscopy. Each has given some insight into the process occurring and, used together, have provided some indication of the effect of MgO on coarsening during sintering. Attempts to further elucidate effects of MgO on the coarsening behavior of Y 2 O 3 by the surface area/density diagram approach were unsuccessful due to masking effects of contaminating reactions during sintering and/or thermal etching. The behavior of the undoped SiC which only coarsens can be clearly distinguished by the surface area/density diagram from that of SiC/C/B which also concurrently densifies. Little additional information was obtainable by this method due to unfavorable sample etching characteristics. The advantages, disadvantages, and difficulties of application of these techniques to the study of coarsening during sintering are discussed

  9. Structural, magnetic and gas sensing properties of nanosized copper ferrite powder synthesized by sol gel combustion technique

    Energy Technology Data Exchange (ETDEWEB)

    Sumangala, T.P.; Mahender, C. [Department of Metallurgical Engineering and Materials Science, Indian Institute of Technology Bombay, Powai, Mumbai 400076 (India); Barnabe, A. [Université de Toulouse, Institut Carnot CIRIMAT – UMR CNRS-UPS-INP 5085, Université Paul Sabatier, Toulouse 31062 (France); Venkataramani, N. [Department of Metallurgical Engineering and Materials Science, Indian Institute of Technology Bombay, Powai, Mumbai 400076 (India); Prasad, Shiva, E-mail: shiva.pd@gmail.com [Department of Physics, Indian Institute of Technology Bombay, Powai, Mumbai 400076 (India)

    2016-11-15

    Stoichiometric nano sized copper ferrite particles were synthesized by sol gel combustion technique. They were then calcined at various temperatures ranging from 300–800 °C and were either furnace cooled or quenched in liquid nitrogen. A high magnetisation value of 48.2 emu/g signifying the cubic phase of copper ferrite, was obtained for sample quenched to liquid nitrogen temperature from 800 °C. The ethanol sensing response of the samples was studied and a maximum of 86% response was obtained for 500 ppm ethanol in the case of a furnace cooled sample calcined at 800 °C. The chemical sensing is seen to be correlated with the c/a ratio and is best in the case of tetragonal copper ferrite. - Highlights: • One of the first study on ethanol sensing of cubic copper ferrite. • In-situ High temperature XRD done shows phase transition from cubic to tetragonal. • A non-monotonic increase in magnetization was seen with calcination temperature. • A response of 86% was obtained towards 500 ppm ethanol. • Tried to correlate sensing response and ion content in spinel structure.

  10. Development of scanning μ-RHEED microscope and imaging of polycrystal grain structure for VLSI technology

    International Nuclear Information System (INIS)

    Tsubouchi, Kazuo; Masu, Kazuya; Tanaka, Masanori

    1990-01-01

    A new type of scanning μ-RHEED (reflection high energy electron diffraction) microscope has been developed. Scanning μ-RHEED images are observed using the intensities of the specific diffraction spots in the RHEED pattern. We can observe the grain boundaries and determine the crystallographic orientation of each grain in poly Si and Cu thin films. Our scanning μ-RHEED microscope is suitable for evaluation of micrograin structure in VLSI materials. (author)

  11. Fine structure of Tibetan kefir grains and their yeast distribution, diversity, and shift.

    Directory of Open Access Journals (Sweden)

    Man Lu

    Full Text Available Tibetan kefir grains (TKGs, a kind of natural starter for fermented milk in Tibet, China, host various microorganisms of lactic acid bacteria, yeasts, and occasionally acetic acid bacteria in a polysaccharide/protein matrix. In the present study, the fine structure of TKGs was studied to shed light on this unusual symbiosis with stereomicroscopy and thin sections. The results reveal that TKGs consist of numerous small grain units, which are characterized by a hollow globular structure with a diameter between 2.0 and 9.0 mm and a wall thickness of approximately 200 µm. A polyhedron-like net structure, formed mainly by the bacteria, was observed in the wall of the grain units, which has not been reported previously to our knowledge. Towards the inside of the grain unit, the polyhedron-like net structures became gradually larger in diameter and fewer in number. Such fine structures may play a crucial role in the stability of the grains. Subsequently, the distribution, diversity, and shift of yeasts in TKGs were investigated based on thin section, scanning electron microscopy, cloning and sequencing of D1/D2 of the 26S rRNA gene, real-time quantitative PCR, and in situ hybridization with specific fluorescence-labeled oligonucleotide probes. These show that (i yeasts appear to localize on the outer surface of the grains and grow normally together to form colonies embedded in the bacterial community; (ii the diversity of yeasts is relatively low on genus level with three dominant species--Saccharomyces cerevisiae, Kluyveromyces marxianus, and Yarrowia lipolytica; (iii S. cerevisiae is the stable predominant yeast species, while the composition of Kluyveromyces and Yarrowia are subject to change over time. Our results indicate that TKGs are relatively stable in structure, and culture conditions to some extent shape the microbial community and interaction in kefir grains. These findings pave the way for further study of the specific symbiotic

  12. Fine Structure of Tibetan Kefir Grains and Their Yeast Distribution, Diversity, and Shift

    Science.gov (United States)

    Lu, Man; Wang, Xingxing; Sun, Guowei; Qin, Bing; Xiao, Jinzhou; Yan, Shuling; Pan, Yingjie; Wang, Yongjie

    2014-01-01

    Tibetan kefir grains (TKGs), a kind of natural starter for fermented milk in Tibet, China, host various microorganisms of lactic acid bacteria, yeasts, and occasionally acetic acid bacteria in a polysaccharide/protein matrix. In the present study, the fine structure of TKGs was studied to shed light on this unusual symbiosis with stereomicroscopy and thin sections. The results reveal that TKGs consist of numerous small grain units, which are characterized by a hollow globular structure with a diameter between 2.0 and 9.0 mm and a wall thickness of approximately 200 µm. A polyhedron-like net structure, formed mainly by the bacteria, was observed in the wall of the grain units, which has not been reported previously to our knowledge. Towards the inside of the grain unit, the polyhedron-like net structures became gradually larger in diameter and fewer in number. Such fine structures may play a crucial role in the stability of the grains. Subsequently, the distribution, diversity, and shift of yeasts in TKGs were investigated based on thin section, scanning electron microscopy, cloning and sequencing of D1/D2 of the 26S rRNA gene, real-time quantitative PCR, and in situ hybridization with specific fluorescence-labeled oligonucleotide probes. These show that (i) yeasts appear to localize on the outer surface of the grains and grow normally together to form colonies embedded in the bacterial community; (ii) the diversity of yeasts is relatively low on genus level with three dominant species – Saccharomyces cerevisiae, Kluyveromyces marxianus, and Yarrowia lipolytica; (iii) S. cerevisiae is the stable predominant yeast species, while the composition of Kluyveromyces and Yarrowia are subject to change over time. Our results indicate that TKGs are relatively stable in structure, and culture conditions to some extent shape the microbial community and interaction in kefir grains. These findings pave the way for further study of the specific symbiotic associations between S

  13. Subgroup report on grain boundary and interphase boundary structure and properties

    International Nuclear Information System (INIS)

    Balluffi, R.W.; Cannon, R.M.; Clarke, D.R.; Heuer, A.H.; Ho, P.S.; Kear, B.H.; Vitek, V.; Weertman, J.R.; White, C.L.

    1979-01-01

    In many high temperature structural applications, the performance characteristics of a materials system are largely controlled by the properties of its grain and interphase boundaries. Failure in creep and fatigue frequently occurs by cavitation, or cracking along grain boundaries. In a few special cases, this failure problem has been overcome by directional alignment of grain and interphase boundaries by various types of metallurgical processing such as directional solidification and directional recrystallization. A good example is to be found in the application of directionally aligned structures in high performance gas-turbine airfoils. However, where fine, equiaxed grain structures are desirable, other methods of controlling grain boundary properties have been developed. Important among these has been the introduction of improvements in primary melting practices, designed to control important impurities. This is of decisive importance because even traces of certain impurity elements present in grain boundaries in high temperature materials can seriously affect properties. Impurities are deleterious and need to be removed. However, in certain cases, (e.g., creep fracture) controlled impurity additions can be beneficial and result in improved properties

  14. The influence of the grain boundary structure on diffusional creep

    International Nuclear Information System (INIS)

    Thorsen, P.A.

    1998-05-01

    An experiment was carried out to quantify the deformation in the diffusional creep domain. It was found that material had indisputably been deposited at grain boundaries in tension. A characterisation of 131 boundaries in terms of their misorientation was carried out and this was correlated to the observed deformation. Twin boundaries below a certain limit of deviation from an exact twin misorientation were totally inactive in the deformation. A large qualitative difference was found in the way general boundaries take part in the deformation. The experiments have taken place at Materials Research Department, Risoe National Laboratory at Roskilde. The present thesis has been submitted in partial fulfillment of the requirements for the Ph.D. degree in physics at the Niels Bohr Institute, University of Copenhagen. Besides the results of the creep experiment the thesis contains a description of the theoretical background to diffusional creep models. Also, the results from an investigation of helium bubble formation in an irradiated copper sample is included. (au)

  15. Numerical study of the atomic and electronic structure of some silicon grain boundaries; Etude numerique de la structure atomique et electronique de quelques joints de grains du silicium

    Energy Technology Data Exchange (ETDEWEB)

    Torrent, M

    1996-07-01

    This work contributes to the theoretical study of extended defects in covalent materials. The study is especially devoted to the tilt grain boundaries in silicon as a model material. The theoretical model is based on the self-consistent tight-binding approximation and is applied within two numerical techniques: the fast 'order N' density-matrix method and the diagonalization technique which allows the sampling of the reciprocal space. Total energy parameters of the model have been fitted in order to reproduce the silicon band structure (with a correct gap value) and the transferability of crystalline and mechanical properties of this material. A new type of boundary conditions is proposed and tested. These conditions, named 'ante-periodic' or 'Moebius', allow only one grain boundary per box instead of two and decrease the CPU time by a factor of two. The model is then applied to the study of the {sigma}=25 [001] (710) grain boundary. The results show the possible presence in this boundary of low energy non-reconstructed atomic structures which are electrically active. This confirms what had been suggested by some experimental observations. The same study is also performed for the {sigma}=13 [001] (510) grain boundary. In order to compare the intrinsic electrical activity in the previous grain boundaries with the one induced by impurities, a total energy parametrization for the silicon-nickel bond is achieved and used in preliminary calculations. Finally the two variants of the {sigma}=11 [011] (2-33) interface are studied, especially their respective interfacial energies. The result disagrees with previous calculations using phenomenological potentials. (author)

  16. The fine-grained phase-space structure of cold dark matter haloes

    NARCIS (Netherlands)

    Vogelsberger, Mark; White, Simon D. M.; Helmi, Amina; Springel, Volker

    2008-01-01

    We present a new and completely general technique for calculating the fine-grained phase-pace structure of dark matter (DM) throughout the Galactic halo. Our goal is to understand this structure on the scales relevant for direct and indirect detection experiments. Our method is based on evaluating

  17. Thermo-kinetic mechanisms for grain boundary structure multiplicity, thermal instability and defect interactions

    Energy Technology Data Exchange (ETDEWEB)

    Burbery, N.J. [Department of Mechanical Engineering, University of Auckland, Auckland 1010 (New Zealand); Das, R., E-mail: r.das@auckland.ac.nz [Department of Mechanical Engineering, University of Auckland, Auckland 1010 (New Zealand); Ferguson, W.G. [Department of Chemical and Materials Engineering, University of Auckland, Auckland 1010 (New Zealand)

    2016-08-15

    Grain boundaries (GBs) provide a source and/or a sink for crystal defects and store elastic energy due to the non-uniform atomic bonding structure of the GB core. GB structures are thermodynamically driven to transition to the lowest energy configuration possible; however to date there has been little evidence to explain why specific GB structures have a low energy state. Furthermore, there is little quantitative demonstration of the significance of physical and GB structure characteristics on the GB energy, thermal stability, and the effect of temporary local GB structure transformations on defect interactions. This paper evaluates the defect interactions and structure stability of multiple Σ5(310) GB structures in bi-crystals of pure aluminium, and systematically investigates the features at 0 K to characterise multiple metastable structures. Structure stability is evaluated by utilising unstable vacancy defects to initiate GB transformations, and using nudged elastic band simulations to quantify this with the activation energy. The emission of stable vacancy defects from the ‘stable’ and metastable grain boundaries is also evaluated in the same manner. A detailed analysis of dislocation nucleation at the atomistic scale demonstrates that local transformations of GB structure between stable and metastable intermediates can provide a mechanism to accommodate the generation of crystal defects. Kinetic (time-dependent) effects that compete with energetic driving forces for structural transformations of GBs are shown to cause a significant effect on the activation properties that may exceed the influence of GB potential energy. The results demonstrate that GB structural multiplicity can be associated with the generation and absorption of dislocations and vacancies. This paper demonstrates the suitability of atomistic simulations coupled with nudged elastic band simulations to evaluate fundamental thermodynamic properties of pure FCC metals. Overall, this paper

  18. Composition and grain size effects on the structural and mechanical properties of CuZr nanoglasses

    International Nuclear Information System (INIS)

    Adibi, Sara; Branicio, Paulo S.; Zhang, Yong-Wei; Joshi, Shailendra P.

    2014-01-01

    Nanoglasses (NGs), metallic glasses (MGs) with a nanoscale grain structure, have the potential to considerably increase the ductility of traditional MGs while retaining their outstanding mechanical properties. We investigated the effects of composition on the structural and mechanical properties of CuZr NG films with grain sizes between 3 to 15 nm using molecular dynamics simulations. Results indicate a transition from localized shear banding to homogeneous superplastic flow with decreasing grain size, although the critical average grain size depends on composition: 5 nm for Cu 36 Zr 64 and 3 nm for Cu 64 Zr 36 . The flow stress of the superplastic NG at different compositions follows the trend of the yield stress of the parent MG, i.e., Cu 36 Zr 64 yield/flow stress: 2.54 GPa/1.29 GPa and Cu 64 Zr 36 yield/flow stress: 3.57 GPa /1.58 GPa. Structural analysis indicates that the differences in mechanical behavior as a function of composition are rooted at the distinct statistics of prominent atomic Voronoi polyhedra. The mechanical behavior of NGs is also affected by the grain boundary thickness and the fraction of atoms at interfaces for a given average grain size. The results suggest that the composition dependence of the mechanical behavior of NGs follows that of their parent MGs, e.g., a stronger MG will generate a stronger NG, while the intrinsic tendency for homogeneous deformation occurring at small grain size is not affected by composition.

  19. Study of grain structure evolution during annealing of a twin-roll-cast Mg alloy

    Energy Technology Data Exchange (ETDEWEB)

    Tripathi, A. [IITB-Monash Research Academy, IIT Bombay (India); Department of Metallurgical Engineering and Materials Science, IIT Bombay (India); Department of Materials Engineering, Monash University (Australia); Samajdar, I. [Department of Metallurgical Engineering and Materials Science, IIT Bombay (India); Nie, J.F. [Department of Materials Engineering, Monash University (Australia); Tewari, A., E-mail: asim.tewari@iitb.ac.in [Department of Mechanical Engineering, IIT Bombay (India)

    2016-04-15

    The evolution of microstructure under static annealing was studied for mid-thickness section of a twin-roll-cast (TRC) magnesium alloy. Annealing was performed at 300 °C and 500 °C for different times. Microstructural evolution was quantitatively analyzed, from optical micrographs, using grain path envelope analysis. Additional information from electron backscatter diffraction (EBSD) was used for addressing the possible mechanism(s). It was found that the TRC structure had a bimodal grain size, which was preserved even after annealing at 300 °C. However, the annealing at 500 °C led to a unimodal grain size. This difference in the grain size distribution created a contrasting behavior in the normalized standard deviations. This was primarily attributed to a competition between recovery and recrystallization, and their respective dominance at 300° and 500 °C. A deformation induced recrystallization recovery (DIRR) model was proposed. The proposed model could successfully address the experimental microstructural evolution. - Highlights: • Annealing of twin roll cast (TRC) magnesium alloy was done at temperatures of 300 °C and 500 °C. • TRC had bimodal structure. Bimodality preserved for annealing at 300 °C. Annealing at 500 °C led to unimodal structure. • Grain evolution was described based on the competition between recovery and recrystallization. • Deformation induced recrystallization recovery (DIRR) mechanistic model was developed.

  20. Study of grain structure evolution during annealing of a twin-roll-cast Mg alloy

    International Nuclear Information System (INIS)

    Tripathi, A.; Samajdar, I.; Nie, J.F.; Tewari, A.

    2016-01-01

    The evolution of microstructure under static annealing was studied for mid-thickness section of a twin-roll-cast (TRC) magnesium alloy. Annealing was performed at 300 °C and 500 °C for different times. Microstructural evolution was quantitatively analyzed, from optical micrographs, using grain path envelope analysis. Additional information from electron backscatter diffraction (EBSD) was used for addressing the possible mechanism(s). It was found that the TRC structure had a bimodal grain size, which was preserved even after annealing at 300 °C. However, the annealing at 500 °C led to a unimodal grain size. This difference in the grain size distribution created a contrasting behavior in the normalized standard deviations. This was primarily attributed to a competition between recovery and recrystallization, and their respective dominance at 300° and 500 °C. A deformation induced recrystallization recovery (DIRR) model was proposed. The proposed model could successfully address the experimental microstructural evolution. - Highlights: • Annealing of twin roll cast (TRC) magnesium alloy was done at temperatures of 300 °C and 500 °C. • TRC had bimodal structure. Bimodality preserved for annealing at 300 °C. Annealing at 500 °C led to unimodal structure. • Grain evolution was described based on the competition between recovery and recrystallization. • Deformation induced recrystallization recovery (DIRR) mechanistic model was developed.

  1. Influence of Al grain structure on Fe bearing intermetallics during DC casting of an Al-Mg-Si alloy

    OpenAIRE

    Kumar, S.; O'Reilly, K.A.Q.

    2016-01-01

    207 mm diameter direct chill (DC) cast billets of 6063 aluminium-magnesium-silicon (Al-Mg-Si) alloy were produced with various different primary aluminium (α-Al) grain structures including feathery-dendrites, equiaxed-dendrites and equiaxed-globular morphologies. To control the α-Al grain structure (grain morphology and grain size) an intensive shearing melt conditioning technique and Al-5Ti-1B grain refiner were used. For the first time, due to the variety of controlled microstructures produ...

  2. Nanosized lithium titanates produced by plasma technique

    International Nuclear Information System (INIS)

    Grabis, J; Orlovs, A; Rasmane, Dz

    2007-01-01

    The synthesis of nanosized lithium titanates is studied by evaporation of coarse grained commercially available titanium and lithium carbonate particles in radio-frequency plasma flow with subsequent controlling formation and growth conditions of product particles. In accordance with the XRD analysis the phase composition of the obtained powders is determined by feeding rate of precursors and strongly by ratio of lithium and titanium. The Li 2 TiO 3 and Li 4 Ti 5 O 12 particles containing small amounts of extra phases were obtained at ratio of Li/Ti = 2 and Li/Ti = 0.8 respectively, feeding rate of precursors being in the range of 0.6-0.9 kg/h. Specific surface area of powders is in the range of 20-40 m2/g depending on concentration of vapours in gas flow and cooling rate of the products. Additional calcination of nanosize particles at 800-900 deg. C improves phase composition of lithium titanates

  3. Grain Boundary Structures and Collective Dynamics of Inversion Domains in Binary Two-Dimensional Materials

    Science.gov (United States)

    Taha, Doaa; Mkhonta, S. K.; Elder, K. R.; Huang, Zhi-Feng

    2017-06-01

    Understanding and controlling the properties and dynamics of topological defects is a lasting challenge in the study of two-dimensional materials, and is crucial to achieve high-quality films required for technological applications. Here grain boundary structures, energies, and dynamics of binary two-dimensional materials are investigated through the development of a phase field crystal model that is parametrized to match the ordering, symmetry, energy, and length scales of hexagonal boron nitride. Our studies reveal some new dislocation core structures for various symmetrically and asymmetrically tilted grain boundaries, in addition to those obtained in previous experiments and first-principles calculations. We also identify a defect-mediated growth dynamics for inversion domains governed by the collective atomic migration and defect core transformation at grain boundaries and junctions, a process that is related to inversion symmetry breaking in binary lattice.

  4. A study of manufacturing tubes with nano/ultrafine grain structure by stagger spinning

    International Nuclear Information System (INIS)

    Xia, Qinxiang; Xiao, Gangfeng; Long, Hui; Cheng, Xiuquan; Yang, Baojian

    2014-01-01

    Highlights: • Proposing a method of manufacturing tubes with nano/ultrafine crystal. • Obtaining the refined ferritic grains with an size of 500 nm after stagger spinning. • Obtaining the equiaxial ferritic grains with an size of 600 nm after annealing. - Abstract: A new method of manufacturing tubes with nano/ultrafine grain structure by stagger spinning and recrystallization annealing is proposed in this study. Two methods of the stagger spinning process are developed, the corresponding macroforming quality, microstructural evolution and mechanical properties of the spun tubes made of ASTM 1020 steel are analysed. The results reveal that a good surface smoothness and an improved spin-formability of spun parts can be obtained by the process combining of 3-pass spinning followed by a 580 °C × 0.5 h static recrystallization and 2-pass spinning with a 580 °C × 1 h static recrystallization annealing under the severe thinning ratio of wall thickness reduction. The ferritic grains with an average initial size of 50 μm are refined to 500 nm after stagger spinning under the 87% thinning ratio of wall thickness reduction. The equiaxial ferritic grains with an average size of 600 nm are generated through re-nucleation and grain growth by subsequent recrystallization annealing at 580 °C for 1 h heat preservation. The tensile strength of spun tubes has been founded to be proportional to the reciprocal of layer spacing of pearlite (LSP), and the elongation is inversely proportional to the reciprocal of LSP. This study shows that the developed method of stagger power spinning has the potential to be used to manufacture bulk metal components with nano/ultrafine grain structure

  5. IMPACT OF GRAIN EVOLUTION ON THE CHEMICAL STRUCTURE OF PROTOPLANETARY DISKS

    International Nuclear Information System (INIS)

    Vasyunin, A. I.; Birnstiel, T.; Zhukovska, S.; Henning, T.; Dullemond, C. P.; Wiebe, D. S.

    2011-01-01

    We study the impact of dust evolution in a protoplanetary disk (PPD) around a T Tauri star on the disk's chemical composition. For the first time, we utilize a comprehensive model of dust evolution, which includes growth, fragmentation, and sedimentation. Specific attention is paid to the influence of grain evolution on the penetration of the UV field in the disk. A chemical model that includes a comprehensive set of gas-phase and grain-surface chemical reactions is used to simulate the chemical structure of the disk. The main effect of grain evolution on the disk's chemical composition comes from sedimentation and, to a lesser degree, from reduction of the total grain-surface area. The net effect of grain growth is suppressed by the fragmentation process which maintains a population of small grains, dominating the total grain surface area. We consider three models of dust properties. In model GS, both growth and sedimentation are taken into account. In models A5 and A4, all grains are assumed to be the same size (10 -5 cm and 10 -4 cm, respectively) with a constant gas-to-dust mass ratio of 100. As in previous studies, the 'three-layer' pattern (cold midplane, warm molecular layer, and hot atmosphere) in the disk-chemical structure is preserved in all models, but shifted closer to the midplane in models with increased grain size (GS and A4). Unlike other similar studies, we find that in models GS and A4, the column densities of most gas-phase species are enhanced by 1-3 orders of magnitude relative to those in a model with pristine dust (A5), while column densities of their surface counterparts are decreased. We show that column densities of certain species, such as C 2 H, HC 2n+1 N (n = 0-3), H 2 O, and some other molecules, as well as the C 2 H 2 /HCN abundance ratio, all of which are accessible with Herschel and ALMA, can be used as observational tracers of early stages of the grain evolution process in PPDs.

  6. Structure And Mobilities Of Tungsten Grain Boundaries Calculated From Atomistic Simulations

    Energy Technology Data Exchange (ETDEWEB)

    Frolov, T. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Rudd, R. E. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2016-08-09

    The objective of this study is to develop a computational methodology to predict structure, energies and mobilities of tungsten grain boundaries as a function of misorientation and inclination. The energies and the mobilities are the necessary input for thermomechanical model of recrystallization being developed by the Marian Group at UCLA.

  7. Shape effect of ultrafine-grained structure on static fracture toughness in low-alloy steel

    Science.gov (United States)

    Inoue, Tadanobu; Kimura, Yuuji; Ochiai, Shojiro

    2012-01-01

    A 0.4C-2Si-1Cr-1Mo steel with an ultrafine elongated grain (UFEG) structure and an ultrafine equiaxed grain (UFG) structure was fabricated by multipass caliber rolling at 773 K and subsequent annealing at 973 K. A static three-point bending test was conducted at ambient temperature and at 77 K. The strength–toughness balance of the developed steels was markedly better than that of conventionally quenched and tempered steel with a martensitic structure. In particular, the static fracture toughness of the UFEG steel, having a yield strength of 1.86 GPa at ambient temperature, was improved by more than 40 times compared with conventional steel having a yield strength of 1.51 GPa. Furthermore, even at 77 K, the fracture toughness of the UFEG steel was about eight times higher than that of the conventional and UFG steels, despite the high strength of the UFEG steel (2.26 GPa). The UFG steel exhibited brittle fracture behavior at 77 K, as did the conventional steel, and no dimple structure was observed on the fracture surface. Therefore, it is difficult to improve the low-temperature toughness of the UFG steel by grain refinement only. The shape of crystal grains plays an important role in delamination toughening, as do their refinement and orientation. PMID:27877493

  8. Structural and histochemical studies on grain-filling in the caryopsis ...

    Indian Academy of Sciences (India)

    Unknown

    on the structure of rice caryopsis in relation to yield. (Ebenezer et al 1990, 2001), and on the histochemical localization of major storage components (Krishnan et al. 2001). We report here our findings on the transport of assimilates and major nutrients in developing grains and the storage components in mature caryopsis of ...

  9. Systematic and simulation-free coarse graining of homopolymer melts: A structure-based study

    International Nuclear Information System (INIS)

    Yang, Delian; Wang, Qiang

    2015-01-01

    We propose a systematic and simulation-free strategy for coarse graining of homopolymer melts, where each chain of N m monomers is uniformly divided into N segments, with the spatial position of each segment corresponding to the center-of-mass of its monomers. We use integral-equation theories suitable for the study of equilibrium properties of polymers, instead of many-chain molecular simulations, to obtain the structural and thermodynamic properties of both original and coarse-grained (CG) systems, and quantitatively examine how the effective pair potentials between CG segments and the thermodynamic properties of CG systems vary with N. Our systematic and simulation-free strategy is much faster than those using many-chain simulations, thus effectively solving the transferability problem in coarse graining, and provides the quantitative basis for choosing the appropriate N-values. It also avoids the problems caused by finite-size effects and statistical uncertainties in many-chain simulations. Taking the simple hard-core Gaussian thread model [K. S. Schweizer and J. G. Curro, Chem. Phys. 149, 105 (1990)] as the original system, we demonstrate our strategy applied to structure-based coarse graining, which is quite general and versatile, and compare in detail the various integral-equation theories and closures for coarse graining. Our numerical results show that the effective CG potentials for various N and closures can be collapsed approximately onto the same curve, and that structure-based coarse graining cannot give thermodynamic consistency between original and CG systems at any N < N m

  10. Segregation and structural transformations at Σ = 3 grain boundaries in NiAl: A Monte-Carlo study

    International Nuclear Information System (INIS)

    Brown, J.A.; Mishin, Y.

    2005-01-01

    Grain boundary structure and grain boundary segregation in stoichiometric and Ni-rich compositions of NiAl are studied by molecular statics and grand-canonical Monte-Carlo simulations in conjunction with an embedded-atom potential. Significant Ni segregation is found at the Σ = 3(1 1 1) and Σ = 3(2 1 1) grain boundaries, with segregation isotherms showing a saturation effect. The amount of Ni segregation increases and the excess free energy of the grain boundaries decreases with increased Ni bulk concentration. In strongly Ni-rich bulk compositions, both boundaries undergo transformations to new structures capable of accommodating more excess Ni atoms than the initial structures. The structural transformation is clearly manifested by a non-monotonic behavior of the segregation isotherm. In the Σ = 3(2 1 1) grain boundary, the transformation is accompanied by a relative tangential translation of the grains

  11. Weldability of thermally grain-refined Fe-12Ni-0. 25Ti for cryogenic structural applications

    Energy Technology Data Exchange (ETDEWEB)

    Williams, D.E.

    1980-02-01

    The weldability of a research alloy designed for structural use in liquid helium temperature, cryogenic environments was investigated. Plates of iron-12 weight percent nickel-0.25 weight percent titanium were grain refined by the four-step, grain refining thermal treatment developed for this alloy and welded with Inconel Number 92 weld wire using the Gas Metal Arc (GMA) welding process with argon-15% helium gas shielding. Both a single pass and a double-sided, 2 pass electron beam (EB) weld were also made without filler metal addition. Weldments were radiographed and sectioned and the charpy V-notch specimens removed were tested at liquid nitrogen and helium temperatures.

  12. Micro-structure and Mechanical Properties of Nano-TiC Reinforced Inconel 625 Deposited using LAAM

    Science.gov (United States)

    Bi, G.; Sun, C. N.; Nai, M. L.; Wei, J.

    In this paper, deposition of Ni-base Inconel 625 mixed with nano-TiC powders using laser aided additive manufacturing (LAAM) was studied. Micro-structure and mechanical properties were intensively investigated. The results showed that nano-size TiC distributed uniformly throughout the Ni- matrix. Inconel 625 can be reinforced by the strengthened grain boundaries with nano-size TiC. Improved micro-hardness and tensile properties were observed.

  13. Relations and interactions between twinning and grain boundaries in hexagonal close-packed structures

    Science.gov (United States)

    Barrett, Christopher Duncan

    Improving the formability and crashworthiness of wrought magnesium alloys are the two biggest challenges in current magnesium technology. Magnesium is the best material candidate for enabling required improvements in fuel economy of combustion engines and increases in ranges of electric vehicles. In hexagonal closed-packed (HCP) structures, effects of grain size/morphology and crystallographic texture are particularly important. Prior research has established a general understanding of the dependences of strength and strain anisotropy on grain morphology and texture. Unfortunately, deformation, recrystallization, and grain growth strategies that control the microstructures and textures of cubic metals and alloys have not generally worked for HCPs. For example, in Magnesium, the deformation texture induced by primary forming operations (rolling, extrusion, etc.) is not randomized by recrystallization and may strengthen during grain growth. A strong texture reduces formability during secondary forming (stamping, bending, hemming etc.) Thus, the inability to randomize texture has impeded the implementation of magnesium alloys in engineering applications. When rare earth solutes are added to magnesium alloys, distinct new textures are derived. However, `rare earth texture' derivation remains insufficiently explained. Currently, it is hypothesized that unknown mechanisms of alloy processing are at work, arising from the effects of grain boundary intrinsic defect structures on microstructural evolution. This dissertation is a comprehensive attempt to identify formal methodologies of analyzing the behavior of grain boundaries in magnesium. We focus particularly on twin boundaries and asymmetric tilt grain boundaries using molecular dynamics. We begin by exploring twin nucleation in magnesium single crystals, elucidating effects of heterogeneities on twin nucleation and their relationships with concurrent slip. These efforts highlighted the necessity of imperfections to

  14. Deformation Structure of Unidirectionally Compressed Ultrafine-Grained Mg-3Al-1Zn Alloy

    Science.gov (United States)

    Lee, W. T.; Ding, S. X.; Sun, D. K.; Hsiao, C. I.; Chang, C. P.; Chang, L.; Kao, P. W.

    2011-09-01

    Ultrafine-grained (UFG) Mg-3Al-1Zn (AZ31) alloys with gain sizes ranging from 0.46 to 3.22 μm were prepared by equal channel angular pressing (ECAP) and annealing. The deformation structure of UFG AZ31 alloy resulting from uniaxial compression was studied by optical and electron microscopy. The deformation was noted to proceed with the development of shear bands (SBs), which has not been reported in an UFG hcp metal. Characterization of these SBs was performed, and comparison with the SBs formed in UFG bcc and fcc metals was given. \\{ 10bar{1}2\\} tension twins inside SBs were found in all specimens compressed, irrespective of the grain size. Discussion on the limiting grain size of twinning in the UFG AZ31 alloy is also given.

  15. Physical properties and structure of large grain/single crystal niobium for superconducting RF cavities

    International Nuclear Information System (INIS)

    Ermakov, A; Jelezov, I; Singer, X; Singer, W; Wen, H; Spiwek, M; Viswanathan, G B; Levit, V; Fraser, H L

    2008-01-01

    The R and D program on superconducting cavities fabricated from electron beam melted large grain/single crystal (LG/SC) niobium discs explores it's potential for production of approximately 1000 cavities for the European XFEL. Thermal, electrical, mechanical properties, crystal orientation and structure are investigated with the aim to make the fabrication procedure more efficient. In opposite to fine grain niobium the thermal conductivity of LG/SC has a pronounced maximum at 2K. Calculation found a correlation between thermal conductivity enhancement and phonon scattering at the grain boundaries. Detected enhancement is very susceptible to plastic deformation that can cause the complete elimination of the low temperature peak. The final annealing at 800 deg. C of cavities made from large grain niobium is necessary for hydrogen outgassing, as well as for the thermal conductivity enhancement due to stress relaxation and recovery of crystal defects introduced at the cavity fabrication. The effects of annealing temperature up to 1200 deg. C, heating rate, and holding time on the structure recovery after rolling are also established. Total elongation at the uniaxial tensile tests for LG is very high (50-110%) and depends significantly on the load direction, because only very few grains are in the gage length. The elongation after fracture by bi-axial testing (bulging test) for LG is lower (<15%) yet sufficient for deep drawing of half-cells. Metallographic investigation of and electron beam welding tests on, niobium single crystals show that an appropriate disc enlargement and annealing can be done without destruction of the single crystal. These tests showed that a cavity can be produced without grain boundaries even in the welding area. On base of the results a fabrication method of single crystal cavities is proposed

  16. Summary of structural refinement in hi-silicon aluminium piston alloy with phosphorous as grain refiner

    International Nuclear Information System (INIS)

    Malik, F.A.; Sheikh, S.T.; Choudhry, A.A.

    2003-01-01

    Aluminium Silicon Alloys are extensively used in a wide variety of applications. There are numerous variables in composition, production control, final structure which can influence the mechanical properties of Hi - Silicon Piston alloys. Hypereutectic AlSi alloys develop coarse grain primary silicon crystals, which have a strong negative effect on the tensile strength, the ductility, and the hardness. These crystals slow machining and reduce the tool life considerably. Phosphorous addition produce a fine, evenly spread crystal structure, lamellar structure of the silicon changes into a granular structure. (author)

  17. Synthesis and testing of nanosized zeolite Y

    Science.gov (United States)

    Karami, Davood

    This work focuses on the synthesis and testing of nanosized zeolite Y. The synthesis formulations of faujasite-type structure of zeolite Y prepared in nanosized form are described. The synthetic zeolite Y is the most widely employed for the preparation of fluid catalytic cracking (FCC) catalysts. The synthesis of zeolite Y is very complicated process. The mean particle size of zeolite Y is 1800 nm. The major challenge of this work involved reducing this average particle size to less than 500 nm. The preliminary experiments were conducted to obtain the pure zeolite Y using the soluble silicates as a silica source. This was achieved by applying the experimental design approach to study the effects of many parameters. The ageing time turned out to be the most significant variable affecting product purity. Based on the preliminary results, a detailed investigation was carried out to determine the effects of silica-alumina precursor preparations on zeolite Y synthesis. Aluminosilicate precursors were prepared by gelling and precipitation of soluble silicate. The as-prepared precursors were used for the hydrothermal synthesis of zeolite Y. The procedure of the precipitation of soluble silicate yielded pure zeolite Y at the conventional synthesis conditions. The extent of purity of zeolite Y depends on the surface areas of aluminosilicate precursors. A novel approach to zeolite Y synthesis was employed for the preparation of the pure nanosized zeolite Y. This was achieved by applying the method of impregnation of precipitated silica. This novel method of impregnation for zeolite Y preparation allows eliminating the vigorous agitation step required for the preparation of a homogeneous silica solution, thereby simplifying the synthesis of zeolite Y in one single vessel. In case of the synthesis of nanosized zeolite Y, the effect of varying the organic templates on the formation of nanosized particles of zeolite Y was investigated, while all other reaction parameters were

  18. Predicting RNA 3D structure using a coarse-grain helix-centered model.

    Science.gov (United States)

    Kerpedjiev, Peter; Höner Zu Siederdissen, Christian; Hofacker, Ivo L

    2015-06-01

    A 3D model of RNA structure can provide information about its function and regulation that is not possible with just the sequence or secondary structure. Current models suffer from low accuracy and long running times and either neglect or presume knowledge of the long-range interactions which stabilize the tertiary structure. Our coarse-grained, helix-based, tertiary structure model operates with only a few degrees of freedom compared with all-atom models while preserving the ability to sample tertiary structures given a secondary structure. It strikes a balance between the precision of an all-atom tertiary structure model and the simplicity and effectiveness of a secondary structure representation. It provides a simplified tool for exploring global arrangements of helices and loops within RNA structures. We provide an example of a novel energy function relying only on the positions of stems and loops. We show that coupling our model to this energy function produces predictions as good as or better than the current state of the art tools. We propose that given the wide range of conformational space that needs to be explored, a coarse-grain approach can explore more conformations in less iterations than an all-atom model coupled to a fine-grain energy function. Finally, we emphasize the overarching theme of providing an ensemble of predicted structures, something which our tool excels at, rather than providing a handful of the lowest energy structures. © 2015 Kerpedjiev et al.; Published by Cold Spring Harbor Laboratory Press for the RNA Society.

  19. TEM nano-Moiré evaluation for an invisible lattice structure near the grain interface.

    Science.gov (United States)

    Zhang, Hongye; Wen, Huihui; Liu, Zhanwei; Zhang, Qi; Xie, Huimin

    2017-10-26

    Moiré technique is a powerful, important and effective tool for scientific research, from the nano-scale to the macro-scale, which is essentially the interference between two or more periodic structures with a similar frequency. In this study, an inverse transmission electron microscopy (TEM) nano-Moiré method has been proposed, for the first time, to reconstruct an invisible lattice structure near the grain interface, where only one kind of lattice structure and Moiré fringe were visible in a high resolution TEM (HRTEM) image simultaneously. The inversion process was performed in detail. Three rules were put forward to ensure the uniqueness of the inversion result. The HRTEM image of a top-coat/thermally grown oxide interface in a thermal barrier coating (TBC) structure was observed with coexisting visible lattice and Moiré fringes. Using the inverse TEM nano-Moiré method, the invisible lower layer lattice was inversed and a 3-dimensional structure near the interface was also reconstructed to some degree. The real strain field of oriented invisible and visible lattices and the relative strain field of the Moiré fringe in the grain and near the grain boundary were obtained simultaneously through the subset geometric phase analysis method. The possible failure mechanism and position of the TBC spallation from the nano-scale to the micro-scale were discussed.

  20. Development of Ultra-Fine-Grained Structure in AISI 321 Austenitic Stainless Steel

    Science.gov (United States)

    Tiamiyu, A. A.; Szpunar, J. A.; Odeshi, A. G.; Oguocha, I.; Eskandari, M.

    2017-12-01

    Ultra-fine-grained (UFG) structure was developed in AISI 321 austenitic stainless steel (ASS) using cryogenic rolling followed by annealing treatments at 923 K, 973 K, 1023 K, and 1073 K (650 °C, 700 °C, 750 °C, and 800 °C) for different lengths of time. The α'-martensite to γ-austenite reversion behavior and the associated texture development were analyzed in the cryo-rolled specimens after annealing. The activation energy, Q, required for the reversion of α'-martensite to γ-austenite in the steel was estimated to be 80 kJ mol-1. TiC precipitates and unreversed triple junction α'-martensite played major roles in the development of UFG structure through the Zener pinning of grain boundaries. The optimum annealing temperature and time for the development of UFG structure in the cryo-rolled AISI 321 steel are (a) 923 K (650 °C) for approximately 28800 seconds and (b) 1023 K (750 °C) for 600 seconds, with average grain sizes of 0.22 and 0.31 µm, respectively. Annealing at 1023 K (750 °C) is considered a better alternative since the volume fraction of precipitated carbides in specimens annealed at 1023 K (750 °C) are less than those annealed at 923 K (650 °C). More so, the energy consumption during prolonged annealing time to achieve an UFG structure at 923 K (650 °C) is higher due to low phase reversion rate. The hardness of the UFG specimens is 195 pct greater than that of the as-received steel. The higher volume fraction of TiC precipitates in the UFG structure may be an additional source of hardening. Micro and macrotexture analysis indicated {110}〈uvw〉 as the major texture component of the austenite grains in the UFG structure. Its intensity is stronger in the specimen annealed at low temperatures.

  1. Silicon Σ13(5 0 1) grain boundary interface structure determined by bicrystal Bragg rod X-ray scattering

    International Nuclear Information System (INIS)

    Howes, P.B.; Rhead, S.; Roy, M.; Nicklin, C.L.; Rawle, J.L.; Norris, C.A.

    2013-01-01

    The atomic structure of the silicon Σ13(5 0 1) symmetric tilt grain boundary interface has been determined using Bragg rod X-ray scattering. In contrast to conventional structural studies of grain boundary structure using transmission electron microscopy, this approach allows the non-destructive measurement of macroscopic samples. The interface was found to have a single structure that is fully fourfold coordinated. X-ray diffraction data were measured at Beamline I07 at the Diamond Light Source

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2012-01-01

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

  3. Localization to Chromosomes of Structural Genes for the Major Protease Inhibitors of Barley Grains

    DEFF Research Database (Denmark)

    Hejgaard, Jørn; Bjørn, S.E.; Nielsen, Gunnar Gissel

    1984-01-01

    Wheat-barley chromosome addition lines were compared by isoelectric focusing of protein extracts to identify chromosomes carrying loci for the major immunochemically distinct protease inhibitors of barley grains. Structural genes for the following inhibitors were localized: an inhibitor of both...... endogenous α-amylase 2 and subtilisin (ASI) on chromosome 2, two chymotrypsin/subtilisin inhibitors (CI-1 and CI-2) on chromosome 5 (long arm) and the major trypsin inhibitor (TI-1) on chromosome 3....

  4. Ultrafine-Grain Structure Formation in an Al-Mg-Sc Alloy During Warm ECAP

    Science.gov (United States)

    Sitdikov, Oleg; Avtokratova, Elena; Sakai, Taku; Tsuzaki, Kaneaki

    2013-02-01

    Microstructural evolution taking place during equal-channel angular pressing was studied in a commercial Al-6Mg-0.3Sc alloy at 523 K (250 °C) (~0.5 T m). The structural changes are mainly associated with development of microshear bands (MSBs) that are continuously formed by strain accumulation and microstructural heterogeneities in each pass, which result in fragmentation of coarse original grains. New ultrafine grains (UFGs) with moderate-to-high angle boundary misorientations are concurrently evolved in the interiors of MSBs accompanied by rigid body rotation at medium-to-large strains. Such strain-induced grain refinement process occurs very slowly and incompletely in the present heavily alloyed Al alloy, leading to formation of a mixed microstructure, i.e., the UFGs in colony and some weakly misoriented fragments of original grains. The microstructure evolved at ɛ ≈ 12 is characterized by a bimodal crystallite size distribution with two peaks at d 1 ≈ 0.2 to 0.3 μm and d 2 ≈ 0.6 to 0.7 μm, and the fraction of high angle boundaries of about 0.35 ± 0.05. The main factors promoting dynamic formation of UFGs and the effects of thermal processes on it during severe plastic deformation are discussed in detail.

  5. Structural and optical characteristics of nano-sized structure of Zn0.5Cd0.5S thin films prepared by dip-coating method

    International Nuclear Information System (INIS)

    Rafea, M. Abdel; Farag, A.A.M.; Roushdy, N.

    2009-01-01

    In this work, a stoichiometry Zn 0.5 Cd 0.5 S nano-structured powder was synthesized. Thin films of different thicknesses of Zn 0.5 Cd 0.5 S were prepared by dip-coating method onto glass substrates. The X-ray diffraction analysis of the prepared powder and films were performed to investigate the crystalline structure. Some structural parameters such as the mean crystallite size and the internal lattice strain were calculated. The composition analysis was made by the energy dispersive X-ray technique, EDX. Scanning electron micrographs, SEM showed that the prepared films are nearly homogeneous and consists of nearly parallel surfaces and the thickness was determined by the cross section imaging. The transmission spectra, T(λ), of the films at normal incidence of light were obtained in the spectral region 190-1100 nm. The optical constants of Zn 0.5 Cd 0.5 S films were determined using the interference maxima and minima of the transmission spectrum. The dispersion of refractive index was discussed in terms of the single-oscillator model and the important oscillating parameters were determined. The dependence of absorption coefficient on the photon energy was determined and the analysis of the result showed that the optical transition in Zn 0.5 Cd 0.5 S is allowed and indirect. The thickness dependence of the obtained optical parameters was also considered.

  6. Computer generated structures of grain boundaries in Li2-type ordered alloys

    International Nuclear Information System (INIS)

    DeHosson, J.Th.M.; Pestman, B.J.; Schapink, F.W.; Tichelaar, F.D.

    1988-01-01

    In recent years, the influence of the establishment of long-range order in cubic alloys on the structure of grain boundaries in Li 2 alloys has been considered. Thus, for example, for the Σ = 5 (310) tilt boundary the various possible structures have been investigated that are generated upon ordering, starting from plausible structures in the disordered state. However, apart from some rough energy estimates based upon nearest neighbor interactions, no reliable energy calculations have been performed of these different possible structures. In this paper, computer calculations based upon interatomic pair potentials constructed in such a way that the Li 2 structure is stable with respect to disordering, are reported for the Σ = 5 (310) boundary. The relative stability of various possible structures, with associated different boundary compositions, has been investigated

  7. Superhard Mo-Al-Ni films composed of grains with different crystallographic orientations and/or lattice structures

    Czech Academy of Sciences Publication Activity Database

    Musil, Jindřich; Stadnik, T.; Čerňanský, Marian

    2003-01-01

    Roč. 36, č. 1 (2003), s. 22-26 ISSN 1225-8024 R&D Projects: GA MŠk ME 529 Institutional research plan: CEZ:AV0Z1010914; CEZ:MSM 235200002 Keywords : Mo-Al-N film * hardness * structure * grain size * mixture of grains Subject RIV: BM - Solid Matter Physics ; Magnetism

  8. Simulation of the structure of vacancies in high angle grain boundaries

    International Nuclear Information System (INIS)

    Bristowe, P.D.; Brokman, A.; Spaepen, F.; Balluffi, R.W.

    1980-06-01

    Since the modeling approach used in an earlier work is used at an atomic level, this is the most appropriate and reliable technique available. To complement this study, however, we have also employed a hard sphere dynamic model and a bubble raft model because in the past they have provided useful qualitative insight into the structure of a variety of defects in two-dimensional crystalline and amorphous systems. The computed results form part of a wider investigation of vacancies and interstitials in various grain boundaries in which the binding energies are analyzed and related to the defect structure and form of the interatomic potential

  9. Alignment-free comparative genomic screen for structured RNAs using coarse-grained secondary structure dot plots

    DEFF Research Database (Denmark)

    Kato, Yuki; Gorodkin, Jan; Havgaard, Jakob Hull

    2017-01-01

    . Methods: Here we present a fast and efficient method, DotcodeR, for detecting structurally similar RNAs in genomic sequences by comparing their corresponding coarse-grained secondary structure dot plots at string level. This allows us to perform an all-against-all scan of all window pairs from two genomes...... without alignment. Results: Our computational experiments with simulated data and real chromosomes demonstrate that the presented method has good sensitivity. Conclusions: DotcodeR can be useful as a pre-filter in a genomic comparative scan for structured RNAs....

  10. Magnetic properties of hexaferrite nanosized powders produced via mechanoactivation

    Directory of Open Access Journals (Sweden)

    Naiden E.P.

    2005-01-01

    Full Text Available A study of the relationship between structural parameters and principal magnetic characteristics of nanosized powders of hexagonal ferrimagnetics produced via mechanoactivation has been carried out. The models describing the influence of the size effects on temperatures of magnetic phase transformations, saturation magnetization and magnetic anisotropy of similar materials are discussed.

  11. Mössbauer and magnetization studies of nanosize chromium ferrite ...

    African Journals Online (AJOL)

    Nanosize chromium ferrite (CrF) powder samples were synthesized by citrate precursor route in the size range of 6 to 35 nm. The structural and magnetic behaviour of these samples were studied using X-ray diffraction (XRD), vibrating sample magnetometer (VSM) and Mössbauer spectroscopic techniques. Synthesized ...

  12. Magnetic uni- and tri-axial grain-orientation in superconductors with layered structures

    International Nuclear Information System (INIS)

    Horii, S.; Yamaki, M.; Ogino, H.; Maeda, T.; Shimoyama, J.

    2010-01-01

    We report the grain-orientation effects under a modulated rotation magnetic field for Y-based cuprate superconductors and LaFeAsO (La1111). Tri-axial orientation has been successfully achieved only for orthorhombic Y 2 Ba 4 Cu 7 O y and YBa 2 Cu 4 O 8 powders without a twin microstructure, while separation of three crystallographic axes could not be observed in twinned YBa 2 Cu 3 O y (Y123) and tetragonal La1111 powders. The morphology of grains, in addition to the symmetry of crystal structures, seriously affects the degrees of tri-axial orientation, which means that the control of twin microstructures is required for the tri-axial magnetic orientation in Y123.

  13. Competitive Structure of U.S. Grain Exporters in the World Market: A Dynamic Panel Approach

    Directory of Open Access Journals (Sweden)

    Hyun J. Jin

    2008-06-01

    Full Text Available The objective of this study is to analyze the competitive structure of U.S. wheat, corn, and soybeans exporters in the world market. A dynamic two¡ⓒway panel estimator is utilized in the analysis in place of typically used two¡ⓒway fixed effects panel estimator. A broader (in terms of the number of destination markets and more recent data sample is analyzed in this study in comparison to previous studies in order to reflect vast changes that occurred in world grain markets during the last twenty years. Results indicate the presence of pricing¡ⓒto¡ⓒmarkets behavior by U.S. grain exporters overall, and toward some importing countries in particular.

  14. Atomic structure of large angle grain boundaries determined by quantitative X-ray diffraction techniques

    International Nuclear Information System (INIS)

    Fitzsimmons, M.R.; Sass, S.L.

    1988-01-01

    Quantitative X-ray diffraction techniques have been used to determine the atomic structure of the Σ = 5 and 13 [001] twist boundaries in Au with a resolution of 0.09 Angstrom or better. The reciprocal lattices of these boundaries were mapped out using synchrotron radiation. The atomic structures were obtained by testing model structures against the intensity observations with a chi square analysis. The boundary structure were modeled using polyhedra, including octahedra, special configurations of tetrahedra and Archimedian anti-prisms, interwoven together by the boundary symmetry. The results of this work point to the possibility of obtaining general rules for grain boundary structure based on X-ray diffraction observations that give the atomic positions with high resolution

  15. Effects of Temperature and Pressure of Hot Isostatic Pressing on the Grain Structure of Powder Metallurgy Superalloy.

    Science.gov (United States)

    Tan, Liming; He, Guoai; Liu, Feng; Li, Yunping; Jiang, Liang

    2018-02-24

    The microstructure with homogeneously distributed grains and less prior particle boundary (PPB) precipitates is always desired for powder metallurgy superalloys after hot isostatic pressing (HIPping). In this work, we studied the effects of HIPping parameters, temperature and pressure on the grain structure in PM superalloy FGH96, by means of scanning electron microscope (SEM), electron backscatter diffraction (EBSD), transmission electron microscope (TEM) and Time-of-flight secondary ion spectrometry (ToF-SIMS). It was found that temperature and pressure played different roles in controlling PPB precipitation and grain structure during HIPping, the tendency of grain coarsening under high temperature could be inhibited by increasing HIPping pressure which facilitates the recrystallization. In general, relatively high temperature and pressure of HIPping were preferred to obtain an as-HIPped superalloy FGH96 with diminished PPB precipitation and homogeneously refined grains.

  16. Shear response of grain boundaries with metastable structures by molecular dynamics simulations

    Science.gov (United States)

    Zhang, Liang; Lu, Cheng; Shibuta, Yasushi

    2018-04-01

    Grain boundaries (GBs) can play a role as the favored locations to annihilate point defects, such as interstitial atoms and vacancies. It is thus highly probable that different boundary structures can be simultaneously present in equilibrium with each other in the same GB, and thus the GB achieves a metastable state. However, the structural transition and deformation mechanism of such GBs are currently not well understood. In this work, molecular dynamics simulations were carried out to study the multiple structures of a Σ5(310)/[001] GB in bicrystal Al and to investigate the effect of structural multiplicity on the mechanical and kinetic properties of such a GB. Different GB structures were obtained by changing the starting atomic configuration of the bicrystal model, and the GB structures had significantly different atomic density. For the Σ5(310) GB with metastable structures, GB sliding was the dominant mechanism at a low temperature (T = 10 K) under shear stress. The sliding mechanism resulted from the uncoordinated transformation of the inhomogeneous structural units. The nucleation of voids was observed during GB sliding at the low temperature, and the voids subsequently evolved to a nanocrack at the boundary plane. Increasing the temperature can induce the structural transition of local GB structures and can change their overall kinetic properties. GB migration with occasional GB sliding dominated the deformation mechanism at elevated temperatures (T = 300 and 600 K), and the migration process of the metastable GB structures is closely related to the thermally assisted diffusion mechanism.

  17. Secondary Structure Analysis of Native Cellulose by Molecular Dynamics Simulations with Coarse Grained Model

    Science.gov (United States)

    Wu, Shuai; Zhan, Hai-yi; Wang, Hong-ming; Ju, Yan

    2012-04-01

    The secondary structure of different Iβ cellulose was analyzed by a molecular dynamics simulation with MARTINI coarse-grained force field, where each chain of the cellulose includes 40 D-glucoses units. Calculation gives a satisfied description about the secondary structure of the cellulose. As the chain number increasing, the cellulose becomes the form of a helix, with the diameter of screw growing and spiral rising. Interestingly, the celluloses with chain number N 4 of 6, 24 and 36 do show right-hand twisting. On the contrast, the celluloses with N 8 of 12, 16 chains are left-hand twisting. These simulations indicate that the cellulose with chain number larger than 36 will break down to two parts. Besides, the result indicates that 36-chains cellulose model is the most stable among all models. Furthermore, the Lennard-Jones potential determines the secondary structure. In addition, an equation was set up to analyze the twisting structure.

  18. Bridging scales from satellite to grains: Structural mapping aided by tablet and photogrammetry

    Science.gov (United States)

    Hawemann, Friedrich; Mancktelow, Neil; Pennacchioni, Giorgio; Wex, Sebastian; Camacho, Alfredo

    2016-04-01

    Bridging scales from satellite to grains: Structural mapping aided by tablet and photogrammetry A fundamental problem in small-scale mapping is linking outcrop observations to the large scale deformation pattern. The evolution of handheld devices such as tablets with integrated GPS and the availability of airborne imagery allows a precise localization of outcrops. Detailed structural geometries can be analyzed through ortho-rectified photo mosaics generated by photogrammetry software. In this study, we use a cheap standard Samsung-tablet (used for photogrammetry. The software PhotoScan from Agisoft matches the photographs in a fully automated manner, calculates a 3D model of the outcrop, and has the option to project this as an orthophoto onto a flat surface. This allows original orientations of grain-scale structures to be recorded over areas on a scale up to tens to hundreds of metres. The photo mosaics can then be georeferenced with the aid of the GPS-tracks of the shear zones and included in a GIS. This provides a cheap recording of the structures in high detail. The great advantages over mapping with UAVs (drones) is the resolution (1cm), the independence from weather and energy source, and the low cost.

  19. REACH Coarse-Grained Biomolecular Simulation: Transferability between Different Protein Structural Classes

    Energy Technology Data Exchange (ETDEWEB)

    Moritsugu, K [University of Heidelberg; Smith, Jeremy C [ORNL

    2008-08-01

    Coarse graining of protein interactions provides a means of simulating large biological systems. The REACH (Realistic Extension Algorithm via Covariance Hessian) coarse-graining method, in which the force constants of a residue-scale elastic network model are calculated from the variance-covariance matrix obtained from atomistic molecular dynamics (MD) simulation, involves direct mapping between scales without the need for iterative optimization. Here, the transferability of the REACH force field is examined between protein molecules of different structural classes. As test cases, myoglobin (all {alpha}), plastocyanin (all {beta}), and dihydrofolate reductase ({alpha}/{beta}) are taken. The force constants derived are found to be closely similar in all three proteins. An MD version of REACH is presented, and low-temperature coarse-grained (CG) REACH MD simulations of the three proteins are compared with atomistic MD results. The mean-square fluctuations of the atomistic MD are well reproduced by the CGMD. Model functions for the CG interactions, derived by averaging over the three proteins, are also shown to produce fluctuations in good agreement with the atomistic MD. The results indicate that, similarly to the use of atomistic force fields, it is now possible to use a single, generic REACH force field for all protein studies, without having first to derive parameters from atomistic MD simulation for each individual system studied. The REACH method is thus likely to be a reliable way of determining spatiotemporal motion of a variety of proteins without the need for expensive computation of long atomistic MD simulations.

  20. Coarse-Grained Biomolecular Simulation: Transferability between Different Protein Structural Classes

    Energy Technology Data Exchange (ETDEWEB)

    Moritsugu, K [University of Heidelberg; Smith, Jeremy C [ORNL

    2008-05-01

    Coarse graining of protein interactions provides a means of simulating large biological systems. The REACH (Realistic Extension Algorithm via Covariance Hessian) coarse-graining method, in which the force constants of a residue-scale elastic network model are calculated from the variance-covariance matrix obtained from atomistic molecular dynamics (MD) simulation, involves direct mapping between scales without the need for iterative optimization. Here, the transferability of the REACH force field is examined between protein molecules of different structural classes. As test cases, myoglobin (all {alpha}), plastocyanin (all {beta}), and dihydrofolate reductase ({alpha}/{beta}) are taken. The force constants derived are found to be closely similar in all three proteins. An MD version of REACH is presented, and low-temperature coarse-grained (CG) REACH MD simulations of the three proteins are compared with atomistic MD results. The mean-square fluctuations of the atomistic MD are well reproduced by the CGMD. Model functions for the CG interactions, derived by averaging over the three proteins, are also shown to produce fluctuations in good agreement with the atomistic MD. The results indicate that, similarly to the use of atomistic force fields, it is now possible to use a single, generic REACH force field for all protein studies, without having first to derive parameters from atomistic MD simulation for each individual system studied. The REACH method is thus likely to be a reliable way of determining spatiotemporal motion of a variety of proteins without the need for expensive computation of long atomistic MD simulations.

  1. A comparative EBSD and micro-XRD study of the intergranular grain structure in CP-Ti

    Energy Technology Data Exchange (ETDEWEB)

    Lynch, P.A., E-mail: Peter.Lynch@csiro.a [CSIRO Materials Science and Engineering, Gate 5 Normanby Road, Clayton, Victoria 3168 (Australia); Tomus, D.; Bettles, C.J. [Monash University, ARC Centre of Excellence for Design in Light Metals, Materials Engineering, Clayton, Victoria 3800 (Australia); Gibson, M.A.; Stevenson, A.W. [CSIRO Materials Science and Engineering, Gate 5 Normanby Road, Clayton, Victoria 3168 (Australia)

    2010-07-21

    Electron Backscatter Diffraction (EBSD) and scanning polychromatic X-ray micro-diffraction (micro-XRD) have been applied to study the intergranular grain structure in CP-Ti strip. Prior to synchrotron experimentation, a polycrystalline CP-Ti sample was electrochemically polished and a series of fiducial markers were placed on the surface to define a 500 {mu}mx500 {mu}m region of interest. Within this area EBSD was used to obtain an orientation map of the grains at the sample surface. Synchrotron polychromatic X-ray micro-diffraction data, collected on beamline 12.3.2 at the Advanced Light Source, was then used to map an area of 200x60 {mu}m{sup 2} within the region of interest. Comparison of the respective grain maps indicated an average grain size of {approx}50 {mu}m. Micro-XRD data was initially used to locate the same surface grains determined by EBSD. Based on comparison of the Euler angles, grain orientation maps from the two data sets were found to be in close agreement. The typical rolling texture found in CP-Ti was identified with the basal pole maxima tilted slightly toward the transverse direction. Subsequent 3D analysis of the Laue pattern intensity distribution of the surface grains revealed that some of the large grains identified by EBSD formed sub-cell structures below the sample surface.

  2. A comparative EBSD and micro-XRD study of the intergranular grain structure in CP-Ti

    Science.gov (United States)

    Lynch, P. A.; Tomus, D.; Bettles, C. J.; Gibson, M. A.; Stevenson, A. W.

    2010-07-01

    Electron Backscatter Diffraction (EBSD) and scanning polychromatic X-ray micro-diffraction (micro-XRD) have been applied to study the intergranular grain structure in CP-Ti strip. Prior to synchrotron experimentation, a polycrystalline CP-Ti sample was electrochemically polished and a series of fiducial markers were placed on the surface to define a 500 μm×500 μm region of interest. Within this area EBSD was used to obtain an orientation map of the grains at the sample surface. Synchrotron polychromatic X-ray micro-diffraction data, collected on beamline 12.3.2 at the Advanced Light Source, was then used to map an area of 200×60 μm 2 within the region of interest. Comparison of the respective grain maps indicated an average grain size of ˜50 μm. Micro-XRD data was initially used to locate the same surface grains determined by EBSD. Based on comparison of the Euler angles, grain orientation maps from the two data sets were found to be in close agreement. The typical rolling texture found in CP-Ti was identified with the basal pole maxima tilted slightly toward the transverse direction. Subsequent 3D analysis of the Laue pattern intensity distribution of the surface grains revealed that some of the large grains identified by EBSD formed sub-cell structures below the sample surface.

  3. Effect of the Grain Size of the Initial Structure of 1565chM Alloy on the Structure and Properties of the Joints Fabricated by Friction Stir Welding

    Science.gov (United States)

    Ovchinnikov, V. V.; Drits, A. M.; Gureeva, M. A.; Malov, D. V.

    2017-12-01

    The effect of the initial grain size in the structure of the aluminum 1565chM alloy on the mechanical properties of the welded joints formed by friction stir welding and on the grain size in the weld core is studied. It is shown that the design of tool and, especially, the parameters of a screw groove exert a great effect on the grain size in the weld core.

  4. Structural characterization of the milled wood lignin isolated from brewer´s spent grain

    OpenAIRE

    Rencoret, Jorge; Prinsen, Pepijn; Gutiérrez Suárez, Ana; Martínez, Ángel T.; Río Andrade, José Carlos del

    2014-01-01

    Brewer´s spent grain (BSG) is the major by-product generated by the brewing industry. BSG is rich in carbohydrates, lignin, proteins and lipids, and has a high potential as source of food, energy and chemicals. In this work, the composition and structural characteristics of the lignin from BSG have been studied in detail by Py-GC/MS and 2D-NMR. The data demonstrated that this lignin is a p-hydroxyphenyl-guaiacyl-syringyl (H-GS) lignin, with a predominance of G units (S/G ratio of 0.4). 2D-...

  5. Knowledge-based instantiation of full atomic detail into coarse-grain RNA 3D structural models.

    Science.gov (United States)

    Jonikas, Magdalena A; Radmer, Randall J; Altman, Russ B

    2009-12-15

    The recent development of methods for modeling RNA 3D structures using coarse-grain approaches creates a need to bridge low- and high-resolution modeling methods. Although they contain topological information, coarse-grain models lack atomic detail, which limits their utility for some applications. We have developed a method for adding full atomic detail to coarse-grain models of RNA 3D structures. Our method [Coarse to Atomic (C2A)] uses geometries observed in known RNA crystal structures. Our method rebuilds full atomic detail from ideal coarse-grain backbones taken from crystal structures to within 1.87-3.31 A RMSD of the full atomic crystal structure. When starting from coarse-grain models generated by the modeling tool NAST, our method builds full atomic structures that are within 1.00 A RMSD of the starting structure. The resulting full atomic structures can be used as starting points for higher resolution modeling, thus bridging high- and low-resolution approaches to modeling RNA 3D structure. Code for the C2A method, as well as the examples discussed in this article, are freely available at www.simtk.org/home/c2a. russ.altman@stanford.edu

  6. Improvement in tribological properties by modification of grain boundary and microstructure of ultrananocrystalline diamond films.

    Science.gov (United States)

    Sankaran, Kamatchi Jothiramalingam; Kumar, Niranjan; Kurian, Joji; Ramadoss, Radhika; Chen, Huang-Chin; Dash, Sitaram; Tyagi, Ashok Kumar; Lee, Chi-Young; Tai, Nyan-Hwa; Lin, I-Nan

    2013-05-01

    Grain boundaries and microstructures of ultrananocrystalline diamond (UNCD) films are engineered at nanoscale by controlling the substrate temperature (TS) and/or by introducing H2 in the commonly used Ar/CH4 deposition plasma in a microwave plasma enhanced chemical vapor deposition system. A model for the grain growth is proposed. The films deposited at low TS consist of random/spherical shaped UNCD grains with well-defined grain boundaries. On increasing TS, the adhering efficiency of CH radical onto diamond lattice drops and trans-polyacetylene (t-PA) encapsulating the nanosize diamond clusters break due to hydrogen abstraction activated, rendering the diamond phase less passivated. This leads to the C2 radical further attaching to the diamond lattice, resulting in the modification of grain boundaries and promoting larger sized clustered grains with a complicated defect structure. Introduction of H2 in the plasma at low TS gives rise to elongated clustered grains that is attributed to the presence of atomic hydrogen in the plasma, preferentially etching out the t-PA attached to nanosized diamond clusters. On the basis of this model a technologically important functional property, namely tribology of UNCD films, is studied. A low friction of 0.015 is measured for the film when ultranano grains are formed, which consist of large fractions of grain boundary components of sp(2)/a-C and t-PA phases. The grain boundary component consists of large amounts of hydroxylic and carboxylic functional groups which passivates the covalent carbon dangling bonds, hence low friction coefficient. The improved tribological properties of films can make it a promising candidate for various applications, mainly in micro/nanoelectro mechanical system (M/NEMS), where low friction is required for high efficiency operation of devices.

  7. THE IMPACT OF ORGANIZATIONAL AND TECHNOLOGICAL FACTORS ON THE EXPENSE STRUCTURE OF THE GRAIN STORAGES CONSTRUCTION ENTERPRISE

    Directory of Open Access Journals (Sweden)

    MENEJLYUK A. I.

    2016-12-01

    Full Text Available Formulation of the problem. The deficit of grain storage capacities in Ukraine is about 15-20 mln. tons. Specific conditions of the realization of grain storage construction projects require systemic research to improve the efficiency of organizational and technological solutions in the management of specialized companies, to reduce costs of construction works and to increase the profit margin. Purpose. Research changes in the structure and the amount of the total production costs of the grain storage construction enterprise under the influence of organizational and technological factors. Conclusion. The account of features of grain storage construction, as well as developed research methodology: have resulted in analysis and the construction of a computer model of the operating activity of the grain storage construction enterprise; have allowed exploring experimental and statistical regularities of indicators changes of such operating activity from the influence of organizational and technological factors.

  8. Magnetism, Nanosized Magnetic Materials

    Science.gov (United States)

    Miller, Joel S.; Drillon, Marc

    2002-01-01

    Magnetic behaviour, once thought to be mature, has gained a new momentum as it is being expanded by contributions from molecular chemistry, materials sciences to solid state physics. The spectrum spans molecule-based - organic, inorganic, and hybrid - compounds, metallic materials as well as their oxides forming, for example, thin films, nanoparticles, nanowires. New phenomena are explored that open promising perspectives for commercially applied "smart" materials. As a depository of contemporary knowledge on key topics related to magnetism, this open series of volumes provides a much-needed comprehensive overview of this growing interdisciplinary field. The topical reviews are written by the foremost scientists in the area, and the trends and recent advances are explained in a clear and detailed manner with a focus on the correlations between electronic structure and magnetic properties. The balance between theory and experiment within this series will guide advanced students and specialists in evaluating experimental observations and will serve as a basis for the design of new magnetic materials. This is a unique reference work, indispensable for everyone concerned with the phenomena of magnetism!

  9. Thin Bioactive Zn Substituted Hydroxyapatite Coating Deposited on Ultrafine-Grained Titanium Substrate: Structure Analysis

    Directory of Open Access Journals (Sweden)

    Konstantin A. Prosolov

    2018-02-01

    Full Text Available Nanocrystalline Zn-substituted hydroxyapatite coatings were deposited by radiofrequency magnetron sputtering on the surface of ultrafine-grained titanium substrates. Cross-section transmission electron microscopy provided information about the morphology and texture of the thin film while in-column energy dispersive X-ray analysis confirmed the presence of Zn in the coating. The Zn-substituted hydroxyapatite coating was formed by an equiaxed polycrystalline grain structure. Effect of substrate crystallinity on the structure of deposited coating is discussed. An amorphous TiO2 sublayer of 8-nm thickness was detected in the interface between the polycrystalline coating and the Ti substrate. Its appearance in the amorphous state is attributed to prior to deposition etching of the substrate and subsequent condensation of oxygen-containing species sputtered from the target. This layer contributes to the high coating-to-substrate adhesion. The major P–O vibrational modes of high intensity were detected by Raman spectroscopy. The Zn-substituted hydroxyapatite could be a material of choice when antibacterial osteoconductive coating with a possibility of withstanding mechanical stress during implantation and service is needed.

  10. Holliday Junction Thermodynamics and Structure: Coarse-Grained Simulations and Experiments

    Science.gov (United States)

    Wang, Wujie; Nocka, Laura M.; Wiemann, Brianne Z.; Hinckley, Daniel M.; Mukerji, Ishita; Starr, Francis W.

    2016-03-01

    Holliday junctions play a central role in genetic recombination, DNA repair and other cellular processes. We combine simulations and experiments to evaluate the ability of the 3SPN.2 model, a coarse-grained representation designed to mimic B-DNA, to predict the properties of DNA Holliday junctions. The model reproduces many experimentally determined aspects of junction structure and stability, including the temperature dependence of melting on salt concentration, the bias between open and stacked conformations, the relative populations of conformers at high salt concentration, and the inter-duplex angle (IDA) between arms. We also obtain a close correspondence between the junction structure evaluated by all-atom and coarse-grained simulations. We predict that, for salt concentrations at physiological and higher levels, the populations of the stacked conformers are independent of salt concentration, and directly observe proposed tetrahedral intermediate sub-states implicated in conformational transitions. Our findings demonstrate that the 3SPN.2 model captures junction properties that are inaccessible to all-atom studies, opening the possibility to simulate complex aspects of junction behavior.

  11. Fine-grained parallel RNAalifold algorithm for RNA secondary structure prediction on FPGA.

    Science.gov (United States)

    Xia, Fei; Dou, Yong; Zhou, Xingming; Yang, Xuejun; Xu, Jiaqing; Zhang, Yang

    2009-01-30

    In the field of RNA secondary structure prediction, the RNAalifold algorithm is one of the most popular methods using free energy minimization. However, general-purpose computers including parallel computers or multi-core computers exhibit parallel efficiency of no more than 50%. Field Programmable Gate-Array (FPGA) chips provide a new approach to accelerate RNAalifold by exploiting fine-grained custom design. RNAalifold shows complicated data dependences, in which the dependence distance is variable, and the dependence direction is also across two dimensions. We propose a systolic array structure including one master Processing Element (PE) and multiple slave PEs for fine grain hardware implementation on FPGA. We exploit data reuse schemes to reduce the need to load energy matrices from external memory. We also propose several methods to reduce energy table parameter size by 80%. To our knowledge, our implementation with 16 PEs is the only FPGA accelerator implementing the complete RNAalifold algorithm. The experimental results show a factor of 12.2 speedup over the RNAalifold (ViennaPackage - 1.6.5) software for a group of aligned RNA sequences with 2981-residue running on a Personal Computer (PC) platform with Pentium 4 2.6 GHz CPU.

  12. Multiscale Modeling of Grain Boundaries in ZrB2: Structure, Energetics, and Thermal Resistance

    Science.gov (United States)

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

    2012-01-01

    A combination of ab initio, atomistic and finite element methods (FEM) were used to investigate the structures, energetics and lattice thermal conductance of grain boundaries for the ultra high temperature ceramic ZrB2. Atomic models of idealized boundaries were relaxed using density functional theory. Information about bonding across the interfaces was determined from the electron localization function. The Kapitza conductance of larger scale versions of the boundary models were computed using non-equilibrium molecular dynamics. The interfacial thermal parameters together with single crystal thermal conductivities were used as parameters in microstructural computations. FEM meshes were constructed on top of microstructural images. From these computations, the effective thermal conductivity of the polycrystalline structure was determined.

  13. Simultaneous visualization of graphene grain boundaries and wrinkles with structural information by gold deposition.

    Science.gov (United States)

    Yu, Seong Uk; Park, Beomjin; Cho, Yeonchoo; Hyun, Seung; Kim, Jin Kon; Kim, Kwang S

    2014-08-26

    Although line defects such as grain boundaries (GBs) and wrinkles are unavoidable in graphene, difficulties in identification preclude studying their impact on electronic and mechanical properties. As previous methods focus on a single type of line defect, simultaneous measurements of both GBs and wrinkles with detailed structural information have not been reported. Here, we introduce effective visualization of both line defects by controlled gold deposition. Upon depositing gold on graphene, single lines and double lines of gold nanoparticles (NPs) are formed along GBs and wrinkles, respectively. Moreover, it is possible to analyze whether a GB is stitched or overlapped, whether a wrinkle is standing or folded, and the width of the standing collapsed wrinkle. Theoretical calculations show that the characteristic morphology of gold NPs is due to distinct binding energies of line defects, which are correlated to disrupting diffusion of NPs. Our approach could be further exploited to investigate the defect structures of other two-dimensional materials.

  14. Calculation of the local electric field for an infinite array of conducting nanosized objects

    International Nuclear Information System (INIS)

    Lim, Mikyoung; Kim, Dohyung; Kim, Sang Youl; Bouree, Jean-Eric

    2007-01-01

    The electric field for an infinite array of conducting nanosized objects in two-dimensional space has been calculated. The mirror symmetry for this physical problem has been introduced. By taking into account this symmetry, we transform the original problem into an infinite two-dimensional array of nanosized objects with the same solution. The electric field equation of the model has been successfully constructed using a single-layer potential of the periodic Green function. The electric field operator has been introduced. This mathematical approach yields a solution for determining the optimum structure of nanosized electronic devices such as carbon nanotube-based field emitters

  15. Skin regeneration with conical and hair follicle structure of deep second-degree scalding injuries via combined expression of the EPO receptor and beta common receptor by local subcutaneous injection of nanosized rhEPO

    Directory of Open Access Journals (Sweden)

    Ebert S

    2012-03-01

    analyzed with respect to grade of re-epithelialization (wound closure and stage of epidermal maturation. This was investigated using different histological parameters of epithelial covering, such as depth of the epidermal layer, epidermal stratification, and presence of conical and hair follicle structures.Results: Expression of EPOR, βCR, and growth hormone receptor at the mRNA and protein levels was demonstrated with reverse transcriptase polymerase chain reaction and Western blot analysis. After rhEPO treatment, the rate of re-epithelialization of the scalding injury was increased and the time to final wound closure was reduced. In addition, the quality of regenerated skin was improved. In this investigation, for the first time, we demonstrated coexpression of EPOR and βCR at the RNA and protein levels in vivo using a deep second-degree scalding injury mouse model. These results highlight the potential role of rhEPO in the improved treatment of burns patients, which might be crucial for the development of innovative new therapy regimes.Conclusion: Local injection of nanosized rhEPO directly to the injury site rather than systemic administration for deep second-degree scalding injuries achieved complete skin regeneration with conical and hair follicle structure via combined expression of EPOR and βCR.Keywords: burns, nanosize, common β subunit, erythropoietin, receptor, local injection

  16. Local Electronic And Dielectric Properties at Nanosized Interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Bonnell, Dawn A. [Univ. of Pennsylvania, Philadelphia, PA (United States)

    2015-02-23

    Final Report to the Department of Energy for period 6/1/2000 to 11/30/2014 for Grant # DE-FG02-00ER45813-A000 to the University of Pennsylvania Local Electronic And Dielectric Properties at Nanosized Interfaces PI: Dawn Bonnell The behavior of grain boundaries and interfaces has been a focus of fundamental research for decades because variations of structure and composition at interfaces dictate mechanical, electrical, optical and dielectric properties in solids. Similarly, the consequence of atomic and electronic structures of surfaces to chemical and physical interactions are critical due to their implications to catalysis and device fabrication. Increasing fundamental understanding of surfaces and interfaces has materially advanced technologies that directly bear on energy considerations. Currently, exciting developments in materials processing are enabling creative new electrical, optical and chemical device configurations. Controlled synthesis of nanoparticles, semiconducting nanowires and nanorods, optical quantum dots, etc. along with a range of strategies for assembling and patterning nanostructures portend the viability of new devices that have the potential to significantly impact the energy landscape. As devices become smaller the impact of interfaces and surfaces grows geometrically. As with other nanoscale phenomena, small interfaces do not exhibit the same properties as do large interfaces. The size dependence of interface properties had not been explored and understanding at the most fundamental level is necessary to the advancement of nanostructured devices. An equally important factor in the behavior of interfaces in devices is the ability to examine the interfaces under realistic conditions. For example, interfaces and boundaries dictate the behavior of oxide fuel cells which operate at extremely high temperatures in dynamic high pressure chemical environments. These conditions preclude the characterization of local properties during fuel cell

  17. Dynamic Response Modeling of Materials Structured at the Grain-Scale

    Science.gov (United States)

    White, Bradley

    2017-06-01

    Advanced manufacturing methods have given researchers additional control over the creation of complex structures, at the sub-millimeter length scale, for use in inert and energetic material applications. While the dynamic behavior and reactivity in energetic materials are typically dictated by their stochastic microstructures and formulation (particle size, constituents, weight percentages), the added benefits resulting from advanced manufacturing techniques are not entirely known. Through modeling we are examining the effects of material architecture on the shock and detonation wave dynamics in energetic materials using modeling at the continuum and grain scales. Wave interactions between different energetic materials and energetic with inert materials are of interest, as well as length scale dependencies due to local architecture and composition. This work will give insight into correlating mixing and behavior at the grain-scale level to the continuum level response. This work was performed under the auspices of the United States Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

  18. Structural and chemical analysis of grain boundaries and tellurium precipitates in commercial Cd1-xZnxTe

    International Nuclear Information System (INIS)

    Heffelfinger, J.R.; Medlin, D.L.; James, R.B.

    1998-01-01

    The structure and chemistry of grain boundaries in commercial Cd 1-x Zn x Te, prepared by the high-pressure Bridgman technique, have been analyzed using transmission electron microscopy, scanning electron microscopy, infrared-light microscopy and visible-light microscopy. These analyses show that the grain boundaries inside the Cd 1-x Zn x Te materials are decorated with tellurium precipitates. Analysis of a tellurium precipitate at a grain boundary by transmission electron microscopy and selected-area electron diffraction found the precipitate to consist of a single, saucer-shaped grain. Electron diffraction from the precipitate was consistent with the trigonal phase of tellurium (space group P3 1 21), which is the equilibrium phase at room temperature and atmospheric pressure. This precipitate was found to be aligned with one of the adjacent CZT grains such that the tellurium (0 bar 111) planes were nearly parallel to the CZT (111) planes. High-resolution transmission electron microscopy of the Te/Cd 1-x Zn x Te interface showed no tertiary phase at the interface. The structures of the grain boundaries and the Te/Cd 1-x Zn x Te interface are discussed and related to their possible implications on Cd 1-x Zn x Te gamma-ray detector performance

  19. THE INFLUENCE OF DISPERSION OF FLOUR’S PARTICLES FROM WHOLE-GRAIN WHEAT AND DISPERSED GRAIN MASS ON STRUCTURE FORMATION OF DOUGH AND BREAD

    Directory of Open Access Journals (Sweden)

    V. L. Cheshinskii

    2015-01-01

    Full Text Available Summary. On structure of "whipped" bread and dough is influenced by many factors, one of which is a dispersion of particles of flour. In this regard, was determined to investigate the structure formation processes of bread depending on the dispersity of the particles of flour. For this I have chosen two parties coarse whole meal flour from wheat grains with different grain size, select different modes humidity test and the experiment in the mixing-whipping-forming installation. The results of the experiment were obtained graphs showing the dependence of the current strength of the drive and volume weight on the duration of the process of churning the dough. At the stage deposits with increasing wetness of the dough decreases its viscosity and decreases the value of the current intensity. At the stage of churning Pro-comes a saturation test the air, thus decreasing its viscosity and current drive. Properties of dough and bread from different batches were compared. The dough obtained from flour II party, i.e., low dispersion, has a small viscosity, and the bread is slightly moist to the touch. . Thus, the results of the experiment showed that the physic-chemical and colloidal processes in structure formation of dough and bread is higher, the higher dispersity particles of flour, and, consequently, improves the quality of "whipped" bread.

  20. The impact of feeding Cyprinids on river bed sediment structures and grain entrainment

    Science.gov (United States)

    Pledger, A.; Rice, S. P.; Millett, J.

    2012-04-01

    In gravel-bed rivers, between bed-mobilising flood events, surface sediment particles are rearranged by moderate flows, generally into more stable "water-worked" positions characterised by structures of various types, including imbrication and pebble clusters. This surface layer of structured, relatively coarse particles moderates the availability of finer sub-surface sediment and the transfer of mobile material from upstream. The work reported here is focused on understanding how benthic feeding fish (Cyprinids and Salmonids) dismantle surface structures, making particles less stable and potentially rendering vulnerable sub-surface material more mobile. An increase in available, transportable sediment has implications for sediment transport fluxes, reach-scale sediment loads, channel morphology and aquatic habitat. However, almost nothing is known about the impacts of feeding fish on bed sediment structures, entrainment and sediment fluxes. A series of flume experiments will quantify the effects of six different species of fish on sediment structure and grain entrainment. The experiments will consider 1) topographic variations between pre- and post-feeding substrates using DEMs interpolated from laser scans and 2) differences in sediment entrainment from water-worked substrates exposed to feeding fish and control substrates, without fish. Using interpolated DEMs, a variety of structural parameters will be extracted (e.g. imbrication indices) to quantify the impact of each species whilst feeding. Underwater videography techniques will be used to establish entrainment thresholds and transport rates under low critical shear stresses. A second set of flume experiments are planned using a large outdoor flume to investigate the effects of feeding Barbel Barbus barbus on surface structure, to assess how disturbance and sediment mobility vary as a function of species size and shoal density. A final set of field experiments will consider the large-scale, geomorphological

  1. Wear Resistance of Austempered Ductile Iron with Nanosized Additives

    Science.gov (United States)

    Kaleicheva, J. K.; Mishev, V.

    2018-01-01

    The wear resistance, microstructure and mechanical properties of austempered ductile iron (ADI) with nanosized additives of cubic boron nitride cBN are investigated. Samples of ductile iron are put under austhempering at the following conditions: heating at 900°С, 1 h and isothermal retention at 280оС, 2 h and 380°С, 2 h with the aim to achieve a lower bainitic structure and an upper bainitic structure. The experimental wear testing of austempered ductile irons is performed in friction conditions of a fixed abrasive by a cinematic scheme „pin - disc” using an accelerated testing method and device. The microstructure of the ADI is investigated by metallographic and X-Ray analyses. The Vickers hardness testing and impact strength examination are carried out. The influence of the nanosized additives of cBN on the wear resistance, microstructure, impact strength and hardness of the ADI is investigated.

  2. Cellular detonations in nano-sized aluminum particle gas suspensions

    Science.gov (United States)

    Khmel, TA

    2017-10-01

    Formation of cellular detonation structures in monodisperse nano-sized aluminum particle – oxygen suspensions is studied by methods of numerical simulations of two-dimensional detonation flows. The detonation combustion are described within the semi-empirical model developed earlier which takes into account transition of the regime of aluminum particle combustion from diffusion to kinetic for micro-sized and nano-sized particles. The free-molecular effects are considered in the processes of heat and velocity relaxation of the phases. The specific features of the cellular detonation of nanoparticle suspensions comparing with micron-sized suspensions are irregular cellular structures, much higher pick pressure values, and relatively larger detonation cells. This is due to high value of activation energy of reduced chemical reaction of aluminum particle combustion in kinetic regime.

  3. Strong enhancement of superconductivity in a nanosized Pb bridge

    OpenAIRE

    Misko, V. R.; Fomin, V. M.; Devreese, J. T.

    2000-01-01

    In recent experiments with a superconducting nanosized Pb bridge formed between a scanning tunneling microscope tip and a substrate, superconductivity has been detected at magnetic fields, which are few times larger than the third (surface) critical field. We describe the observed phenomenon on the basis of a numerical solution of the Ginzburg-Landau equations in a model structure consisting of six conoids. The spatial distribution of the superconducting phase is shown to be strongly inhomoge...

  4. Nanosized Thin SnO2 Layers Doped with Te and TeO2 as Room Temperature Humidity Sensors

    Directory of Open Access Journals (Sweden)

    Biliana Georgieva

    2014-05-01

    Full Text Available In this paper the humidity sensing properties of layers prepared by a new method for obtaining doped tin oxide are studied. Different techniques—SEM, EDS in SEM, TEM, SAED, AES and electrical measurements—are used for detailed characterization of the thin layers. The as-deposited layers are amorphous with great specific area and low density. They are built up of a fine grained matrix, consisting of Sn- and Te-oxides, and a nanosized dispersed phase of Te, Sn and/or SnTe. The chemical composition of both the matrix and the nanosized particles depends on the ratio RSn/Te and the evaporation conditions. It is shown that as-deposited layers with RSn/Te ranging from 0.4 to 0.9 exhibit excellent characteristics as humidity sensors operating at room temperature—very high sensitivity, good selectivity, fast response and short recovery period. Ageing tests have shown that the layers possess good long-term stability. Results obtained regarding the type of the water adsorption on the layers’ surface help better understand the relation between preparation conditions, structure, composition and humidity sensing properties.

  5. Introducing improved structural properties and salt dependence into a coarse-grained model of DNA

    International Nuclear Information System (INIS)

    Snodin, Benedict E. K.; Mosayebi, Majid; Schreck, John S.; Romano, Flavio; Doye, Jonathan P. K.; Randisi, Ferdinando; Šulc, Petr; Ouldridge, Thomas E.; Tsukanov, Roman; Nir, Eyal; Louis, Ard A.

    2015-01-01

    We introduce an extended version of oxDNA, a coarse-grained model of deoxyribonucleic acid (DNA) designed to capture the thermodynamic, structural, and mechanical properties of single- and double-stranded DNA. By including explicit major and minor grooves and by slightly modifying the coaxial stacking and backbone-backbone interactions, we improve the ability of the model to treat large (kilobase-pair) structures, such as DNA origami, which are sensitive to these geometric features. Further, we extend the model, which was previously parameterised to just one salt concentration ([Na + ] = 0.5M), so that it can be used for a range of salt concentrations including those corresponding to physiological conditions. Finally, we use new experimental data to parameterise the oxDNA potential so that consecutive adenine bases stack with a different strength to consecutive thymine bases, a feature which allows a more accurate treatment of systems where the flexibility of single-stranded regions is important. We illustrate the new possibilities opened up by the updated model, oxDNA2, by presenting results from simulations of the structure of large DNA objects and by using the model to investigate some salt-dependent properties of DNA

  6. Introducing improved structural properties and salt dependence into a coarse-grained model of DNA

    Energy Technology Data Exchange (ETDEWEB)

    Snodin, Benedict E. K., E-mail: benedict.snodin@chem.ox.ac.uk; Mosayebi, Majid; Schreck, John S.; Romano, Flavio; Doye, Jonathan P. K., E-mail: jonathan.doye@chem.ox.ac.uk [Physical and Theoretical Chemistry Laboratory, Department of Chemistry, University of Oxford, South Parks Road, Oxford OX1 3QZ (United Kingdom); Randisi, Ferdinando [Life Sciences Interface Doctoral Training Center, South Parks Road, Oxford OX1 3QU (United Kingdom); Rudolf Peierls Centre for Theoretical Physics, 1 Keble Road, Oxford OX1 3NP (United Kingdom); Šulc, Petr [Center for Studies in Physics and Biology, The Rockefeller University, 1230 York Avenue, New York, New York 10065 (United States); Ouldridge, Thomas E. [Department of Mathematics, Imperial College, 180 Queen’s Gate, London SW7 2AZ (United Kingdom); Tsukanov, Roman; Nir, Eyal [Department of Chemistry and the Ilse Katz Institute for Nanoscale Science and Technology, Ben-Gurion University of the Negev, Beer Sheva (Israel); Louis, Ard A. [Rudolf Peierls Centre for Theoretical Physics, 1 Keble Road, Oxford OX1 3NP (United Kingdom)

    2015-06-21

    We introduce an extended version of oxDNA, a coarse-grained model of deoxyribonucleic acid (DNA) designed to capture the thermodynamic, structural, and mechanical properties of single- and double-stranded DNA. By including explicit major and minor grooves and by slightly modifying the coaxial stacking and backbone-backbone interactions, we improve the ability of the model to treat large (kilobase-pair) structures, such as DNA origami, which are sensitive to these geometric features. Further, we extend the model, which was previously parameterised to just one salt concentration ([Na{sup +}] = 0.5M), so that it can be used for a range of salt concentrations including those corresponding to physiological conditions. Finally, we use new experimental data to parameterise the oxDNA potential so that consecutive adenine bases stack with a different strength to consecutive thymine bases, a feature which allows a more accurate treatment of systems where the flexibility of single-stranded regions is important. We illustrate the new possibilities opened up by the updated model, oxDNA2, by presenting results from simulations of the structure of large DNA objects and by using the model to investigate some salt-dependent properties of DNA.

  7. Grain structure, texture and mechanical property evolution of automotive aluminium sheet during high power ultrasonic welding

    International Nuclear Information System (INIS)

    Haddadi, Farid; Tsivoulas, Dimitrios

    2016-01-01

    High power ultrasonic spot welding (HPUSW) is a joining technique which is performed within less than a second and provides a more energy-efficient alternative to friction stir spot welding (FSSW), which is considered a longer cycle manufacturing process for joining automotive alloys. To date, only a few reports exist on the deformation mechanisms that take place during high power ultrasonic spot welding. In this work, dynamic recrystallization and grain growth were examined using electron backscatter diffraction (EBSD). HPUSW causes extensive deformation within the weld zone where the temperature increases to 440 °C. An ultra-fine grain structure was observed in a thin band of flat weld interface within a short welding time of 0.10 s. With increasing welding time the interface was displaced and ‘folds’ or ‘crests’ appeared together with shear bands. The weld interface progressively changed from flat to sinusoidal and eventually to a convoluted wave-like pattern when the tool fully penetrated the workpiece, having a wavelength of ~ 1 mm after 0.40 s. Finally, the microstructure and texture varied significantly depending on the location within the weld. Although the texture near the weld interface was relatively weak, a shift was observed with increasing welding time from an initially Cube-dominated texture to one where the typical β-fibre Brass component prevailed. - Highlights: •Lap shear strength of ~2.9 kN was achieved in 0.30 sec welding time. •Temperature approached 440 °C along the weld centreline for the highest welding time. •The texture near the teeth was dominated by Brass, P and S components at optimum condition. •The weld interface showed typical β-fibre deformation texture at optimum condition.

  8. Differential Interaction of Antimicrobial Peptides with Lipid Structures Studied by Coarse-Grained Molecular Dynamics Simulations

    Directory of Open Access Journals (Sweden)

    Galo E. Balatti

    2017-10-01

    Full Text Available In this work; we investigated the differential interaction of amphiphilic antimicrobial peptides with 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC lipid structures by means of extensive molecular dynamics simulations. By using a coarse-grained (CG model within the MARTINI force field; we simulated the peptide–lipid system from three different initial configurations: (a peptides in water in the presence of a pre-equilibrated lipid bilayer; (b peptides inside the hydrophobic core of the membrane; and (c random configurations that allow self-assembled molecular structures. This last approach allowed us to sample the structural space of the systems and consider cooperative effects. The peptides used in our simulations are aurein 1.2 and maculatin 1.1; two well-known antimicrobial peptides from the Australian tree frogs; and molecules that present different membrane-perturbing behaviors. Our results showed differential behaviors for each type of peptide seen in a different organization that could guide a molecular interpretation of the experimental data. While both peptides are capable of forming membrane aggregates; the aurein 1.2 ones have a pore-like structure and exhibit a higher level of organization than those conformed by maculatin 1.1. Furthermore; maculatin 1.1 has a strong tendency to form clusters and induce curvature at low peptide–lipid ratios. The exploration of the possible lipid–peptide structures; as the one carried out here; could be a good tool for recognizing specific configurations that should be further studied with more sophisticated methodologies.

  9. Microstructure and mechanical properties of spot friction stir welded ultrafine grained 1050 Al and conventional grained 6061-T6 Al alloys

    International Nuclear Information System (INIS)

    Sun, Y.F.; Fujii, H.; Tsuji, N.

    2013-01-01

    The ultrafine grained (UFGed) 1050 Al plates with a thickness of 2 mm, which were produced by the accumulative roll bonding technique after 5 cycles, were spot friction stir welded to 2 mm thick 6061-T6 Al alloy plates at different rotation speeds. Although the UFGed 1050 Al plates were used as the lower plates in order to reduce the heat generation therein during the welding process, the initial nano-sized lamellar structure still transformed into an equiaxial grain structure with a grain size of about 5.9 µm in the stir zone of the joints. Simultaneously, coarsening of the precipitates and formation of large quantities of nano-sized subgrains were found in the stir zone of the 6061 Al alloy plates. Microstructural observation by high resolution transmission electron microscope showed that the two plates were bonded through a transitional layer with a thickness of about 15 nm, within which a lot of screw dislocations formed due to the frictional force between the two plates. A mechanical properties evaluation revealed that the maximum shear tensile load can reach about 4127 N and the joints fractured just outside the hook region in the lower 1050 Al plate

  10. Relationship of carbohydrates and lignin molecular structure spectral profiles to nutrient profile in newly developed oats cultivars and barley grain

    Science.gov (United States)

    Prates, Luciana Louzada; Refat, Basim; Lei, Yaogeng; Louzada-Prates, Mariana; Yu, Peiqiang

    2018-01-01

    The objectives of this study were to quantify the chemical profile and the magnitude of differences in the oat and barley grain varieties developed by Crop Development Centre (CDC) in terms of Cornell Net Carbohydrate Protein System (CNCPS) carbohydrate sub-fractions: CA4 (sugars), CB1 (starch), CB2 (soluble fibre), CB3 (available neutral detergent fibre - NDF), and CC (unavailable carbohydrate); to estimate the energy values; to detect the lignin and carbohydrate (CHO) molecular structure profiles in CDC Nasser and CDC Seabiscuit oat and CDC Meredith barley grains by using Fourier transform infrared attenuated total reflectance (FTIR-ATR); to develop a model to predict nutrient supply based on CHO molecular profile. Results showed that NDF, ADF and CHO were greater (P 0.05) for oat and barley grains as well as non-structural CHO. However, cellulosic compounds peak area and height were greater (P regressions were determined to predict nutrient supply by using lignin and CHO molecular profiles. It was concluded that although there were some differences between oat and barley grains, CDC Nasser and CDC Meredith presented similarities related to chemical and molecular profiles, indicating that CDC Meredith barley could be replaced for CDC Nasser as ruminant feed. The FTIR was able to identify functional groups related to CHO molecular spectral in oat and barley grains and FTIR-ATR results could be used to predict nutrient supply in ruminant livestock systems.

  11. Grain boundary structures in La2/3Ca1/3MnO3 thin films

    International Nuclear Information System (INIS)

    Miller, D. J.; Lin, Y.-K.; Vlasko-Vlasov, V.; Welp, U.

    1999-01-01

    As with many other oxide-based compounds that exhibit electronic behavior, structural defects have a strong influence on the electronic properties of the CMR manganites. In this work, the authors have studied the effect of grain boundaries on the transport properties and on the local orientation of magnetization. Thin films of the perovskite-related La 2/3 Ca 1/3 MnO 3 compound were deposited onto bicrystal substrates using pulsed laser deposition. Transport measurements showed some enhancement of magnetoresistance across the grain boundary. The structure of the boundary was evaluated by electron microscopy. In contrast with the highly meandering boundaries typically observed in bicrystals of high temperature superconductors, the boundaries in these films are relatively straight and well defined. However, magneto-optical imaging showed that the local magnetization was oriented out of the plane at the grain boundary while it was oriented within the plane in the grains on either side. This coordinated reorientation of local magnetization near the grain boundary leads to enhanced magnetoresistance across the boundary in low fields

  12. Effect of Electric-current Pulses on Grain-structure Evolution in Cryogenically Rolled Copper

    Science.gov (United States)

    2014-11-01

    subsequent discharge of a high-voltage capacitor bank. The waveform of the ECP was determined to be a damped oscillation using a Rogowski coil15 and C8-17 dual...found in previous work,16 the fine grains originated from local grain boundary bulging occurring during warming of the cryorolled material to ambient

  13. Growth, structure and firm dynamics in grain markets: the case of ...

    African Journals Online (AJOL)

    Hence without renewed focus on promoting firm growth, especially grain traders through improving access to warehouses, relaxing credit constraints, and improving the macroeconomic and regulatory environment, not only grain traders but also rural and urban households will face a very uncertain and untenable future ...

  14. Internal structure of an intact Convallaria majalis pollen grain observed with X-ray Fresnel coherent diffractive imaging

    NARCIS (Netherlands)

    Mancuso, Adrian P; Groves, Matthew R; Polozhentsev, Oleg E; Williams, Garth J; McNulty, Ian; Antony, Claude; Santarella-Mellwig, Rachel; Soldatov, Aleksander V; Lamzin, Victor; Peele, Andrew G; Nugent, Keith A; Vartanyants, Ivan A

    2012-01-01

    We have applied Fresnel Coherent Diffractive Imaging (FCDI) to image an intact pollen grain from Convallaria majalis. This approach allows us to resolve internal structures without the requirement to chemically treat or slice the sample into thin sections. Coherent X-ray diffraction data from this

  15. Modern state of the structural perfection of hopper cars for transportation of grains and their development prospects

    OpenAIRE

    О. В. Фомін; Н. Г. Мурашова; Валерія Сергіївна Воропай; В. В. Коваленко

    2017-01-01

    The analysis of the modern fleet of hopper cars used for grain transportation in Ukraine has been done. The analysis revealed the need to create a new generation of wagons to upgrade the fleet of freight cars and reduce the number of specialized cars with expired service life. The structural features of various hoppers used for grain transportation as compared to the other types of hoppers as well as the prospects for their development have been covered. The analysis of the hopper cars fleet ...

  16. Grain size effect on the structural parameters of the stress induced epsilonhcp: martensite in iron-based shape memory alloy

    Directory of Open Access Journals (Sweden)

    Fabiana Cristina Nascimento

    2008-03-01

    Full Text Available The aim of this work was to study the effect of austenitic grain size (GS reduction on the structural parameters of the epsilonhcp - martensite in stainless shape memory alloy (SMA. Rietveld refinement data showed an expansion in c-axis and a reduction in a and b-axis with thermo-mechanical cycles for all samples analyzed. Samples with 75 < GS (µm < 129 were analyzed. It was also observed an increase of the unit cell volume in this phase with GS reduction. The smallest grain size sample (GS = 75 µm presented a c/a ratio of 1.649, and approximately 90% of total shape memory recovery.

  17. Fine-grained parallelism accelerating for RNA secondary structure prediction with pseudoknots based on FPGA.

    Science.gov (United States)

    Xia, Fei; Jin, Guoqing

    2014-06-01

    PKNOTS is a most famous benchmark program and has been widely used to predict RNA secondary structure including pseudoknots. It adopts the standard four-dimensional (4D) dynamic programming (DP) method and is the basis of many variants and improved algorithms. Unfortunately, the O(N(6)) computing requirements and complicated data dependency greatly limits the usefulness of PKNOTS package with the explosion in gene database size. In this paper, we present a fine-grained parallel PKNOTS package and prototype system for accelerating RNA folding application based on FPGA chip. We adopted a series of storage optimization strategies to resolve the "Memory Wall" problem. We aggressively exploit parallel computing strategies to improve computational efficiency. We also propose several methods that collectively reduce the storage requirements for FPGA on-chip memory. To the best of our knowledge, our design is the first FPGA implementation for accelerating 4D DP problem for RNA folding application including pseudoknots. The experimental results show a factor of more than 50x average speedup over the PKNOTS-1.08 software running on a PC platform with Intel Core2 Q9400 Quad CPU for input RNA sequences. However, the power consumption of our FPGA accelerator is only about 50% of the general-purpose micro-processors.

  18. Wear Behavior of Austempered Ductile Iron with Nanosized Additives

    Directory of Open Access Journals (Sweden)

    J. Kaleicheva

    2014-03-01

    Full Text Available The microstructure and properties of austempered ductile iron (ADI strengthened with nanosized addtives of titanium nitride + titanium carbonitride (TiN + TiCN, titanium nitride TiN and cubic boron nitride cBN are investigated. The TiN, TiCN and cBN, nanosized particles are coated by electroless nickel coating EFTTOM-NICKEL prior to the edition to the melt. The spheroidal graphite iron samples are undergoing an austempering, including heating at 900 оС for an hour, after that isothermal retention at 280 оС, 2 h and 380 оС, 2h. The metallographic analysis by optical metallographic microscope GX41 OLIMPUS and hardness measurements by Vickers Method are performed. The structure of the austempered ductile iron consists of lower bainite and upper bainite.Experimental investigation of the wear by fixed abrasive are also carried out. The influence of the nanosized additives on the microstructure, mechanical and tribological properties of the austempered ductile irons (ADI is studied.

  19. Mechanical properties of ultra-fine grained structure formed in Al-Li alloys

    International Nuclear Information System (INIS)

    Adamczyk-Cieslak, B.; Lewandowska, M.; Mizera, J.; Kurzydlowski, K.J.

    2004-01-01

    This paper describes the mechanical properties (microhardness, yield stress) of two model Al-Li alloys by the Equal-Channel-Angular-Extrusion (ECAE) process. The applied ECAE process reduced the grain size from an initial value of ∼300 μm to a value of ∼0.7 μm leading to profound increase of plastic flow resistance. Such an increase is related to the grain size refinement and strengthening due to Li atoms in solid solution. Microhardness data confirm the Hall - Petch relation for grain sizes not available so far in Al-Li alloys. (author)

  20. Structural, Infrared and Magnetic Properties of Nanosized Ni(x)Zn1-xFe2O4 Powders Synthesized by Sol-Gel Technique.

    Science.gov (United States)

    Zhu, Xiang-Rong; Zhu, Zhi-Gang; Chen, Cheng; Shen, Hong-Lie

    2015-04-01

    Ni-Zn ferrites Ni(x)Zn1-xFe2O4 (x = 0.2, 0.4, 0.5, 0.6, 0.8) powders were synthesized by sol-gel technique. Structural, infrared and magnetic properties of samples were investigated. Spinel structural characteristics are shown by XRD spectra and the morphologies observed by atomic force microscopy demonstrate the samples are in nano-range. For all the samples, FTIR spectra exhibit obvious v1 infrared absorbing bands, in the range 500-600 cm-1, corresponding to intrinsic stretching vibrations of the metal ions at the tetrahedral site (Td), Mtetra O. Furthermore, the central position of v1 band is tending to shift to larger wave numbers with the increasing Ni contents in the samples. For the samples Ni(x)Zn1-xFe2O4 (x = 0.2, 0.4), the v2 infrared absorbing bands, in the range 450-385 cm(-1), corresponding to stretching vibrations of the metal ions at the octahedral-metal stretching (Oh), Mocta O, were also observed. However, for samples Ni(x)Zn1-xFe2O4 with higher Ni content (x = 0.5, 0.6, 0.8), the v2 infrared absorbing bands were obscure. The magnetic hysteretic loops at room temperature obtained from vibration samples magnetometer reveal the soft magnetism of the samples. The sample with lowest Ni content, Ni0.2Zn0.8Fe2O4, presents much higher saturation field than the other samples. The coercive field rises with increased Ni content, which is ascribed to the increased magnetocrystalline anisotropy constant with Ni content.

  1. Modeling Structural Dynamics of Biomolecular Complexes by Coarse-Grained Molecular Simulations.

    Science.gov (United States)

    Takada, Shoji; Kanada, Ryo; Tan, Cheng; Terakawa, Tsuyoshi; Li, Wenfei; Kenzaki, Hiroo

    2015-12-15

    Due to hierarchic nature of biomolecular systems, their computational modeling calls for multiscale approaches, in which coarse-grained (CG) simulations are used to address long-time dynamics of large systems. Here, we review recent developments and applications of CG modeling methods, focusing on our methods primarily for proteins, DNA, and their complexes. These methods have been implemented in the CG biomolecular simulator, CafeMol. Our CG model has resolution such that ∼10 non-hydrogen atoms are grouped into one CG particle on average. For proteins, each amino acid is represented by one CG particle. For DNA, one nucleotide is simplified by three CG particles, representing sugar, phosphate, and base. The protein modeling is based on the idea that proteins have a globally funnel-like energy landscape, which is encoded in the structure-based potential energy function. We first describe two representative minimal models of proteins, called the elastic network model and the classic Go̅ model. We then present a more elaborate protein model, which extends the minimal model to incorporate sequence and context dependent local flexibility and nonlocal contacts. For DNA, we describe a model developed by de Pablo's group that was tuned to well reproduce sequence-dependent structural and thermodynamic experimental data for single- and double-stranded DNAs. Protein-DNA interactions are modeled either by the structure-based term for specific cases or by electrostatic and excluded volume terms for nonspecific cases. We also discuss the time scale mapping in CG molecular dynamics simulations. While the apparent single time step of our CGMD is about 10 times larger than that in the fully atomistic molecular dynamics for small-scale dynamics, large-scale motions can be further accelerated by two-orders of magnitude with the use of CG model and a low friction constant in Langevin dynamics. Next, we present four examples of applications. First, the classic Go̅ model was used to

  2. Voronoi-Based DEM Simulation Approach for Sandstone Considering Grain Structure and Pore Size

    Science.gov (United States)

    Li, Jun; Konietzky, Heinz; Frühwirt, Thomas

    2017-10-01

    This paper presents a new procedure to create numerical models considering grain shape and size as well as pore size in an explicit and stochastic equivalent manner. Four shape factors are introduced to reproduce shape and size of grains and pores. Thin sections are used to analyze grain shape and pore size of rock specimen. First, a particle-based numerical model is set up by best fitted clumps from a shape library according to thin sections. Finally, an equivalent Voronoi-based discrete element model is set up based on the superimposed particle model. Uniaxial compression and tensile tests are simulated for validation. Both tests indicate that grain boundaries and pores provide preferred paths of weakness for crack propagation, but they also reveal significant differences in terms of intra- and inter-granular fracturing.

  3. Backscattered electron technique used for studying the grain boundary structure in polycrystals

    International Nuclear Information System (INIS)

    Lopes, Luiz Carlos Rolim; Thomson, Chris Boyd; Randle, Valerie

    1996-01-01

    In this work the electron backscatter diffraction technique has been used to study the grain boundary character distribution in a austenitic steel and a ordered intermetallic Fe Al. For the first material it has been found that the hot rolling and solubilization process produce grain boundary character distribution with 1/4 of Σ = 3 interface. For the intermetallic Fe Al it was found that Σ = 1 and Σ = 5 interfaces to do not show tendency to show intergranular cracking. (author)

  4. The Influence of Grain Structure on Intermetallic Compound Layer Growth Rates in Fe-Al Dissimilar Welds

    Science.gov (United States)

    Xu, Lei; Robson, Joseph D.; Wang, Li; Prangnell, Philip B.

    2018-02-01

    The thickness of the intermetallic compound (IMC) layer that forms when aluminum is welded to steel is critical in determining the properties of the dissimilar joints. The IMC reaction layer typically consists of two phases ( η and θ) and many attempts have been made to determine the apparent activation energy for its growth, an essential parameter in developing any predictive model for layer thickness. However, even with alloys of similar composition, there is no agreement of the correct value of this activation energy. In the present work, the IMC layer growth has been characterized in detail for AA6111 aluminum to DC04 steel couples under isothermal annealing conditions. The samples were initially lightly ultrasonically welded to produce a metallic bond, and the structure and thickness of the layer were then characterized in detail, including tracking the evolution of composition and grain size in the IMC phases. A model developed previously for Al-Mg dissimilar welds was adapted to predict the coupled growth of the two phases in the layer, whilst accounting explicitly for grain boundary and lattice diffusion, and considering the influence of grain growth. It has been shown that the intermetallic layer has a submicron grain size, and grain boundary diffusion as well as grain growth plays a critical role in determining the thickening rate for both phases. The model was used to demonstrate how this explains the wide scatter in the apparent activation energies previously reported. From this, process maps were developed that show the relative importance of each diffusion path to layer growth as a function of temperature and time.

  5. Advancing nanograined/ultrafine-grained structures for metal implant technology: Interplay between grooving of nano/ultrafine grains and cellular response

    International Nuclear Information System (INIS)

    Venkatsurya, P.K.C; Thein-Han, W.W.; Misra, R.D.K.; Somani, M.C.; Karjalainen, L.P.

    2010-01-01

    Nanograined/ultrafine-grained (NG/UFG) metals provide surfaces that are different from conventional coarse-grained polycrystalline metals because of the high fraction of grain boundaries. In the context of osseointegration of metal implants, grooving of nanograins/ultrafine grains by electrochemical grooving is a potential approach to increase the biomechanical interlocking and anchorage with consequent enhancement of cellular response. The primary objective of the research described here is to advance science and technology of metal implants by making a relative comparison of osteoblast response of grain boundary grooved and planar NG/UFG surfaces. The NG/UFG substrates were obtained using an ingenious concept of controlled phase reversion and the grain boundaries were electrochemically treated to induce grooving of large fraction of grain boundaries of NG/UFG substrate. Experiments on the effect of grooving of grain boundaries of NG/UFG metal indicated that cell attachment, proliferation, viability, morphology, and spread are favorably modulated and significantly different from planar (non-grooved) NG/UFG substrates. Furthermore, immunofluorescence studies demonstrated stronger vinculin signals associated with actin stress fibers in the outer regions of the cells and cellular extensions on electrochemically grooved NG/UFG substrate. These observations are indicative of accelerated response of cell-substrate interaction and activity. The differences in the cellular response of planar and grain boundary grooved NG/UFG surface are attributed to favorable surface topography that accelerates the cellular activity.

  6. First combined electron backscatter diffraction and transmission electron microscopy study of grain boundary structure of deformed quartzite.

    Science.gov (United States)

    Shigematsu, N; Prior, D J; Wheeler, J

    2006-12-01

    The structures of boundaries in a deformed and dynamically recovered and recrystallized quartz polycrystal (mylonite) were characterized by transmission electron microscopy, after the misorientation angles across the same grain boundaries had been analysed using electron backscatter diffraction in a scanning electron microscope. In this new approach, a specific sample area is mapped with electron backscatter diffraction, and the mapped area is then attached to a foil, and by the ion beam thinned for transmission electron microscopy analysis. Dislocations in grain boundaries were recognized as periodic and parallel fringes. The fringes associated with dislocations are observed in boundaries with misorientations less than 9 degrees , whereas such fringes cannot be seen in the boundaries with misorientations larger than 17 degrees . Some boundaries with misorientations between 9 degrees and 17 degrees generally have no structures associated with dislocation. One segment of a boundary with a misorientation of 13.5 degrees has structures associated with dislocations. It is likely that the transition from low-angle to high-angle boundaries occurs at misorientations ranging from approximately 9 degrees to 14 degrees . Change in the grain boundary structure presumably influences the mobility of the boundaries. In the studied deformed quartz vein, a relative dearth of boundaries between misorientation angles of theta = 2 degrees and theta = 15 degrees has previously been reported, and high-angle boundaries form cusps where they intersect low-angle boundaries, suggesting substantial mobility of high-angle boundaries.

  7. Development of nano/sub-micron grain structures in metastable austenitic stainless steels

    Science.gov (United States)

    Rajasekhara, Shreyas

    2007-12-01

    This dissertation is a part of a collaborative work between the University of Texas, Austin-Texas, the University of Oulu, Oulu-Finland, and Outokumpu Stainless Oy, Tornio-Finland, to develop commercial austenitic stainless steels with high strength and ductility. The idea behind this work involves cold-rolling a commercial metastable austenitic stainless steel - AISI 301LN stainless steel to produce strain-induced martensite, followed by an annealing treatment to generate nano/sub-micron grained austenite. AISI 301LN stainless steel sheets are cold-rolled to 63% reduction and subsequently annealed at 600°C, 700°C, 800°C, 900°C and 1000°C for 1, 10 and 100 seconds. The samples are analyzed by X-Ray diffraction, SQUID, transmission electron microscopy, and tensile testing to fundamentally understand the microstructural evolution, the mechanism for the martensite → austenite reversion, the formation of nano/sub-micron austenite grains, and the relationship between the microstructure and the strength obtained in this stainless steel. The results show that cold-rolled AISI 301LN stainless steel consist of dislocation-cell martensite, heavily deformed lath-martensite and austenite shear bands. Subsequent annealing at 600°C for short durations of 1 and 10 seconds leads to negligible martensite to austenite reversion. These 600°C samples exhibit a similar microstructure to the cold-rolled sample. However, for samples annealed at 600°C for 100 seconds and those annealed at higher temperatures (700°C, 800°C, 900°C and 1000°C) exhibit equiaxed austenitic grains of sizes 0.2mum-10mum and secondary phase precipitates. The microstructural analysis also reveals that the martensite → austenite reversion occurs via a diffusion-type reversion mechanism. In this regard, a generalized form of Avrami's equation is used to model the kinetics of martensite → austenite phase reversion. The results from the model agree reasonably well with the experiments. Furthermore

  8. The Analysis and Structuring of the Causes Impeding the Introduction of Advanced Technologies for Exchange Grain Trading

    Directory of Open Access Journals (Sweden)

    Vinnychenko Olena V

    2015-03-01

    Full Text Available In the article the main causes impeding the development and introduction of advanced technologies for grain trading on commodity exchanges in Ukraine have been identified and structured. The generalization of existing shortcomings in operation of the domestic commodity exchanges has served the basis for the model, within which there were built: a directed graph of correlations between the above mentioned shortcomings in the operation of exchanges, the matrix of dependency and reachability. The causes have been identified and structured, the main ones being determined, which, in turn, makes it possible to carry out the correct sequence of actions and emphasize the primary issues requiring priority solutions at making management decisions in order to promote the grain exchange market. The suggested approach clearly shows the correlation between the existing causes and sequence of their elimination.

  9. Applying Ultrasonic Phased Array Technology to Examine Austenitic Coarse-Grained Structures for Light Water Reactor Piping

    International Nuclear Information System (INIS)

    Anderson, Michael T.; Cumblidge, Stephen E.; Doctor, Steven R.

    2003-01-01

    Pacific Northwest Laboratory is evaluating the capabilities and limitations of phased array (PA) technology to detect service-type flaws in coarse-grained austenitic piping structures. The work is being sponsored by the U.S. Nuclear Regulatory Commission, Office of Research. This paper presents initial work involving the use of PA technology to determine the effectiveness of detecting and accurately characterizing flaws on the far-side of austenitic piping welds

  10. Studies of CoSn grains in the carbon matrix structure of nanostructured tin-cobalt-carbon

    Energy Technology Data Exchange (ETDEWEB)

    Ferguson, P.P. [Dept. of Physics and Atmospheric Science, Dalhousie University, Halifax, NS, Canada B3H 3J5 (Canada); Fleischauer, M.D. [NRC, National Institute for Nanotechnology, Edmonton, AB, Canada T6G 2M9 (Canada); LaForge, J.M. [Dept. of Electrical and Computer Engineering, University of Alberta, Edmonton, AB, Canada T6G 2V4 (Canada); Todd, A.D.W. [NRC Institute for National Measurements Standards, Ottawa, ON, Canada K1A 0R6 (Canada); Li, P. [NRC, National Institute for Nanotechnology, Edmonton, AB, Canada T6G 2M9 (Canada); Dahn, J.R., E-mail: jeff.dahn@dal.ca [Dept. of Physics and Atmospheric Science, Dalhousie University, Halifax, NS, Canada B3H 3J5 (Canada); Institute for Research in Materials, Dalhousie University, Halifax, NS, Canada B3H 3J5 (Canada)

    2012-11-15

    Highlights: Black-Right-Pointing-Pointer Sn-Co-C alloys as negative electrode for Li-ion batteries. Black-Right-Pointing-Pointer Sn-Co-C alloys prepared by mechanical alloying and by sputtering. Black-Right-Pointing-Pointer CoSn grains embedded in carbon matrix structure was observed from SANS and TEM. Black-Right-Pointing-Pointer SANS quickly characterized Sn-Co-C alloys equivalently to TEM. - Abstract: Small angle neutron scattering (SANS) and transmission electron microscopy (TEM) have been used to qualitatively analyze the structure of Sn{sub 30}Co{sub 30}C{sub 40} alloys produced by vertical axis mechanical attriting to those produced by magnetron sputter deposition. From SANS and TEM, CoSn grains embedded in a carbon matrix structure were observed for all samples. The size of CoSn grains in the attrited samples was approximately 10 {+-} 3 nm by both TEM and SANS, while that of the sputtered samples was about 7 times smaller.

  11. Radiation-induced grain subdivision and bubble formation in U3Si2 at LWR temperature

    Science.gov (United States)

    Yao, Tiankai; Gong, Bowen; He, Lingfeng; Harp, Jason; Tonks, Michael; Lian, Jie

    2018-01-01

    U3Si2, an advanced fuel form proposed for light water reactors (LWRs), has excellent thermal conductivity and a high fissile element density. However, limited understanding of the radiation performance and fission gas behavior of U3Si2 is available at LWR conditions. This study explores the irradiation behavior of U3Si2 by 300 keV Xe+ ion beam bombardment combining with in-situ transmission electron microscopy (TEM) observation. The crystal structure of U3Si2 is stable against radiation-induced amorphization at 350 °C even up to a very high dose of 64 displacements per atom (dpa). Grain subdivision of U3Si2 occurs at a relatively low dose of 0.8 dpa and continues to above 48 dpa, leading to the formation of high-density nanoparticles. Nano-sized Xe gas bubbles prevail at a dose of 24 dpa, and Xe bubble coalescence was identified with the increase of irradiation dose. The volumetric swelling resulting from Xe gas bubble formation and coalescence was estimated with respect to radiation dose, and a 2.2% volumetric swelling was observed for U3Si2 irradiated at 64 dpa. Due to extremely high susceptibility to oxidation, the nano-sized U3Si2 grains upon radiation-induced grain subdivision were oxidized to nanocrystalline UO2 in a high vacuum chamber for TEM observation, eventually leading to the formation of UO2 nanocrystallites stable up to 80 dpa.

  12. Systematic coarse graining from structure using internal states: application to phospholipid/cholesterol bilayer

    DEFF Research Database (Denmark)

    Murtola, Teemu; Karttunen, Mikko; Vattulainen, Ilpo

    2009-01-01

    We present a two-dimensional coarse-grained (CG) model for a lipid membrane composed of phospholipids and cholesterol. The effective CG interactions are determined using radial distribution functions (RDFs) from atom-scale molecular dynamics simulations using the inverse Monte Carlo (IMC) technique...

  13. Gels of ferulated arabinoxylans extracted from distillers dried grains with solubles: rheology, structural parameters and microstructure

    Science.gov (United States)

    One of the major by-products of bioethanol production is distillers dried grains with solubles (DDGS). Maize is one of the main sources for the production of this biofuel. In this way, dietary fiber represents the principal fraction of DDGS, which could be a potential source of added-value biomolecu...

  14. Structural and histochemical studies on grain-filling in the caryopsis ...

    Indian Academy of Sciences (India)

    Unknown

    J. Biosci. | Vol. 28 | No. 4 | June 2003. Grain-filling in rice. 459. Figure 4. Transverse section in the mid-region of a mature rice caryopsis about 30 DAF. (A, Aleurone; E, endo- sperm; OV, ovular vascular trace; P, pericarp.) ...

  15. Growth, Structure and Firm Dynamics in Grain Markets: The Case of ...

    African Journals Online (AJOL)

    Optiplex 7010 Pro

    woldayam@yahoo.com. 4 PhD, International Water Management Institute, Addis Ababa k.getnet@yahoo.com ..... and membership in traders' association would help improve supply chain efficiency, growth and business ..... large capital requirements as well as the high cost of logistics. With no large-scale grain trading firm ...

  16. Primary structure of a lipoxygenase from barley grain as deduced from its cDNA sequence

    NARCIS (Netherlands)

    Mechelen, J.R. van; Smits, M.; Douma, A.C.; Rouster, J.; Cameron-Mills, V.; Heidekamp, F.; Valk, B.E.

    1995-01-01

    A full length cDNA sequence for a barley grain lipoxygenase was obtained. It includes a 5' untranslated region of 69 nucleotides, an open reading frame of 2586 nucleotides encoding a protein of 862 amino acid residues and a 3' untranslated region of 142 nucleotides. The molecular mass of the encoded

  17. GARN2: coarse-grained prediction of 3D structure of large RNA molecules by regret minimization.

    Science.gov (United States)

    Boudard, Mélanie; Barth, Dominique; Bernauer, Julie; Denise, Alain; Cohen, Johanne

    2017-08-15

    Predicting the 3D structure of RNA molecules is a key feature towards predicting their functions. Methods which work at atomic or nucleotide level are not suitable for large molecules. In these cases, coarse-grained prediction methods aim to predict a shape which could be refined later by using more precise methods on smaller parts of the molecule. We developed a complete method for sampling 3D RNA structure at a coarse-grained model, taking a secondary structure as input. One of the novelties of our method is that a second step extracts two best possible structures close to the native, from a set of possible structures. Although our method benefits from the first version of GARN, some of the main features on GARN2 are very different. GARN2 is much faster than the previous version and than the well-known methods of the state-of-art. Our experiments show that GARN2 can also provide better structures than the other state-of-the-art methods. GARN2 is written in Java. It is freely distributed and available at http://garn.lri.fr/. melanie.boudard@lri.fr or johanne.cohen@lri.fr. 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

  18. Structure and properties of ultrafine-grained MoSi2 + Si3N4 composites synthesized by mechanical alloying

    International Nuclear Information System (INIS)

    Suryanarayana, C.

    2008-01-01

    Monolithic MoSi 2 and MoSi 2 + Si 3 N 4 ultrafine-grained composites with 2.5 or 5.0 wt.% Si 3 N 4 were synthesized by mechanical alloying. The microstructure and crystal structure of the phases present in the as-milled powders were determined by electron microscopy and X-ray diffraction methods. The mechanically alloyed powders were successfully consolidated to full density by vacuum hot pressing. A detailed microstructural investigation and mechanical properties (hardness and fracture toughness) evaluation of the consolidated products was presented. After consolidation, the microstructure continued to be fine-grained (in the submicron range), but no appreciable increase in the room temperature fracture toughness of MoSi 2 was observed for the composites by the addition of Si 3 N 4

  19. Structure and dynamics of Ebola virus matrix protein VP40 by a coarse-grained Monte Carlo simulation

    Science.gov (United States)

    Pandey, Ras; Farmer, Barry

    Ebola virus matrix protein VP40 (consisting of 326 residues) plays a critical role in viral assembly and its functions such as regulation of viral transcription, packaging, and budding of mature virions into the plasma membrane of infected cells. How does the protein VP40 go through structural evolution during the viral life cycle remains an open question? Using a coarse-grained Monte Carlo simulation we investigate the structural evolution of VP40 as a function of temperature with the input of a knowledge-based residue-residue interaction. A number local and global physical quantities (e.g. mobility profile, contact map, radius of gyration, structure factor) are analyzed with our large-scale simulations. Our preliminary data show that the structure of the protein evolves through different state with well-defined morphologies which can be identified and quantified via a detailed analysis of structure factor.

  20. Microbiota of kefir grains

    Directory of Open Access Journals (Sweden)

    Tomislav Pogačić

    2013-03-01

    Full Text Available Kefir grains represent the unique microbial community consisting of bacteria, yeasts, and sometimes filamentous moulds creating complex symbiotic community. The complexity of their physical and microbial structures is the reason that the kefir grains are still not unequivocally elucidated. Microbiota of kefir grains has been studied by many microbiological and molecular approaches. The development of metagenomics, based on the identification without cultivation, is opening new possibilities for identification of previously nonisolated and non-identified microbial species from the kefir grains. Considering recent studies, there are over 50 microbial species associated with kefir grains. The aim of this review is to summarise the microbiota composition of kefir grains. Moreover, because of technological and microbiological significance of the kefir grains, the paper provides an insight into the microbiological and molecular methods applied to study microbial biodiversity of kefir grains.

  1. A critical comparison of coarse-grained structure-based approaches and atomic models of protein folding.

    Science.gov (United States)

    Hu, Jie; Chen, Tao; Wang, Moye; Chan, Hue Sun; Zhang, Zhuqing

    2017-05-31

    Structure-based coarse-grained Gō-like models have been used extensively in deciphering protein folding mechanisms because of their simplicity and tractability. Meanwhile, explicit-solvent molecular dynamics (MD) simulations with physics-based all-atom force fields have been applied successfully to simulate folding/unfolding transitions for several small, fast-folding proteins. To explore the degree to which coarse-grained Gō-like models and their extensions to incorporate nonnative interactions are capable of producing folding processes similar to those in all-atom MD simulations, here we systematically compare the computed unfolded states, transition states, and transition paths obtained using coarse-grained models and all-atom explicit-solvent MD simulations. The conformations in the unfolded state in common Gō models are more extended, and are thus more in line with experiment, than those from all-atom MD simulations. Nevertheless, the structural features of transition states obtained by the two types of models are largely similar. In contrast, the folding transition paths are significantly more sensitive to modeling details. In particular, when common Gō-like models are augmented with nonnative interactions, the predicted dimensions of the unfolded conformations become similar to those computed using all-atom MD. With this connection, the large deviations of all-atom MD from simple diffusion theory are likely caused in part by the presence of significant nonnative effects in folding processes modelled by current atomic force fields. The ramifications of our findings to the application of coarse-grained modeling to more complex biomolecular systems are discussed.

  2. Time-of-Flight Three Dimensional Neutron Diffraction in Transmission Mode for Mapping Crystal Grain Structures

    DEFF Research Database (Denmark)

    Cereser, Alberto; Strobl, Markus; Hall, Stephen A.

    2017-01-01

    constituting the material. This article presents a new non-destructive 3D technique to study centimeter-sized bulk samples with a spatial resolution of hundred micrometers: time-of-flight three-dimensional neutron diffraction (ToF 3DND). Compared to existing analogous X-ray diffraction techniques, ToF 3DND......-of-flight neutron beamline. The technique was developed and tested with data collected at the Materials and Life Science Experimental Facility of the Japan Proton Accelerator Complex (J-PARC) for an iron sample. We successfully reconstructed the shape of 108 grains and developed an indexing procedure....... The reconstruction algorithms have been validated by reconstructing two stacked Co-Ni-Ga single crystals, and by comparison with a grain map obtained by post-mortem electron backscatter diffraction (EBSD)....

  3. Simulation and Experimental Studies on Grain Selection and Structure Design of the Spiral Selector for Casting Single Crystal Ni-Based Superalloy

    Directory of Open Access Journals (Sweden)

    Hang Zhang

    2017-10-01

    Full Text Available Grain selection is an important process in single crystal turbine blades manufacturing. Selector structure is a control factor of grain selection, as well as directional solidification (DS. In this study, the grain selection and structure design of the spiral selector were investigated through experimentation and simulation. A heat transfer model and a 3D microstructure growth model were established based on the Cellular automaton-Finite difference (CA-FD method for the grain selector. Consequently, the temperature field, the microstructure and the grain orientation distribution were simulated and further verified. The average error of the temperature result was less than 1.5%. The grain selection mechanisms were further analyzed and validated through simulations. The structural design specifications of the selector were suggested based on the two grain selection effects. The structural parameters of the spiral selector, namely, the spiral tunnel diameter (dw, the spiral pitch (hb and the spiral diameter (hs, were studied and the design criteria of these parameters were proposed. The experimental and simulation results demonstrated that the improved selector could accurately and efficiently produce a single crystal structure.

  4. Simulation and Experimental Studies on Grain Selection and Structure Design of the Spiral Selector for Casting Single Crystal Ni-Based Superalloy.

    Science.gov (United States)

    Zhang, Hang; Xu, Qingyan

    2017-10-27

    Grain selection is an important process in single crystal turbine blades manufacturing. Selector structure is a control factor of grain selection, as well as directional solidification (DS). In this study, the grain selection and structure design of the spiral selector were investigated through experimentation and simulation. A heat transfer model and a 3D microstructure growth model were established based on the Cellular automaton-Finite difference (CA-FD) method for the grain selector. Consequently, the temperature field, the microstructure and the grain orientation distribution were simulated and further verified. The average error of the temperature result was less than 1.5%. The grain selection mechanisms were further analyzed and validated through simulations. The structural design specifications of the selector were suggested based on the two grain selection effects. The structural parameters of the spiral selector, namely, the spiral tunnel diameter ( d w ), the spiral pitch ( h b ) and the spiral diameter ( h s ), were studied and the design criteria of these parameters were proposed. The experimental and simulation results demonstrated that the improved selector could accurately and efficiently produce a single crystal structure.

  5. Time-of-Flight Three Dimensional Neutron Diffraction in Transmission Mode for Mapping Crystal Grain Structures

    OpenAIRE

    Cereser, Alberto; Strobl, Markus; Hall, Stephen; Steuwer, Axel; Kiyanagi, Ryoji; Tremsin, Anton; Knudsen, Erik Bergbäck; Shinohara, Takenao; Willendrup, Peter; Fanta, Alice Bastos da Silva; Iyengar, Srinivasan; Larsen, Peter Mahler; Hanashima, Takayasu; Moyoshi, Taketo; Kadletz, Peter M.

    2017-01-01

    The physical properties of polycrystalline materials depend on their microstructure, which is the nano- to centimeter scale arrangement of phases and defects in their interior. Such microstructure depends on the shape, crystallographic phase and orientation, and interfacing of the grains constituting the material. This article presents a new non-destructive 3D technique to study centimeter-sized bulk samples with a spatial resolution of hundred micrometers: time-of-flight three-dimensional ne...

  6. Barley grain constituents, starch composition, and structure affect starch in vitro enzymatic hydrolysis.

    Science.gov (United States)

    Asare, Eric K; Jaiswal, Sarita; Maley, Jason; Båga, Monica; Sammynaiken, Ramaswami; Rossnagel, Brian G; Chibbar, Ravindra N

    2011-05-11

    The relationship between starch physical properties and enzymatic hydrolysis was determined using ten different hulless barley genotypes with variable carbohydrate composition. The ten barley genotypes included one normal starch (CDC McGwire), three increased amylose starches (SH99250, SH99073, and SB94893), and six waxy starches (CDC Alamo, CDC Fibar, CDC Candle, Waxy Betzes, CDC Rattan, and SB94912). Total starch concentration positively influenced thousand grain weight (TGW) (r(2) = 0.70, p starch concentration (r(2) = -0.80, p hydrolysis of pure starch (r(2) = -0.67, p starch concentration (r(2) = 0.46, p starch (RS) in meal and pure starch samples. The rate of starch hydrolysis was high in pure starch samples as compared to meal samples. Enzymatic hydrolysis rate both in meal and pure starch samples followed the order waxy > normal > increased amylose. Rapidly digestible starch (RDS) increased with a decrease in amylose concentration. Atomic force microscopy (AFM) analysis revealed a higher polydispersity index of amylose in CDC McGwire and increased amylose genotypes which could contribute to their reduced enzymatic hydrolysis, compared to waxy starch genotypes. Increased β-glucan and dietary fiber concentration also reduced the enzymatic hydrolysis of meal samples. An average linkage cluster analysis dendrogram revealed that variation in amylose concentration significantly (p starch concentration in meal and pure starch samples. RS is also associated with B-type granules (5-15 μm) and the amylopectin F-III (19-36 DP) fraction. In conclusion, the results suggest that barley genotype SH99250 with less decrease in grain weight in comparison to that of other increased amylose genotypes (SH99073 and SH94893) could be a promising genotype to develop cultivars with increased amylose grain starch without compromising grain weight and yield.

  7. Time-of-Flight Three Dimensional Neutron Diffraction in Transmission Mode for Mapping Crystal Grain Structures.

    Science.gov (United States)

    Cereser, Alberto; Strobl, Markus; Hall, Stephen A; Steuwer, Axel; Kiyanagi, Ryoji; Tremsin, Anton S; Knudsen, Erik B; Shinohara, Takenao; Willendrup, Peter K; da Silva Fanta, Alice Bastos; Iyengar, Srinivasan; Larsen, Peter M; Hanashima, Takayasu; Moyoshi, Taketo; Kadletz, Peter M; Krooß, Philipp; Niendorf, Thomas; Sales, Morten; Schmahl, Wolfgang W; Schmidt, Søren

    2017-08-25

    The physical properties of polycrystalline materials depend on their microstructure, which is the nano- to centimeter scale arrangement of phases and defects in their interior. Such microstructure depends on the shape, crystallographic phase and orientation, and interfacing of the grains constituting the material. This article presents a new non-destructive 3D technique to study centimeter-sized bulk samples with a spatial resolution of hundred micrometers: time-of-flight three-dimensional neutron diffraction (ToF 3DND). Compared to existing analogous X-ray diffraction techniques, ToF 3DND enables studies of samples that can be both larger in size and made of heavier elements. Moreover, ToF 3DND facilitates the use of complicated sample environments. The basic ToF 3DND setup, utilizing an imaging detector with high spatial and temporal resolution, can easily be implemented at a time-of-flight neutron beamline. The technique was developed and tested with data collected at the Materials and Life Science Experimental Facility of the Japan Proton Accelerator Complex (J-PARC) for an iron sample. We successfully reconstructed the shape of 108 grains and developed an indexing procedure. The reconstruction algorithms have been validated by reconstructing two stacked Co-Ni-Ga single crystals, and by comparison with a grain map obtained by post-mortem electron backscatter diffraction (EBSD).

  8. Effects of local texture and grain structure on the sputtering performance of tantalum

    Energy Technology Data Exchange (ETDEWEB)

    Michaluk, C.A. [Cabot Performance Metals, Boyertown, PA (United States); Field, D.P.; Nibur, K.A. [Washington State Univ., Pullman, WA (United States); Wright, S.I.; Witt, R.A. [EDX/TSL, Draper, UT (United States)

    2002-07-01

    Tantalum and tantalum-based thin films have gained precedence as the diffusion barrier for copper interconnects used in the latest generation of integrated circuits (ICs). The paper presents insight and observations on the covariance of texture and grain size of wrought tantalum sputtering targets and their influence on sputtering performance. Previous studies involving deposition trials of tantalum targets of varying metallurgical character had demonstrated that both grain size and textural homogeneity is critical for assuring reliable sputtering performance of tantalum. Subsequently, a model had been proposed to prescribe how localized texture bands and orientation clusters in tantalum are effectively resistant to sputter erosion. In this paper, results of atomic force microscopy (AFM) and orientation imaging microscopy (OIM{sup TM}) analyses on the eroded surface of a tantalum sputtering target are presented. Initial findings support the model's hypothesis regarding the erosion mechanics of crystallites with respect to grain size and discrete orientation. However, additional work is necessary to understand the formation and erosion of facet planes in polycrystalline tantalum sputtering targets. (orig.)

  9. Mixing of nanosize particles by magnetically assisted impaction techniques

    Science.gov (United States)

    Scicolone, James V.

    Nanoparticles and nanocomposites offer unique properties that arise from their small size, large surface area, and the interactions of phases at their interfaces, and are attractive for their potential to improve performance of drugs, biomaterials, catalysts and other high-value-added materials. However, a major problem in utilizing nanoparticles is that they often lose their high surface area due to grain growth. Creating nanostructured composites where two or more nanosized constituents are intimately mixed can prevent this loss in surface area, but in order to obtain homogeneous mixing, de-agglomeration of the individual nanoparticle constituents is necessary. Due to high surface area, nano-particles form very large, fractal agglomerates. The structure of these agglomerates can have a large agglomerate composed of sub-agglomerates (SA), which itself consists of primary agglomerates (PA), that contain chain or net like nano-particle structures; typically sub-micron size. Thus the final agglomerate has a hierarchical, fractal structure, and depending upon the forces applied, it could break down to a certain size scale. The agglomerates can be fairly porous and fragile or they could be quite dense, based on primary particle size and its surface energy. Thus depending upon the agglomerate strength at different length scales, one could achieve deagglomeration and subsequent mixing at varying length scale. A better understanding of this can have a major impact on the field of nano-structured materials; thus the long term objective of this project is to gain fundamental understanding of deagglomeration and mixing of nano-agglomerates. Dry mixing is in general not effective in achieving desired mixing at nanoscale, whereas wet mixing suffers from different disadvantages like nanomaterial of interest should be insoluble, has to wet the liquid, and involves additional steps of filtration and drying. This research examines the use of environmentally friendly a novel

  10. Broadband electron spin resonance in a nanosized La{sub 0.25}Ca{sub 0.75}MnO{sub 3} manganite

    Energy Technology Data Exchange (ETDEWEB)

    Fernàndez-Martínez, Antoni; García-Santiago, Antoni, E-mail: agarciasan@ub.edu; Hernàndez, Joan Manel [Grup de Magnetisme, Departament de Física Fonamental, Facultat de Física, Universitat de Barcelona, Martí i Franquès 1, planta 4, 08028 Barcelona (Spain); Institut de Nanociència i Nanotecnologia IN2UB, Universitat de Barcelona, Martí i Franquès 1, planta 3, edifici nou, 08028 Barcelona (Spain); Zhang, Tao [Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031 (China)

    2014-08-07

    The microwave response of a nanogranular La{sub 0.25}Ca{sub 0.75}MnO{sub 3} manganite has been studied by means of broadband electron spin resonance experiments performed in a commercial magnetic properties measurement system magnetometer using two purpose-built probes. The results concur with the hydrodynamic model for spin-glass systems and allow to determine the gyromagnetic ratio and the effective uniaxial magnetic anisotropy constant in a wide range of temperatures. The thermal behavior of both magnitudes provides information about structural transitions and magnetic interactions within the nanosized grains that make the sample. The experiments enable to corroborate the validity of the applied model in this kind of magnetic systems.

  11. Study on grain growth of fine grained WC-Co hardmetal by numerical calculation

    Energy Technology Data Exchange (ETDEWEB)

    Matsuoka, N. [Kobe Steel, Ltd., Kobe (Japan); Hayashi, K. [The University of Tokyo, Tokyo (Japan). Institute of industrial Science

    2000-12-15

    This paper reviews our simulation study by numerical calculation based on two-, three- and multi-grain-size models on WC grain growth in fine grained WC-Co hardmetal doped with VC. The study aimed to presume or predict the following: (1) the cause and conditions for the abnormal grain growth which occurs in some cases in the fine grained hardmetal prepared from fine WC powders with mean grain size below about 0.2{mu}m, and (2) how the mean grain size of the hardmetal varies with decreasing mean grain size of the WC starting powder to 0.1 pm or nano-meter size. The calculation results by these three kinds of models suggested the following, respectively: (1) the occurrence of the abnormal grain growth is generally substantial for WC starting powder with bimodal size-distribution and mean gram size below 0.1 - 0.2{mu}m, and not due to the non-uniform distribution of the grain growth inhibitor, (2) the introduction of middle grains caused the disappearance of small (fine) grains during sintering, leading to abruptly increase of the mean grain size of alloy, and (3) the mean grain size of alloy becomes so large as about 0.3 - 0.4{mu}m, even when the WC starting powders with nano-size as well as 0.1 {mu}m are used. (author)

  12. Porous grains of assembled ceria nanoparticles using evaporative drying: synthesis and mesoscopic structural investigations

    International Nuclear Information System (INIS)

    Sen, D.; Bahadur, J.; Mazumder, S.; Melo, J.S.; D'Souza, S.F.; Bhattacharya, S.

    2010-01-01

    Ceria is one of the most important catalytic materials that can play multiple roles owing to its ability to release and uptake oxygen under catalytic reaction conditions and thus has potential for the treatment of emissions from automobiles. In this connection, synthesis of meso/macro porous ceria grains attracts a great deal of attention. Spray drying, an indispensable method for food industry, has re-embellished itself in science and technology mainly due to two reasons: (i) to understand the evaporation induced self-assembly of nanoparticles at various physicochemical and thermodynamical conditions; (ii) to synthesize novel nanocomposites, colloidal crystals, ordered mesoporous materials etc

  13. WC-Co COATINGS AND SINTERS MODIFIED WITH NANO-SIZED TiC MICROSTRUCTURE – QUANTITATIVE EVALUATION

    Directory of Open Access Journals (Sweden)

    Hanna Myalska

    2017-03-01

    Full Text Available The different concepts of WC-Co thermally sprayed coatings improvement may be considered and the application of nanoparticles, as the mechanical strengthening addition, is one of them. Nanostructured WC-Co coatings are characterized by higher hardness than the coatings formed from micrometric WC grains; whereas coatings with bimodal distribution of particles reveal greater wear resistance than the coatings obtained exclusively from nano-sized powders. Mixed effect of the matrix reinforcement by nanoparticles and strong fix of the micron-sized WC grains was proposed as a possible reason for enhanced wear resistance of bimodal coatings. In order to obtain a bimodal distribution of particles in the material standard WC-Co (83-17 powder was mixed with nanometric TiC powder (40-100 nm. The amount of TiC in powder mixtures was in the range from 1 to 7 wt.%. The mixtures were deposited on steel substrate using HVAF method and also hot pressed in vacuum. The microstructure of obtained coatings and sinters was quantitatively evaluated. Sinters revealed more homogenous distribution of the nano-sized TiC particles than the coatings. The addition of nano-sized TiC in the case of coatings has led to the decrease of its porosity. The agglomeration of nano-sized TiC particles in the coatings results in the decrease of material’s hardness.

  14. Elaboration and Characterization of Nano-Sized AlxMoyOz/Al Thermites

    National Research Council Canada - National Science Library

    Comet, M; Spitzer, D

    2006-01-01

    ...) has been developed at the Institut franco-allemand de recherches de Saint Louis (ISL). This process consists of a new sol-gel method nano-sized mixed AlxMoyOz phases whose structure is correlated to the chemical composition...

  15. Microstructure and Mechanical Properties of Dissimilar Friction Stir Welding between Ultrafine Grained 1050 and 6061-T6 Aluminum Alloys

    Directory of Open Access Journals (Sweden)

    Yufeng Sun

    2016-10-01

    Full Text Available The ultrafine grained (UFGed 1050 Al plates with a thickness of 2 mm, which were produced by the accumulative roll bonding technique after five cycles, were friction stir butt welded to 2 mm thick 6061-T6 Al alloy plates at a different revolutionary pitch that varied from 0.5 to 1.25 mm/rev. In the stir zone, the initial nano-sized lamellar structure of the UFGed 1050 Al alloy plate transformed into an equiaxial grain structure with a larger average grain size due to the dynamic recrystallization and subsequent grain growth. However, an equiaxial grain structure with a much smaller grain size was simultaneously formed in the 6061 Al alloy plates, together with coarsening of the precipitates. Tensile tests of the welds obtained at different welding speeds revealed that two kinds of fracture modes occurred for the specimens depending on their revolutionary pitches. The maximum tensile strength was about 110 MPa and the fractures were all located in the stir zone close to the 1050 Al side.

  16. The Production of Material with Ultrafine Grain Structure in Al-Zn Alloy in the Process of Rapid Solidification

    Directory of Open Access Journals (Sweden)

    Szymaneka M.

    2014-06-01

    Full Text Available In the aluminium alloy family, Al-Zn materials with non-standard chemical composition containing Mg and Cu are a new group of alloys, mainly owing to their high strength properties. Proper choice of alloying elements, and of the method of molten metal treatment and casting enable further shaping of the properties. One of the modern methods to produce materials with submicron structure is a method of Rapid Solidification. The ribbon cast in a melt spinning device is an intermediate product for further plastic working. Using the technique of Rapid Solidification it is not possible to directly produce a solid structural material of the required shape and length. Therefore, the ribbon of an ultrafine grain or nanometric structure must be subjected to the operations of fragmentation, compaction, consolidation and hot extrusion.

  17. Characterization of Grain Quality and Starch Fine Structure of Two Japonica Rice (Oryza Sativa) Cultivars with Good Sensory Properties at Different Temperatures during the Filling Stage.

    Science.gov (United States)

    Zhang, Changquan; Zhou, Lihui; Zhu, Zhengbin; Lu, Huwen; Zhou, Xingzhong; Qian, Yiting; Li, Qianfeng; Lu, Yan; Gu, Minghong; Liu, Qiaoquan

    2016-05-25

    Temperature during the growing season is a critical factor affecting grain quality. High temperatures at grain filling affect kernel development, resulting in reduced yield, increased chalkiness, reduced amylose content, and poor milling quality. Here, we investigated the grain quality and starch structure of two japonica rice cultivars with good sensory properties grown at different temperatures during the filling stage under natural field conditions. Compared to those grown under normal conditions, rice grains grown under hot conditions showed significantly reduced eating and cooking qualities, including a higher percentage of grains with chalkiness, lower protein and amylose contents, and higher pasting properties. Under hot conditions, rice starch contained reduced long-chain amylose (MW 10(7.1) to 10(7.4)) and significantly fewer short-chain amylopectin (DP 5-12) but more intermediate- (DP 13-34) and long- (DP 45-60) chain amylopectin than under normal conditions, as well as higher crystallinity and gelatinization properties.

  18. Evaluation of Extrusion Technique for Nanosizing Liposomes

    Directory of Open Access Journals (Sweden)

    Sandy Gim Ming Ong

    2016-12-01

    Full Text Available The aim of the present study was to study the efficiency of different techniques used for nanosizing liposomes. Further, the aim was also to evaluate the effect of process parameters of extrusion techniques used for nanosizing liposomes on the size and size distribution of the resultant liposomes. To compare the efficiency of different nanosizing techniques, the following techniques were used to nanosize the liposomes: extrusion, ultrasonication, freeze-thaw sonication (FTS, sonication and homogenization. The extrusion technique was found to be the most efficient, followed by FTS, ultrasonication, sonication and homogenization. The extruder used in the present study was fabricated using readily available and relatively inexpensive apparatus. Process parameters were varied in extrusion technique to study their effect on the size and size distribution of extruded liposomes. The results obtained indicated that increase in the flow rate of the extrusion process decreased the size of extruded liposomes however the size homogeneity was negatively impacted. Furthermore, the liposome size and distribution was found to decline with decreasing membrane pore size. It was found that by extruding through a filter with a pore size of 0.2 µm and above, the liposomes produced were smaller than the pore size, whereas, when they were extruded through a filter with a pore size of less than 0.2 µm the resultant liposomes were slightly bigger than the nominal pore size. Besides that, increment of extrusion temperature above transition temperature of the pro-liposome had no effect on the size and size distribution of the extruded liposomes. In conclusion, the extrusion technique was reproducible and effective among all the methods evaluated. Furthermore, processing parameters used in extrusion technique would affect the size and size distribution of liposomes. Therefore, the process parameters need to be optimized to obtain a desirable size range and homogeneity

  19. Nanosizing techniques for improving bioavailability of drugs.

    Science.gov (United States)

    Al-Kassas, Raida; Bansal, Mahima; Shaw, John

    2017-08-28

    The poor solubility of significant number of Active Pharmaceutical Ingredients (APIs) has become a major challenge in the drug development process. Drugs with poor solubility are difficult to formulate by conventional methods and often show poor bioavailability. In the last decade, attention has been focused on developing nanocrystals for poorly water soluble drugs using nanosizing techniques. Nanosizing is a pharmaceutical process that changes the size of a drug to the sub-micron range in an attempt to increase its surface area and consequently its dissolution rate and bioavailability. The effectiveness of nanocrystal drugs is evidenced by the fact that six FDA approved nanocrystal drugs are already on the market. The bioavailabilities of these preparations have been significantly improved compared to their conventional dosage forms. There are two main approaches for preparation of drug nanocrystals; these are the top-down and bottom-up techniques. Top-down techniques have been successfully used in both lab scale and commercial scale manufacture. Bottom-up approaches have not yet been used at a commercial level, however, these techniques have been found to produce narrow sized distribution nanocrystals using simple methods. Bottom-up techniques have been also used in combination with top-down processes to produce drug nanoparticles. The main aim of this review article is to discuss the various methods for nanosizing drugs to improve their bioavailabilities. Copyright © 2017 Elsevier B.V. All rights reserved.

  20. Synergistic Effect of Nitrogen and Refractory Material on TiN Formation and Equiaxed Grain Structure of Ferritic Stainless Steel

    Science.gov (United States)

    Lee, Mun Hyung; Park, Joo Hyun

    2018-03-01

    The effect of nitrogen content on the formation of an equiaxed solidification structure of Fe-16Cr steel was investigated. Moreover, two different kinds of refractory materials, i.e., alumina and magnesia, were employed to control the type of oxide inclusion. The characteristics of TiN(-oxide) inclusions were quantitatively analyzed in both molten steel and solidified samples. When the melting was carried out in the alumina refractory, the grain size continuously decreased with increasing nitrogen content. However, a minimum grain size was observed at a specific nitrogen content (approx. 150 ppm) when the steel was melted in the magnesia refractory. Most of the single TiN particles had a cuboidal shape and fine irregularly shaped particles were located along the grain boundary due to the microsegregation of Ti at the grain boundary during solidification. The type of TiN-oxide hybrid inclusion was strongly affected by the refractory material where Al2O3-TiN and MgAl2O4-TiN hybrid-type inclusions were obtained in the alumina and magnesia refractory experiments, respectively. The formation of oxide inclusions was well predicted by thermochemical computations and it was commonly found that oxide particles were initially formed, followed by the nucleation and growth of TiN. When the nitrogen content increased, the number density of TiN linearly increased in the alumina refractory experiments. However, the number of TiN exhibits a maximum at about [N] = 150 ppm, at which a minimum grain size was obtained in the magnesia refractory experiments. Therefore, the larger the number density of TiN, the smaller the primary grain size after solidification. The number density of TiN in the steel melted in the magnesia refractory was greater than that in the steel melted in the alumina refractory at given Ti and N contents, which was due to the lower planar lattice disregistry of MgAl2O4-TiN interface rather than that of Al2O3-TiN interface. When ΔT TiN (= difference between the

  1. SIRAH: a structurally unbiased coarse-grained force field for proteins with aqueous solvation and long-range electrostatics.

    Science.gov (United States)

    Darré, Leonardo; Machado, Matías Rodrigo; Brandner, Astrid Febe; González, Humberto Carlos; Ferreira, Sebastián; Pantano, Sergio

    2015-02-10

    Modeling of macromolecular structures and interactions represents an important challenge for computational biology, involving different time and length scales. However, this task can be facilitated through the use of coarse-grained (CG) models, which reduce the number of degrees of freedom and allow efficient exploration of complex conformational spaces. This article presents a new CG protein model named SIRAH, developed to work with explicit solvent and to capture sequence, temperature, and ionic strength effects in a topologically unbiased manner. SIRAH is implemented in GROMACS, and interactions are calculated using a standard pairwise Hamiltonian for classical molecular dynamics simulations. We present a set of simulations that test the capability of SIRAH to produce a qualitatively correct solvation on different amino acids, hydrophilic/hydrophobic interactions, and long-range electrostatic recognition leading to spontaneous association of unstructured peptides and stable structures of single polypeptides and protein-protein complexes.

  2. Mechanical Behavior of Ultrafine Gradient Grain Structures Produced via Ambient and Cryogenic Surface Mechanical Attrition Treatment in Iron

    Directory of Open Access Journals (Sweden)

    Heather A. Murdoch

    2015-06-01

    Full Text Available Ambient and cryogenic surface mechanical attrition treatments (SMAT are applied to bcc iron plate. Both processes result in significant surface grain refinement down to the ultrafine-grained regime; the cryogenic treatment results in a 45% greater grain size reduction. However, the refined region is shallower in the cryogenic SMAT process. The tensile ductility of the grain size gradient remains low (<10%, in line with the expected behavior of the refined surface grains. Good tensile ductility in a grain size gradient requires the continuation of the gradient into an undeformed region.

  3. Giant grains

    International Nuclear Information System (INIS)

    Leitch-Devlin, M.A.; Millar, T.J.; Williams, D.A.

    1976-01-01

    Infrared observations of the Orion nebula have been interpreted by Rowan-Robinson (1975) to imply the existence of 'giant' grains, radius approximately 10 -2 cm, throughout a volume about a parsec in diameter. Although Rowan-Robinson's model of the nebula has been criticized and the presence of such grains in Orion is disputed, the proposition is accepted, that they exist, and in this paper situations in which giant grains could arise are examined. It is found that, while a giant-grain component to the interstellar grain density may exist, it is difficult to understand how giant grains arise to the extent apparently required by the Orion nebula model. (Auth.)

  4. Modern state of the structural perfection of hopper cars for transportation of grains and their development prospects

    Directory of Open Access Journals (Sweden)

    О. В. Фомін

    2017-07-01

    Full Text Available The analysis of the modern fleet of hopper cars used for grain transportation in Ukraine has been done. The analysis revealed the need to create a new generation of wagons to upgrade the fleet of freight cars and reduce the number of specialized cars with expired service life. The structural features of various hoppers used for grain transportation as compared to the other types of hoppers as well as the prospects for their development have been covered. The analysis of the hopper cars fleet used for grain transportation has led to the conclusion that Car 19-7053 is losing competitiveness in carrying capacity. The new generation of «teardrop» shape cars with increased volume due to the highest quality using the design envelope has been proposed. The newly designed car is supposed to be of the same length and base as the prototype model. Thus, the length of the consist remaining the same but there being more cars in it with increased body volume, capacity and small length of the cars, it will be possible to carry more goods. The article noted that such characteristics will pomote the competitiveness of the designed car. The article outlines the design requirements on new-generation railcars, namely, the increase in capacity and better cargo accommodation thanks to the rational design, the use of strong corrosion-resistant steels, aluminum alloys; the improvement of adaptation of the cars to the complex mechanization of loading and unloading operations and the maximum reduction of manual labor in these operations; less material and labour consumption in manufacturing through better manufacturability of the design, maximum unification of units and parts; the strength and reliability of the car under operating conditions and etc. We determined the optimal constructive solutions for innovative, competitive freight rolling stock. The following materials are the base to create the bunker hoppers or to modernize the existing models and to improve the

  5. WC-Co COATINGS AND SINTERS MODIFIED WITH NANO-SIZED TiC MICROSTRUCTURE – QUANTITATIVE EVALUATION

    OpenAIRE

    Hanna Myalska; Bartłomiej Dybowski; Grzegorz Moskal

    2017-01-01

    The different concepts of WC-Co thermally sprayed coatings improvement may be considered and the application of nanoparticles, as the mechanical strengthening addition, is one of them. Nanostructured WC-Co coatings are characterized by higher hardness than the coatings formed from micrometric WC grains; whereas coatings with bimodal distribution of particles reveal greater wear resistance than the coatings obtained exclusively from nano-sized powders. Mixed effect of the matrix reinforcement ...

  6. Fourier transform infrared microspectroscopic analysis of the effects of cereal type and variety within a type of grain on structural makeup in relation to rumen degradation kinetics.

    Science.gov (United States)

    Walker, Amanda M; Yu, Peiqiang; Christensen, Colleen R; Christensen, David A; McKinnon, John J

    2009-08-12

    The objectives of this study were to use Fourier transform infrared microspectroscopy (FTIRM) to determine structural makeup (features) of cereal grain endosperm tissue and to reveal and identify differences in protein and carbohydrate structural makeup between different cereal types (corn vs barley) and between different varieties within a grain (barley CDC Bold, CDC Dolly, Harrington, and Valier). Another objective was to investigate how these structural features relate to rumen degradation kinetics. The items assessed included (1) structural differences in protein amide I to nonstructural carbohydrate (NSC, starch) intensity and ratio within cellular dimensions; (2) molecular structural differences in the secondary structure profile of protein, alpha-helix, beta-sheet, and their ratio; (3) structural differences in NSC to amide I ratio profile. From the results, it was observed that (1) comparison between grain types [corn (cv. Pioneer 39P78) vs barley (cv. Harrington)] showed significant differences in structural makeup in terms of NSC, amide I to NSC ratio, and rumen degradation kinetics (degradation ratio, effective degradability of dry matter, protein and NSC) (P makeup in terms of amide I, NSC, amide I to NSC ratio, alpha-helix and beta-sheet protein structures, and rumen degradation kinetics (effective degradability of dry matter, protein, and NSC) (P makeup differences between cereal types and between different varieties within a type of grain could be revealed. These structural makeup differences were related to the rate and extent of rumen degradation.

  7. Effects of structural heterogeneity of nanostructured copper on the evolution of the sizes of recrystallized grains during annealing

    DEFF Research Database (Denmark)

    Lin, Fengxiang; Zhang, Yubin; Pantleon, Wolfgang

    2015-01-01

    Recrystallization in copper deformed by dynamic plastic deformation was investigated using electron backscatter diffraction. The recrystallized grains show a broad size distribution. The kinetics of grains of different sizes is observed to be different: In the beginning of recrystallization, the ...

  8. Synthesis of nano-sized β-tricalcium phosphate via wet precipitation

    Directory of Open Access Journals (Sweden)

    Bahman Mirhadi

    2011-12-01

    Full Text Available Nano-size β-tricalcium phosphate powders with average grain size of 50 nm were prepared by the wet chemical precipitation method with calcium nitrate and diammonium hydrogen phosphate as calcium and phosphorus precursors, respectively. The pH of the system was maintained at 8 and 10.8 by adding of sodium hydroxide. Filtered cake was dried at 80°C and calcined at 700°C. The dried and calcined powders were characterized using X-ray diffractrometry (XRD, Fourier transform infrared spectroscopy (FTIR, inductively coupled plasma atomic emission spectroscopy (ICPAES and scanning electron microscopy (SEM.

  9. Effect of grain structure on phase transformation events in Inconel 718

    International Nuclear Information System (INIS)

    Dahotre, N.B.; McCay, M.H.; McCay, T.D.; Hubbard, C.R.; Porter, W.D.; Cavin, O.B.

    1993-01-01

    Nickel base superalloys generally obtain their maximum strength from γ'[Ni 3 (Al,Ti)] and γ double-prime[Ni 3 (Al,Ti,Nb)] age hardening precipitates. During welding the γ' precipitation is very rapid and can lead to strain age cracking, which limits weldability. Thus, the weldable superalloys are limited in their Al and Ti content and hence in their ultimate strength. One method of increasing the ultimate strength of a superalloy, while avoiding strain age cracking, is the addition of Nb. This produces Ni 3 Nb(δ), and when used in conjunction with a limited amount of γ', results in an increase in strength without strain age cracking problems. The γ double-prime does not lead to strain age cracking because its transformation kinetics are too slow for formation during ordinary welding practice. This combination of γ' and γ double-prime strengthening is incorporated into the Inconel 718 alloys. The research reported herein was undertaken to determine the time-temperature response of Inconel 718 in the as-cast, wrought and wrought-grain-grown states, using differential thermal analysis (DTA). It is essential to locate the temperature regime of each phase transformation event and to study the transformation sequence in order to tailor sound laser welding techniques for Inconel 718. In the present research, a DTA technique was employed to study both the phase transformation events and the phase transformation sequence as a function of the pre-existing condition of the alloy

  10. Coarse-Grained Conformational Sampling of Protein Structure Improves the Fit to Experimental Hydrogen-Exchange Data.

    Science.gov (United States)

    Devaurs, Didier; Antunes, Dinler A; Papanastasiou, Malvina; Moll, Mark; Ricklin, Daniel; Lambris, John D; Kavraki, Lydia E

    2017-01-01

    Monitoring hydrogen/deuterium exchange (HDX) undergone by a protein in solution produces experimental data that translates into valuable information about the protein's structure. Data produced by HDX experiments is often interpreted using a crystal structure of the protein, when available. However, it has been shown that the correspondence between experimental HDX data and crystal structures is often not satisfactory. This creates difficulties when trying to perform a structural analysis of the HDX data. In this paper, we evaluate several strategies to obtain a conformation providing a good fit to the experimental HDX data, which is a premise of an accurate structural analysis. We show that performing molecular dynamics simulations can be inadequate to obtain such conformations, and we propose a novel methodology involving a coarse-grained conformational sampling approach instead. By extensively exploring the intrinsic flexibility of a protein with this approach, we produce a conformational ensemble from which we extract a single conformation providing a good fit to the experimental HDX data. We successfully demonstrate the applicability of our method to four small and medium-sized proteins.

  11. Structuring effects in binary nucleation : Molecular dynamics simulatons and coarse-grained nucleation theory

    NARCIS (Netherlands)

    Braun, S.; Kraska, T.; Kalikmanov, V.I.

    2013-01-01

    Binary clusters formed by vapor-liquid nucleation are frequently nonhomogeneous objects in which components are not well mixed. The structure of a cluster plays an important role in nucleation and cluster growth. We demonstrate structuring effects by studying high-pressure nucleation and cluster

  12. Analysis of defect structure in silicon. Effect of grain boundary density on carrier mobility in UCP material

    Science.gov (United States)

    Dunn, J.; Stringfellow, G. B.; Natesh, R.

    1982-01-01

    The relationships between hole mobility and grain boundary density were studied. Mobility was measured using the van der Pauw technique, and grain boundary density was measured using a quantitative microscopy technique. Mobility was found to decrease with increasing grain boundary density.

  13. Grain Boundary Segregation in Metals

    CERN Document Server

    Lejcek, Pavel

    2010-01-01

    Grain boundaries are important structural components of polycrystalline materials used in the vast majority of technical applications. Because grain boundaries form a continuous network throughout such materials, their properties may limit their practical use. One of the serious phenomena which evoke these limitations is the grain boundary segregation of impurities. It results in the loss of grain boundary cohesion and consequently, in brittle fracture of the materials. The current book deals with fundamentals of grain boundary segregation in metallic materials and its relationship to the grain boundary structure, classification and other materials properties.

  14. Multiscale pore structure and constitutive models of fine-grained rocks

    Science.gov (United States)

    Heath, J. E.; Dewers, T. A.; Shields, E. A.; Yoon, H.; Milliken, K. L.

    2017-12-01

    A foundational concept of continuum poromechanics is the representative elementary volume or REV: an amount of material large enough that pore- or grain-scale fluctuations in relevant properties are dissipated to a definable mean, but smaller than length scales of heterogeneity. We determine 2D-equivalent representative elementary areas (REAs) of pore areal fraction of three major types of mudrocks by applying multi-beam scanning electron microscopy (mSEM) to obtain terapixel image mosaics. Image analysis obtains pore areal fraction and pore size and shape as a function of progressively larger measurement areas. Using backscattering imaging and mSEM data, pores are identified by the components within which they occur, such as in organics or the clastic matrix. We correlate pore areal fraction with nano-indentation, micropillar compression, and axysimmetic testing at multiple length scales on a terrigenous-argillaceous mudrock sample. The combined data set is used to: investigate representative elementary volumes (and areas for the 2D images); determine if scale separation occurs; and determine if transport and mechanical properties at a given length scale can be statistically defined. Clear scale separation occurs between REAs and observable heterogeneity in two of the samples. A highly-laminated sample exhibits fine-scale heterogeneity and an overlapping in scales, in which case typical continuum assumptions on statistical variability may break down. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology and Engineering Solutions of Sandia LLC, a wholly owned subsidiary of Honeywell International Inc. for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA0003525.

  15. Nano-sized aerosol classification, collection and analysis--method development using dental composite materials.

    Science.gov (United States)

    Bogdan, Axel; Buckett, Mary I; Japuntich, Daniel A

    2014-01-01

    This article presents a methodical approach for generating, collecting, and analyzing nano-size (1-100 nm) aerosol from abraded dental composite materials. Existing aerosol sampling instruments were combined with a custom-made sampling chamber to create and sample a fresh, steady-state aerosol size distribution before significant Brownian coagulation. Morphological, size, and compositional information was obtained by Transmission Electron Microscopy (TEM). To create samples sizes suitable for TEM analysis, aerosol concentrations in the test chamber had to be much higher than one would typically expect in a dental office, and therefore, these results do not represent patient or dental personnel exposures. Results show that nano-size aerosol was produced by the dental drill alone, with and without cooling water drip, prior to abrasion of dental composite. During abrasion, aerosol generation seemed independent of the percent filler load of the restorative material and the operator who generated the test aerosol. TEM investigation showed that "chunks" of filler and resin were generated in the nano-size range; however, free nano-size filler particles were not observed. The majority of observed particles consisted of oil droplets, ash, and graphitic structures.

  16. Enhanced dissolution of nanosize CuO in the presence of meso- and micro-pores

    International Nuclear Information System (INIS)

    Huang, C.-H.; Wang, H. Paul; Huang, H.-L.; Hsiung, T.-L.; Tang, F.-C.

    2007-01-01

    Dissolution of nanosize CuO in the chemical mechanical planarization (CMP) waste water in the presence of micropores (0.74 nm) of Y and mesopores (4 nm) of MCM-41 has been studied by X-ray absorption near edge structure (XANES) spectroscopy in the present work. Since pore openings of Y and MCM-41 are much less than the size of nano-CuO (about 13 nm) in the CMP waste water, CuO is not able to be incorporated directly into the pore systems. At least two reaction paths might be involved in the incorporation process: (1) dissolution of CuO and (2) incorporation of Cu 2+ into Y and MCM-41. Experimentally, during the incorporation process, Y might possess equivalent electric fields of 20-50 V/cm for dissolution of nanosize CuO. Interestingly we found that dissolution of nanosize CuO in the CMP waste water was enhanced, for instance, about 65% and 87% of nanosize CuO were incorporated (as Cu 2+ ) and incorporated into Y and MCM-41, respectively

  17. Structural variation of alpha-synuclein with temperature by a coarse-grained approach with knowledge-based interactions

    Directory of Open Access Journals (Sweden)

    Peter Mirau

    2015-09-01

    Full Text Available Despite enormous efforts, our understanding the structure and dynamics of α-synuclein (ASN, a disordered protein (that plays a key role in neurodegenerative disease is far from complete. In order to better understand sequence-structure-property relationships in α-SYNUCLEIN we have developed a coarse-grained model using knowledge-based residue-residue interactions and used it to study the structure of free ASN as a function of temperature (T with a large-scale Monte Carlo simulation. Snapshots of the simulation and contour contact maps show changes in structure formation due to self-assembly as a function of temperature. Variations in the residue mobility profiles reveal clear distinction among three segments along the protein sequence. The N-terminal (1-60 and C-terminal (96-140 regions contain the least mobile residues, which are separated by the higher mobility non-amyloid component (NAC (61-95. Our analysis of the intra-protein contact profile shows a higher frequency of residue aggregation (clumping in the N-terminal region relative to that in the C-terminal region, with little or no aggregation in the NAC region. The radius of gyration (Rg of ASN decays monotonically with decreasing the temperature, consistent with the finding of Allison et al. (JACS, 2009. Our analysis of the structure function provides an insight into the mass (N distribution of ASN, and the dimensionality (D of the structure as a function of temperature. We find that the globular structure with D ≈ 3 at low T, a random coil, D ≈ 2 at high T and in between (2 ≤ D ≤ 3 at the intermediate temperatures. The magnitudes of D are in agreement with experimental estimates (J. Biological Chem 2002.

  18. Développement d'une approche couplée Automates Cellulaires – Eléments Finis pour la modélisation du développement des structures de grains en soudage TIG A coupled Cellular Automaton – Finite Element approach for the modelling of grain structure development in TIG welding

    Directory of Open Access Journals (Sweden)

    Chen Shijia

    2013-11-01

    Full Text Available Dans le domaine du soudage, les propriétés finales du cordon sont fortement liées à la structure de grains développée au cours des procédés de fusion / resolidification. La maîtrise des propriétés de l'assemblage final passe ainsi par une amélioration de la connaissance de sa structure de ce domaine. Dans cet objectif, un modèle couplé Automates Cellulaires – Eléments Finis est proposé pour simuler le développement, en volume, de cette structure, dans le cadre du soudage TIG. Ce modèle est appliqué au soudage d'acier Duplex 2202 et l'évolution de la structure de grains selon les paramètres procédés est discutée. In the welding area, the final properties of the weld bead are mainly induced by the grain structure developed during the melting and solidification steps. The mastery of the properties of the joining will be achieved with a better knowledge of the developed grain structure. A 3D coupled Cellular Automaton – Finite Element model is proposed in order to simulate the grains development in TIG process. This model is applied to the welding of a duplex stainless steel grade. The grain structure evolution is discussed for the various process parameters.

  19. Nanosized f.c.c. thallium inclusions in aluminium

    International Nuclear Information System (INIS)

    Johnson, E.; Johansen, A.; Thoft, N.B.; Andersen, H.H.; Sarholt-Kristensen, L.

    1993-01-01

    Ion implantation of pure aluminium with thallium induces the formation of nanosized crystalline inclusions of thallium with a f.c.c. structure. The size of the inclusions depends on the implantation conditions and subsequent annealing treatments and is typically in the range from 1 to 10 nm. The inclusions are aligned topotactically with the aluminium matrix with a cube-cube orientation relationship and they have a truncated octahedral shape bounded by {111} and {001} planes. The lattice parameter of the f.c.c. thallium inclusions is 0.484 ± 0.002 nm, which is slightly but significantly larger than in the high-pressure f.c.c. thallium phase known to be stable above 3.8 GPa. (Author)

  20. Probabilistic Equilibrium Sampling of Protein Structures from SAXS Data and a Coarse Grained Debye Formula

    DEFF Research Database (Denmark)

    Andreetta, Christian

    The present work describes the design and the implementation of a protocol for arbitrary precision computation of Small Angle X-ray Scattering (SAXS) profiles, and its inclusion in a probabilistic framework for protein structure determination. This protocol identifies a set of maximum-likelihood ......The present work describes the design and the implementation of a protocol for arbitrary precision computation of Small Angle X-ray Scattering (SAXS) profiles, and its inclusion in a probabilistic framework for protein structure determination. This protocol identifies a set of maximum...... of protein structures all fitting the experimental data. For the first time, we describe in full atomic detail a set of different conformations attainable by flexible polypeptides in solution. This method is not limited by assumptions in shape or size of the samples. It allows therefore to investigate...

  1. Use of small-angle neutron scattering to investigate modifications of internal structure in self-assembled grains of nanoparticles synthesized by spray drying.

    Science.gov (United States)

    Sen, D; Khan, Arshad; Bahadur, J; Mazumder, S; Sapra, B K

    2010-07-01

    Micrometric spherical grains consisting of self-assembled silica nanoparticles have been synthesized by spray drying of colloidal suspension. Inter-particle correlation and available specific surface area of silica and void interfaces, in the assembled grains, were modified by addition of electrolyte in initial colloidal dispersion prior to self-assembly process but keeping the overall spherical shape of the assembled grains un-altered. While the external morphology of the assembled grains was probed by scanning electron microscopy, small-angle neutron scattering technique has been employed to investigate the modifications in the internal structure and the inter-particle correlation inside the assembled grains. It is revealed that a sticky hard sphere type of inter-particle correlation between the constituent particles gets altered to a fractal type of correlation with addition of electrolyte. Further, the specific surface area of the silica-void interface gets somewhat enhanced by addition of electrolyte and particularly at higher electrolyte concentration due to formation of some hollow and buckled assembled grains. Copyright 2010 Elsevier Inc. All rights reserved.

  2. Effects of nanosized constriction on thermal transport properties of graphene

    Science.gov (United States)

    2014-01-01

    Thermal transport properties of graphene with nanosized constrictions are investigated using nonequilibrium molecular dynamics simulations. The results show that the nanosized constrictions have a significant influence on the thermal transport properties of graphene. The thermal resistance of the nanosized constrictions is on the order of 107 to 109 K/W at 150 K, which reduces the thermal conductivity by 7.7% to 90.4%. It is also found that the constriction resistance is inversely proportional to the width of the constriction and independent of the heat current. Moreover, we developed an analytical model for the ballistic thermal resistance of the nanosized constrictions in two-dimensional nanosystems. The theoretical prediction agrees well with the simulation results in this paper, which suggests that the thermal transport across the nanosized constrictions in two-dimensional nanosystems is ballistic in nature. PACS 65.80.CK; 61.48.Gh; 63.20.kp; 31.15.xv PMID:25232292

  3. Probabilistic Equilibrium Sampling of Protein Structures from SAXS Data and a Coarse Grained Debye Formula

    DEFF Research Database (Denmark)

    Andreetta, Christian

    ) is also provided. Empowered by data available from SAXS experiments, by this protocol as a forward model for Markov Chain Monte Carlo (MCMC) simulations, by a continuous model of the peptide bond (TorusDBN) and the conformations of side chains (COMPAS and BasiliskDBN), we are able to propose ensembles...... of protein structures all fitting the experimental data. For the first time, we describe in full atomic detail a set of different conformations attainable by flexible polypeptides in solution. This method is not limited by assumptions in shape or size of the samples. It allows therefore to investigate...

  4. Effects of structural and chemical disorders on the vis/UV spectra of carbonaceous interstellar grains

    Science.gov (United States)

    Papoular, Robert J.; Yuan, Shengjun; Roldán, Rafael; Katsnelson, Mikhail I.; Papoular, Renaud

    2013-07-01

    The recent spectacular progress in the experimental and theoretical understanding of graphene, the basic constituent of graphite, is applied here to compute, from first principles, the ultraviolet extinction of nanoparticles made of stacks of graphene layers. The theory also covers cases where graphene is affected by structural, chemical or orientation disorder, each disorder type being quantitatively defined by a single parameter. The extinction bumps carried by such model materials are found to have positions and widths falling in the same range as the known astronomical 2175 Å features: as the disorder parameter increases, the bump width increases from 0.85 to 2.5 μm-1, while its peak position shifts from 4.65 to 4.75 μm-1. Moderate degrees of disorder are enough to cover the range of widths of the vast majority of observed bumps (0.75 to 1.3 μm-1). Higher degrees account for outliers, also observed in the sky. The introduction of structural or chemical disorder amounts to changing the initial sp2 bondings into sp3 or sp1, so the optical properties of the model material become similar to those of the more or less amorphous carbon-rich materials studied in the laboratory: a-C, a-C:H, HAC, ACH, coals, etc. The present treatment thus bridges gaps between physically different model materials.

  5. Structure optimization of a grain impact piezoelectric sensor and its application for monitoring separation losses on tangential-axial combine harvesters.

    Science.gov (United States)

    Liang, Zhenwei; Li, Yaoming; Zhao, Zhan; Xu, Lizhang

    2015-01-14

    Grain separation losses is a key parameter to weigh the performance of combine harvesters, and also a dominant factor for automatically adjusting their major working parameters. The traditional separation losses monitoring method mainly rely on manual efforts, which require a high labor intensity. With recent advancements in sensor technology, electronics and computational processing power, this paper presents an indirect method for monitoring grain separation losses in tangential-axial combine harvesters in real-time. Firstly, we developed a mathematical monitoring model based on detailed comparative data analysis of different feeding quantities. Then, we developed a grain impact piezoelectric sensor utilizing a YT-5 piezoelectric ceramic as the sensing element, and a signal process circuit designed according to differences in voltage amplitude and rise time of collision signals. To improve the sensor performance, theoretical analysis was performed from a structural vibration point of view, and the optimal sensor structural has been selected. Grain collide experiments have shown that the sensor performance was greatly improved. Finally, we installed the sensor on a tangential-longitudinal axial combine harvester, and grain separation losses monitoring experiments were carried out in North China, which results have shown that the monitoring method was feasible, and the biggest measurement relative error was 4.63% when harvesting rice.

  6. Bolted join strength under parallel to grain double shear in guadua angustifolia structures

    Directory of Open Access Journals (Sweden)

    Fabián Augusto Lamus Báez

    2014-01-01

    Full Text Available In a bolted joint of structures that use Guadua angustifolia as the main supporting material, the resistance to the double metal shears paralleled to fiber could be influenced by an extensive list of parameters including parallel to fiber crushing resistance, parallel to metal fiber resistance of the wall and the contact area between elements in the joint. This paper presents experimental results for the resistance to the double metal shears paralleled to fiber, when the element is loaded under compression, for different culm diameters. Moreover, we studied the influence of the bolt diameter and culm thickness in the joint resistance. The tests were conducted on specimens of Guadua angustifolia with variable diameters between seven and fourteen centimeter where bolts of 3/8, 1/2 and 3/4" diameter were used. The Guadua tested came from the outskirts of Armenia in Colombia. It was found that the great amount of the double metal shears paralleled to fiber in the joint is provided by parallel to fiber crushing resistance of the Guadua.

  7. Three-dimensional grain structure of sintered bulk strontium titanate from X-ray diffraction contrast tomography

    DEFF Research Database (Denmark)

    Syha, M.; Rheinheimer, W.; Bäurer, M.

    2012-01-01

    The three-dimensional grain boundary network of sintered bulk strontium titanate is reconstructed using X-ray diffraction contrast tomography, a non-destructive technique for determining the grain shape and crystallographic orientation in polycrystals that is ideally suited for detailed studies...

  8. Synthesis, characterization and properties of nano-sized transition metal oxides

    Science.gov (United States)

    Yin, Ming

    2005-12-01

    Chapter 1. A General introduction to the emerging field of nanomaterials is presented highlighting the category of transition metal oxides. The wide variety of structures, properties, and phenomena of transition metal oxides are stressed. Nano-sized transition metal oxides are presented as systems for fundamental and application research. Examples of individual transition metal oxides are provided. Important developments in the synthesis and characterization of nano-sized transition metal oxides that have contributed to this work are reviewed. A novel synthesis (TDMA) is developed and successfully applied to the synthesis of transition metal oxide nanocrystals. Chapter 2. The synthesis of monodisperse cubic wuestite FexO nanocrystals is presented. The influence of reaction temperature and the molar ratio of surfactant to iron precursor was investigated, in order to further understand the ability to control particle size and monodispersity. In contrast to bulk material, it is also found that the nano-sized ligand-capped wuestite FexO particles were stable at room temperature. The procedure enable the collection of highly monodisperse nanocrystals of variable and uniform diameters as a function of time. Sharp Hancock analysis indicates that the reaction proceeds by a diffusion limited mechanism. Routes to control the size of gamma-Fe2O3 nanocrystals are also presented. gamma-Fe2O3 nanocrystals from 6 nm to 12 nm in diameter with uniform size, shape, consistent crystal structure were prepared. Chapter 3. A simple reaction to prepare monodisperse MnO nanocrystals is presented. MnO nanocrystals was prepared by thermal decomposition of manganese acetate in the presence of oleic acid at high temperature and by following annealing. Particles with different sizes and shapes were obtained by controlling annealing time. The morphology of MnO nanocrystals was studied based on their crystal structure and surface energy. SQUID measurement shows ferromagnetic magnetism at low

  9. Effect of high temperature on cell structure and gluten protein accumulation in the endosperm of the developing wheat (Triticum aestivum L.) grain

    Science.gov (United States)

    High temperature during grain fill is one of the more significant environmental factors that alters wheat yield and flour quality. To identify endosperm responses to high temperature, cell structure and gluten protein composition were investigated in developing wheat (Triticum aestivum L. cv. Butte ...

  10. The effect of high temperature on cell structure and gluten protein accumulation in the endosperm of the developing wheat (Triticum aestivum L.) grain

    Science.gov (United States)

    High temperature during grain fill is one of the more significant environmental factors that alters wheat yield and flour quality. To identify endosperm responses to high temperature, cell structure and gluten protein composition were investigated in developing wheat (Triticum aestivum L. cv. Butte ...

  11. Application of physical and numerical simulations for interpretation of peripheral coarse grain structure during hot extrusion of AA7020 aluminum alloy

    NARCIS (Netherlands)

    Eivani, A.R.; Zhou, J.

    2017-01-01

    In this research, hot compression test is used to simulate the metallurgical phenomena occurring in the peripheral part of AA7020 aluminum alloy extrudates during hot extrusion and leading to the formation of the peripheral coarse grain (PCG) structure. The temperature profiles at a tracking

  12. Morphology and grain structure evolution during epitaxial growth of Ag films on native-oxide-covered Si surface

    International Nuclear Information System (INIS)

    Hur, Tae-Bong; Kim, Hong Koo; Perello, David; Yun, Minhee; Kulovits, Andreas; Wiezorek, Joerg

    2008-01-01

    Epitaxial nanocrystalline Ag films were grown on initially native-oxide-covered Si(001) substrates using radio-frequency magnetron sputtering. Mechanisms of grain growth and morphology evolution were investigated. An epitaxially oriented Ag layer (∼5 nm thick) formed on the oxide-desorbed Si surface during the initial growth phase. After a period of growth instability, characterized as kinetic roughening, grain growth stagnation, and increase of step-edge density, a layer of nanocrystalline Ag grains with a uniform size distribution appeared on the quasi-two-dimensional layer. This hierarchical process of film formation is attributed to the dynamic interplay between incoming energetic Ag particles and native oxide. The cyclic interaction (desorption and migration) of the oxide with the growing Ag film is found to play a crucial role in the characteristic evolution of grain growth and morphology change involving an interval of grain growth stagnation

  13. Effect of pulsed and continuous ultrasound on structural and magnetic properties of nano-sized Ni0.4Cu0.2Zn0.4Fe2O4 ferrite

    Science.gov (United States)

    Hassen, Harzali; Adel, Megriche; Arbi, Mgaidi

    2018-03-01

    Ultrasound-assisted co-precipitation has been used to prepare nano-sized Ni0.4Cu0.2Zn0.4Fe2O4 ferrite. Continuous (C-US) and pulsed (P-US) ultrasound modes are used at constant frequency = 20 kHz, reaction time = 2 h and pulse durations of 10 s on and 10 s off. All experiments were conducted at two temperatures 90 and 100°C. Samples were characterized by X-ray diffraction (XRD), Fourier transform spectroscopy (FT-IR), N2 adsorption isotherms at 77 k analysis (BET), transmission electron microscopy (TEM) and vibrating sample magnetometry (VSM) techniques. A nanocrystalline single-phase with particle size in the range 12-18 nm is obtained in both modes: continuous and pulsed ultrasound mode. FT-IR measurements show two absorption bands assigned to the tetrahedral and octahedral vibrations (ν1 and ν2) characteristics of cubic spinel ferrite. The specific surface area (S BET) is in the range of 110-140 m2 g-1 and an average pore size between 5.5 and 6.5 nm. The lowest values are obtained in pulsed mode. Finally, this work shows that the magnetic properties are affected by the ultrasound conditions, without affecting the particle shape. The saturation magnetization (Ms) values obtained for all samples are comparable. In P-US mode, the saturation magnetization (Ms) increases as temperature increases. Moreover, P-US mode opens a new avenue for synthesis of NiCuZn ferrites.

  14. Genetic diversity, population structure and marker-trait associations for agronomic and grain traits in wild diploid wheat Triticum urartu.

    Science.gov (United States)

    Wang, Xin; Luo, Guangbin; Yang, Wenlong; Li, Yiwen; Sun, Jiazhu; Zhan, Kehui; Liu, Dongcheng; Zhang, Aimin

    2017-07-01

    Wild diploid wheat, Triticum urartu (T. urartu) is the progenitor of bread wheat, and understanding its genetic diversity and genome function will provide considerable reference for dissecting genomic information of common wheat. In this study, we investigated the morphological and genetic diversity and population structure of 238 T. urartu accessions collected from different geographic regions. This collection had 19.37 alleles per SSR locus and its polymorphic information content (PIC) value was 0.76, and the PIC and Nei's gene diversity (GD) of high-molecular-weight glutenin subunits (HMW-GSs) were 0.86 and 0.88, respectively. UPGMA clustering analysis indicated that the 238 T. urartu accessions could be classified into two subpopulations, of which Cluster I contained accessions from Eastern Mediterranean coast and those from Mesopotamia and Transcaucasia belonged to Cluster II. The wide range of genetic diversity along with the manageable number of accessions makes it one of the best collections for mining valuable genes based on marker-trait association. Significant associations were observed between simple sequence repeats (SSR) or HMW-GSs and six morphological traits: heading date (HD), plant height (PH), spike length (SPL), spikelet number per spike (SPLN), tiller angle (TA) and grain length (GL). Our data demonstrated that SSRs and HMW-GSs were useful markers for identification of beneficial genes controlling important traits in T. urartu, and subsequently for their conservation and future utilization, which may be useful for genetic improvement of the cultivated hexaploid wheat.

  15. Interstellar grain chemistry

    International Nuclear Information System (INIS)

    Buch, V.

    1990-01-01

    This chapter discusses the chemical evolution and composition of dust in dense interstellar clouds. Studies use observations in the infrared, visible and ultraviolet spectral regions. These grains are thought to be made largely of highly disordered and/or composite materials. Recently acquired data on Halley's comet and on the structure, composition and spectral properties of interplanetary dust particles (IDP) are used to study grain chemistry. These substances are though to be similar to dense cloud dust. Dense clouds are thought to contain minerals, poorly crystallized carbonaceous/organic polymers, coating mineral grains and dirty ice mantles and the chemistry of these substances is considered. (UK)

  16. The 13C-pocket structure in AGB models: constraints from zirconium isotope abundances in single mainstream SiC grains

    International Nuclear Information System (INIS)

    Liu, Nan; Davis, Andrew M.; Pellin, Michael J.; Gallino, Roberto; Bisterzo, Sara; Savina, Michael R.

    2014-01-01

    We present postprocess asymptotic giant branch (AGB) nucleosynthesis models with different 13 C-pocket internal structures to better explain zirconium isotope measurements in mainstream presolar SiC grains by Nicolussi et al. and Barzyk et al. We show that higher-than-solar 92 Zr/ 94 Zr ratios can be predicted by adopting a 13 C-pocket with a flat 13 C profile, instead of the previous decreasing-with-depth 13 C profile. The improved agreement between grain data for zirconium isotopes and AGB models provides additional support for a recent proposal of a flat 13 C profile based on barium isotopes in mainstream SiC grains by Liu et al.

  17. Structure of an incommensurate 90{sup 0} Si grain boundary resolved with the help of a Cs-corrector for illumination

    Energy Technology Data Exchange (ETDEWEB)

    Rouviere, J L; Rousseau, K; Jouneau, P H [CEA, INAC/SP2M/LEMMA, Minatec, 17 rue des Martyrs, 38054 Grenoble (France); Lancon, F; Caliste, D [CEA Grenoble, INAC/SP2M/L-SIM (France); Fournel, F, E-mail: jean-luc.rouviere@cea.f [CEA Grenoble, LETI - Minatec (France)

    2010-02-01

    The atomic structure of an incommensurate (001)/(110) Si grain boundary (GB) or 90{sup 0} Si GB has been studied by transmission electron microscopy (TEM) and refined by atomistic simulations (Stillinger-Weber potential). Samples were made by bonding one (001) Si wafer with one (110) Si wafer and carefully orienting the 2 wafers in order that they have a common [11-bar 0] direction. In the interfacial direction perpendicular to [11-bar 0], the [110]{sub I} direction of grain I is parallel to the [001]{sub II} direction of grain II and, as the ratio of these 2 vectors is sqrt2, it is impossible to find 2 integers n and m such that n[110]{sub I}=m[001]{sub II}. The structure is incommensurate in this direction. Z-contrast images obtained in an FEI-Titan microscope equipped with a probe Cs-corrector easily resolve the Si dumb-bells in the two grains and allow us to determine the complex atomic structures of the interface. On the other hand, near on-axis high resolution TEM images obtained in a JEOL 4000EX microscope are very efficient to analyse the long range order of the interface.

  18. Using vibrational molecular spectroscopy to reveal association of steam-flaking induced carbohydrates molecular structural changes with grain fractionation, biodigestion and biodegradation

    Science.gov (United States)

    Xu, Ningning; Liu, Jianxin; Yu, Peiqiang

    2018-04-01

    Advanced vibrational molecular spectroscopy has been developed as a rapid and non-destructive tool to reveal intrinsic molecular structure conformation of biological tissues. However, this technique has not been used to systematically study flaking induced structure changes at a molecular level. The objective of this study was to use vibrational molecular spectroscopy to reveal association between steam flaking induced CHO molecular structural changes in relation to grain CHO fractionation, predicted CHO biodegradation and biodigestion in ruminant system. The Attenuate Total Reflectance Fourier-transform Vibrational Molecular Spectroscopy (ATR-Ft/VMS) at SRP Key Lab of Molecular Structure and Molecular Nutrition, Ministry of Agriculture Strategic Research Chair Program (SRP, University of Saskatchewan) was applied in this study. The fractionation, predicted biodegradation and biodigestion were evaluated using the Cornell Net Carbohydrate Protein System. The results show that: (1) The steam flaking induced significant changes in CHO subfractions, CHO biodegradation and biodigestion in ruminant system. There were significant differences between non-processed (raw) and steam flaked grain corn (P < .01); (2) The ATR-Ft/VMS molecular technique was able to detect the processing induced CHO molecular structure changes; (3) Induced CHO molecular structure spectral features are significantly correlated (P < .05) to CHO subfractions, CHO biodegradation and biodigestion and could be applied to potentially predict CHO biodegradation (R2 = 0.87, RSD = 0.74, P < .01) and intestinal digestible undegraded CHO (R2 = 0.87, RSD = 0.24, P < .01). In summary, the processing induced molecular CHO structure changes in grain corn could be revealed by the ATR-Ft/VMS vibrational molecular spectroscopy. These molecular structure changes in grain were potentially associated with CHO biodegradation and biodigestion.

  19. Structural analysis of the wheat genes encoding NADH-dependent glutamine-2-oxoglutarate amidotransferases and correlation with grain protein content.

    Directory of Open Access Journals (Sweden)

    Domenica Nigro

    Full Text Available BACKGROUND: Nitrogen uptake and the efficient absorption and metabolism of nitrogen are essential elements in attempts to breed improved cereal cultivars for grain or silage production. One of the enzymes related to nitrogen metabolism is glutamine-2-oxoglutarate amidotransferase (GOGAT. Together with glutamine synthetase (GS, GOGAT maintains the flow of nitrogen from NH4 (+ into glutamine and glutamate, which are then used for several aminotransferase reactions during amino acid synthesis. RESULTS: The aim of the present work was to identify and analyse the structure of wheat NADH-GOGAT genomic sequences, and study the expression in two durum wheat cultivars characterized by low and high kernel protein content. The genomic sequences of the three homoeologous A, B and D NADH-GOGAT genes were obtained for hexaploid Triticum aestivum and the tetraploid A and B genes of Triticum turgidum ssp. durum. Analysis of the gene sequences indicates that all wheat NADH-GOGAT genes are composed of 22 exons and 21 introns. The three hexaploid wheat homoeologous genes have high conservation of sequence except intron 13 which shows differences in both length and sequence. A comparative analysis of sequences among di- and mono-cotyledonous plants shows both regions of high conservation and of divergence. qRT-PCR performed with the two durum wheat cvs Svevo and Ciccio (characterized by high and low protein content, respectively indicates different expression levels of the two NADH-GOGAT-3A and NADH-GOGAT-3B genes. CONCLUSION: The three hexaploid wheat homoeologous NADH-GOGAT gene sequences are highly conserved - consistent with the key metabolic role of this gene. However, the dicot and monocot amino acid sequences show distinctive patterns, particularly in the transit peptide, the exon 16-17 junction, and the C-terminus. The lack of conservation in the transit peptide may indicate subcellular differences between the two plant divisions - while the sequence

  20. Structural Equation Model as a Tool to Assess the Relationship Between Grain Yield Per Plant and Yield Components in Doubled Haploid Spring Barley Lines (Hordeum vulgare L.

    Directory of Open Access Journals (Sweden)

    Mańkowski Dariusz R.

    2016-06-01

    Full Text Available The aim of this study was to describe and characterize the relationships between yielding factors and grain yield per doubled haploid (DH plant of spring barley as well as relation between yield components and duration of each stage of plant development. To describe these relations structure equation modeling was used. The study included plants of doubled haploid spring barley lines (Hordeum vulgare L. derived from two-rowed form of Scarlett cultivar. The SAS® system was used to analyze the model of relationships between grain yield per plant and yield components. Our results indicate that the number of spikes per plant and grain yield per spike had a direct and decisive influence on the grain yield of the investigated DH plants of spring barley. Based on the path model analysis it was found that the most important factor determining grain yield per DH plants of spring barley was the number of spikes per plant and the duration of tillering and shooting stages.

  1. Multipass comminution process to produce precision wood particles of uniform size and shape with disrupted grain structure from wood chips

    Science.gov (United States)

    Dooley, James H; Lanning, David N

    2014-05-27

    A process of comminution of wood chips (C) having a grain direction to produce a mixture of wood particles (P), wherein the wood chips are characterized by an average length dimension (L.sub.C) as measured substantially parallel to the grain, an average width dimension (W.sub.C) as measured normal to L.sub.C and aligned cross grain, and an average height dimension (H.sub.C) as measured normal to W.sub.C and L.sub.C, and wherein the comminution process comprises the step of feeding the wood chips in a direction of travel substantially randomly to the grain direction one or more times through a counter rotating pair of intermeshing arrays of cutting discs (D) arrayed axially perpendicular to the direction of wood chip travel.

  2. Role and distribution of strontium during the dissolving and grain refining process of AlSi7Mg alloy's structure

    Energy Technology Data Exchange (ETDEWEB)

    Moldovan, P.; Popescu, G.; Zsigmond, M.; Apostolescu, I. [Universitatea Politehnica, Bucharest (Romania)

    2002-07-01

    The aim of this paper is the study of the modification of AlSi7Mg alloy with two types of master alloys: AlSr10 wire type and AlSr10 block type, at a temperature of 750 C with different contents of strontium. Due to the applicability of the AlSr10 master alloy wire type, the study was mainly elaborated on the dissolving process of this one. Due to this fact we used a 10 mm diameter wire of AlSr10 master alloy, which was introduced in the melt. After the grain refining process we obtained a sample, which was cut at different heights for a better observation of the alloy structure. We can notice that the grain refining degree is not uniform along the sample. Strontium as a grain refiner equalize the qualities of sodium but is much more efficient and keeps its grain refining properties for a longer period of time. The efficiency of the two types of master alloys was compared by the grain refinement degree of AlSi7Mg alloy function of the distance till the lower part of the casting mould and by determination of the grain refinement degree function of strontium content added. We made a micrographic study of the pieces of the sample and we used an optical microscope (OLYMPUS BX 60M) and the image analyzing system was OMNIMENT EXPRESS. Analyzing the results of this study we can see that the AlSi7Mg alloy grain refining degree doesn't depend too much on the form of the master alloy (if is wire or block) but grain refining time is increased when we use block types of master alloy. Also we can see that the cooling rate has a significant influence on the grain refinement degree. The industrial application of the AlSr master alloys are mainly for the light alloys ingots producers and light alloys casting plant for the obtaining of high quality components required by automotive and aeronautical industry. (orig.)

  3. Nano-sized manganese oxides as biomimetic catalysts for water oxidation in artificial photosynthesis: a review.

    Science.gov (United States)

    Najafpour, Mohammad Mahdi; Rahimi, Fahimeh; Aro, Eva-Mari; Lee, Choon-Hwan; Allakhverdiev, Suleyman I

    2012-10-07

    There has been a tremendous surge in research on the synthesis of various metal compounds aimed at simulating the water-oxidizing complex (WOC) of photosystem II (PSII). This is crucial because the water oxidation half reaction is overwhelmingly rate-limiting and needs high over-voltage (approx. 1 V), which results in low conversion efficiencies when working at current densities required for hydrogen production via water splitting. Particular attention has been given to the manganese compounds not only because manganese has been used by nature to oxidize water but also because manganese is cheap and environmentally friendly. The manganese-calcium cluster in PSII has a dimension of about approximately 0.5 nm. Thus, nano-sized manganese compounds might be good structural and functional models for the cluster. As in the nanometre-size of the synthetic models, most of the active sites are at the surface, these compounds could be more efficient catalysts than micrometre (or bigger) particles. In this paper, we focus on nano-sized manganese oxides as functional and structural models of the WOC of PSII for hydrogen production via water splitting and review nano-sized manganese oxides used in water oxidation by some research groups.

  4. Nano-sized manganese oxides as biomimetic catalysts for water oxidation in artificial photosynthesis: a review

    Science.gov (United States)

    Najafpour, Mohammad Mahdi; Rahimi, Fahimeh; Aro, Eva-Mari; Lee, Choon-Hwan; Allakhverdiev, Suleyman I.

    2012-01-01

    There has been a tremendous surge in research on the synthesis of various metal compounds aimed at simulating the water-oxidizing complex (WOC) of photosystem II (PSII). This is crucial because the water oxidation half reaction is overwhelmingly rate-limiting and needs high over-voltage (approx. 1 V), which results in low conversion efficiencies when working at current densities required for hydrogen production via water splitting. Particular attention has been given to the manganese compounds not only because manganese has been used by nature to oxidize water but also because manganese is cheap and environmentally friendly. The manganese–calcium cluster in PSII has a dimension of about approximately 0.5 nm. Thus, nano-sized manganese compounds might be good structural and functional models for the cluster. As in the nanometre-size of the synthetic models, most of the active sites are at the surface, these compounds could be more efficient catalysts than micrometre (or bigger) particles. In this paper, we focus on nano-sized manganese oxides as functional and structural models of the WOC of PSII for hydrogen production via water splitting and review nano-sized manganese oxides used in water oxidation by some research groups. PMID:22809849

  5. Variations in grain-scale sediment structure and entrainment force in a gravel-bed channel as a function of fine sediment content and morphological location

    Science.gov (United States)

    Voepel, Hal; Ahmed, Sharif; Hodge, Rebecca; Leyland, Julian; Sear, David

    2017-04-01

    One of the major causes of uncertainty in estimates of bedload transport rates in gravel-bed rivers is a lack of understanding of grain-scale sediment structure, and the impact that this structure has on the force required to entrain sediment. There are at least two factors that standard entrainment models do not consider. The first is the way in which the spatial arrangement and orientation of grains and the resultant forces varies throughout a channel and over time, ways that have yet to be fully quantified. The second is that sediment entrainment is a 3D process, yet calculations of entrainment thresholds for sediment grains are typically based on 2D diagrams where we calculate static moments of force vectors about a pivot angle, represented as a single point rather than as a more realistic axis of rotation. Our research addresses these limitations by quantifying variations in 3D sediment structure and entrainment force requirements across two key parameters: morphological location within a riffle-pool sequence (reflecting variation in hydraulic conditions), and the fine sediment content of the gravel-bed (sand and clay). We report results from a series of flume experiments in which we water-worked a gravel-bed with a riffle-pool morphology containing varying amounts of fine sediment. After each experimental run intact samples of the bed at different locations were extracted and the internal structure of the bed was measured using non-destructive, micro-focus X-ray computed tomography (CT) imaging. The CT images were processed to measure the properties of individual grains, including volume, center of mass, dimension, and contact points. From these data we were able to quantify the sediment structure and entrainment force requirements through measurement of 3D metrics including grain pivot angles, grain exposure and protrusion. Comparison of the metrics across different morphological locations and fine sediment content demonstrates how these factors affect the

  6. Structural and Magnetic Characterizations of Nano Sized Grain Zinc Ferrite/Hydroxyapatite Ceramic Prepared by Solid State Reaction Route.

    Science.gov (United States)

    Pankaew, Piyapong; Klumdoung, Pattarinee

    2015-11-01

    A promising composite of bioactive hydroxyapatite (HAp) and zinc ferrite (ZnFe2O4) has potentials for future bone reinforcing formation. In present study, HAp and ZnFe2O4 composite ceramic was prepared by solid state reaction route for easier control of structural and magnetic characteristics and with low cost. HAp powder was synthesized by precipitation method from chicken eggshell. Mixed powders with varying ZnFe2O4/HAp weight ratios from 2-10 wt% were milled together and uniaxially pressed and then sintered at 1200 degrees C for 3 hours. The XRD results showing no other phases of composite ceramics with only HAp and ZnFe2O4 phases were identified, indicating high stability of HAp property. Phase fractions of ZnFe2O4 were found to increase from 10.8 to 18.73 wt% with increasing content of ZnFe2O4. FT-IR results were only revealed vibration bands of standard HAp phase. SEM results revealed primary grains sizes of the prepared ceramics in nano scale. The BET surface area and pore volume increased with increasing content of ZnFe2O4 in composite ceramics. The VSM results of composites with increasing ZnFe2O4 content had been shown with increasing magnetization from 0.05 to 1.85 emu/g while their coercivities were decreased from 44 to 24 Oe. Higher magnetization as well as higher super paramagnetic behavior could be achieved with increasing the studied ZnFe2O4 weight ratios in ZnFe2O4/HAp composite ceramics, which can be tailored for specific applications.

  7. Strong enhancement of superconductivity in a nanosized Pb bridge

    Science.gov (United States)

    Misko, V. R.; Fomin, V. M.; Devreese, J. T.

    2001-07-01

    In recent experiments with a superconducting nanosized Pb bridge formed between a scanning tunneling microscope tip and a substrate, superconductivity has been detected at magnetic fields, that are a few times larger than the third (surface) critical field. We describe the observed phenomenon on the basis of a numerical solution of the Ginzburg-Landau equations in a model structure consisting of six conoids. The spatial distribution of the superconducting phase is shown to be strongly inhomogeneous, with a concentration of the superconducting phase near the narrowest part (the ``neck'') of the bridge. We show that suppression of superconductivity in the bridge by applied magnetic field or by temperature first occurs near the bases and then in the neck region, what leads to a continuous superconducting-to-normal resistive transition. A position of the transition midpoint depends on temperature and, typically, is by one order of magnitude higher than the second critical field Hc2. We find that the vortex states can be realized in the bridge at low temperatures T/Tc<=0.6. The vortex states lead to a fine structure of the superconducting-to-normal resistive transition. We also analyze vortex states in the bridge that are characterized by a varying vorticity as a function of the bridge's height.

  8. Structure and strength of aluminum with sub-micrometer/micrometer grain size prepared by spark plasma sintering

    DEFF Research Database (Denmark)

    Le, G.M.; Godfrey, A.; Hansen, Niels

    2013-01-01

    A spark plasma sintering (SPS) technique has been applied to prepare fully dense Al samples from Al powder. By applying a sintering temperature of 600°C and a loading pressure of 50MPa, fully recrystallized samples of nearly 100% density with average grain sizes of 5.2μm, 1.3μm and 0.8μm have been...... successfully prepared using a sintering time of less than 30min and without the need for a nitrogen atmosphere. A similarity between the grain size and powder particle size is found, which suggests a potential application of the SPS technique to prepare samples with a variety of grain sizes by tailoring...... the initial powder particle size. The SPS samples show higher strength than Al samples with an identical grain size prepared using thermo-mechanical processing, and a better strength-ductility combination, with the 1.3μm grain size sample showing a yield strength (σ0.2%) of 140MPa and a uniform elongation...

  9. THE STRUCTURE OF PRE-TRANSITIONAL PROTOPLANETARY DISKS. II. AZIMUTHAL ASYMMETRIES, DIFFERENT RADIAL DISTRIBUTIONS OF LARGE AND SMALL DUST GRAINS IN PDS 70 {sup ,}

    Energy Technology Data Exchange (ETDEWEB)

    Hashimoto, J.; Wisniewski, J. [Department of Physics and Astronomy, The University of Oklahoma, 440 West Brooks Street, Norman, OK 73019 (United States); Tsukagoshi, T. [College of Science, Ibaraki University, Bunkyo 2-1-1, Mito 310-8512 (Japan); Brown, J. M. [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, MS 78, Cambridge, MA 02138 (United States); Dong, R. [Astronomy Department, University of California, Berkeley, CA 94720 (United States); Muto, T. [Division of Liberal Arts, Kogakuin University, 1-24-2, Nishi-Shinjuku, Shinjuku-ku, Tokyo 163-8677 (Japan); Zhu, Z. [Department of Astrophysical Sciences, Princeton University, Princeton, NJ 08544 (United States); Ohashi, N.; Kudo, T.; Egner, S.; Guyon, O. [Subaru Telescope, 650 North A' ohoku Place, Hilo, HI 96720 (United States); Kusakabe, N.; Akiyama, E. [National Astronomical Observatory of Japan, 2-21-1 Osawa, Mitaka, Tokyo 181-8588 (Japan); Abe, L. [Laboratoire Hippolyte Fizeau, UMR6525, Universite de Nice Sophia-Antipolis, 28, avenue Valrose, F-06108 Nice Cedex 02 (France); Brandner, W.; Carson, J.; Feldt, M. [Max Planck Institute for Astronomy, Königstuhl 17, D-69117 Heidelberg (Germany); Brandt, T. [Astrophysics Department, Institute for Advanced Study, Princeton, NJ (United States); Currie, T. [Department of Astronomy and Astrophysics, University of Toronto, 50 St. George Street, Toronto, ON (Canada); Grady, C. A., E-mail: jun.hashimoto@ou.edu [Eureka Scientific, 2452 Delmer, Suite 100, Oakland, CA 96002 (United States); and others

    2015-01-20

    The formation scenario of a gapped disk, i.e., transitional disk, and its asymmetry is still under debate. Proposed scenarios such as disk-planet interaction, photoevaporation, grain growth, anticyclonic vortex, eccentricity, and their combinations would result in different radial distributions of the gas and the small (sub-μm size) and large (millimeter size) dust grains as well as asymmetric structures in a disk. Optical/near-infrared (NIR) imaging observations and (sub-)millimeter interferometry can trace small and large dust grains, respectively; therefore multi-wavelength observations could help elucidate the origin of complicated structures of a disk. Here we report Submillimeter Array observations of the dust continuum at 1.3 mm and {sup 12}CO J = 2 → 1 line emission of the pre-transitional protoplanetary disk around the solar-mass star PDS 70. PDS 70, a weak-lined T Tauri star, exhibits a gap in the scattered light from its disk with a radius of ∼65 AU at NIR wavelengths. However, we found a larger gap in the disk with a radius of ∼80 AU at 1.3 mm. Emission from all three disk components (the gas and the small and large dust grains) in images exhibits a deficit in brightness in the central region of the disk, in particular, the dust disk in small and large dust grains has asymmetric brightness. The contrast ratio of the flux density in the dust continuum between the peak position to the opposite side of the disk reaches 1.4. We suggest the asymmetries and different gap radii of the disk around PDS 70 are potentially formed by several (unseen) accreting planets inducing dust filtration.

  10. Synthesis and characterization of nanosize sodium titanates

    Energy Technology Data Exchange (ETDEWEB)

    Elvington, M. C.; Tosten, M.; Taylor-Pashow, K. M. L.; Hobbs, D. T., E-mail: david.hobbs@srnl.doe.gov [Savannah River National Laboratory (United States)

    2012-11-15

    This paper describes the synthesis and peroxide-modification of nanosize monosodium titanate (nMST). The synthesis method was derived from a sol-gel process used to produce micron-sized monosodium titanate (MST). Key modifications to this process include altering reagent concentrations, omitting a particle seed step, and introducing a non-ionic surfactant to facilitate control of particle formation and growth. The nMST material exhibits spherical-shaped particle morphology with a monodisperse distribution of particle diameters in the range from 100 to 150 nm. The BET surface area and isoelectric point of the nMST measured 285 m{sup 2} g{sup -1} and 3.34 pH units, respectively, which is more than an order of magnitude higher in surface area and a pH unit lower than that measured for the microsize MST. The nMST material serves as an effective ion exchanger under both weakly acidic and strongly alkaline conditions and was converted to a peroxotitanate form by reaction with hydrogen peroxide.

  11. Binary mixing of micelles using Pluronics for a nano-sized drug delivery system.

    Science.gov (United States)

    Lee, Eun Seong; Oh, Young Taik; Youn, Yu Seok; Nam, Myounghwa; Park, Byungtae; Yun, Jungmin; Kim, Ji Hoon; Song, Ho-Taek; Oh, Kyung Taek

    2011-01-01

    Pluronics with different structural compositions and properties are used for several applications, including drug delivery systems. We developed a binary mixing system with two Pluronics, L121/P123, as a nano-sized drug delivery carrier. The lamellar-forming Pluronic L121 (0.1 wt%) was incorporated with Pluronic P123 to produce nano-sized dispersions (in case of 0.1 and 0.5 wt% P123) with high stability due to Pluronic P123 and high solubilization capacity due to Pluronic L121. The binary systems were spherical and less than 200-nm diameter, with high thermodynamic stability (at least 2 weeks) in aqueous solution. The CMC of the binary system was located in the middle of the CMC of each polymer. In particular, the solubilization capacity of the binary system (0.1/0.1 wt%) was higher than mono-systems of P123. The main advantage of binary systems is overcoming limitations of mono systems to allow tailored mixing of block copolymers with different physicochemical characteristics. These nano-sized systems may have potential as anticancer drug delivery systems with simple preparation method, high stability, and high loading capacity. Copyright © 2010 Elsevier B.V. All rights reserved.

  12. One-pot synthesis of silanol-free nanosized MFI zeolite

    Science.gov (United States)

    Grand, Julien; Talapaneni, Siddulu Naidu; Vicente, Aurélie; Fernandez, Christian; Dib, Eddy; Aleksandrov, Hristiyan A.; Vayssilov, Georgi N.; Retoux, Richard; Boullay, Philippe; Gilson, Jean-Pierre; Valtchev, Valentin; Mintova, Svetlana

    2017-10-01

    The synthesis of nanostructured zeolites enables modification of catalytically relevant properties such as effective surface area and diffusion path length. Nanostructured zeolites may be synthesized either in alkaline media, and so contain significant numbers of hydrophilic silanol groups, or in expensive and harmful fluoride-containing media. Here, we report and characterize, using a combination of experimental and theoretical techniques, the one-pot synthesis of silanol-free nanosized MFI-type zeolites by introducing atomically dispersed tungsten; this prevents silanol group occurrence by forming flexible W-O-Si bridges. These W-O-Si bonds are more stable than Si-O-Si in the all-silica MFI zeolite. Tungsten incorporation in nanosized MFI crystals also modifies other properties such as structural features, hydrophobicity and Lewis acidity. The effect of these is illustrated on the catalytic epoxidation of styrene and separation of CO2 and NO2. Silanol-free nanosized W-MFI zeolites open new perspectives for catalytic and separation applications.

  13. Mechanical properties of dental resin composites by co-filling diatomite and nanosized silica particles

    International Nuclear Information System (INIS)

    Wang Hua; Zhu Meifang; Li Yaogang; Zhang Qinghong; Wang Hongzhi

    2011-01-01

    The aim of this study was to investigate the mechanical property effects of co-filling dental resin composites with porous diatomite and nanosized silica particles (OX-50). The purification of raw diatomite by acid-leaching was conducted in a hot 5 M HCl solution at 80 deg. C for 12 h. Both diatomite and nanosized SiO 2 were silanized with 3-methacryloxypropyltrimethoxysilane. The silanized inorganic particles were mixed into a dimethacrylate resin. Purified diatomite was characterized by X-ray diffraction, UV-vis diffuse reflectance spectroscopy and an N 2 adsorption-desorption isotherm. Silanized inorganic particles were characterized using Fourier transform infrared spectroscopy and a thermogravimetric analysis. The mechanical properties of the composites were tested by three-point bending, compression and Vicker's microhardness. Scanning electron microscopy was used to show the cross-section morphologies of the composites. Silanization of diatomite and nanosized silica positively reinforced interactions between the resin matrix and the inorganic particles. The mechanical properties of the resin composites gradually increased with the addition of modified diatomite (m-diatomite). The fracture surfaces of the composites exhibited large fracture steps with the addition of m-diatomite. However, when the mass fraction of m-diatomite was greater than 21 wt.% with respect to modified nanosized silica (mOX-50) and constituted 70% of the resin composite by weight, the mechanical properties of the resin composites started to decline. Thus, the porous structure of diatomite appears to be a crucial factor to improve mechanical properties of resin composites.

  14. Comminution process to produce wood particles of uniform size and shape with disrupted grain structure from veneer

    Science.gov (United States)

    Dooley, James H.; Lanning, David N.

    2017-03-28

    Comminution process of wood veneer to produce wood particles, by feeding wood veneer in a direction of travel substantially normal to grain through a counter rotating pair of intermeshing arrays of cutting discs arrayed axially perpendicular to the direction of wood veneer travel, wherein the cutting discs have a uniform thickness (Td), to produce wood particles characterized by a length dimension (L) substantially equal to the Td and aligned substantially parallel to grain, a width dimension (W) normal to L and aligned cross grain, and a height dimension (H) aligned normal to W and L, wherein the W.times.H dimensions define a pair of substantially parallel end surfaces with end checking between crosscut fibers.

  15. Infrared absorption spectra of nanosized silica with organic additives

    Directory of Open Access Journals (Sweden)

    Мaria О. Savchenko

    2014-12-01

    Full Text Available The prospects of using of silica nanoparticles modified with urea-formaldehyde polymers which is obtained by sulfuric acid sol-gel technology are shown. The aim is a detailed research on the infrared absorption spectra of nanodispersed silica modified with urea-formaldehyde polymers with identification of the absorption bands of the spectrum. The method of infrared spectroscopy is used to research spectral characteristics of nanosized silica, urea-formaldehyde polymer and nanodispersed silica modified with urea-formaldehyde polymers in different ratio. It is found that interaction of initial ingredients occurs at the stage of phase formation in solutions in colloidal silica products containing urea-formaldehyde polymers. Organic components are localized on the surface of the globules and in the interglobular space. This result of such interaction is the physical and structural transformation of globular surfaces of silica and new chemical compounds formation. This allows to give to final product a variety of properties required for practical use in many industries.

  16. Aloe vera Induced Biomimetic Assemblage of Nucleobase into Nanosized Particles

    Science.gov (United States)

    Chauhan, Arun; Zubair, Swaleha; Sherwani, Asif; Owais, Mohammad

    2012-01-01

    Aim Biomimetic nano-assembly formation offers a convenient and bio friendly approach to fabricate complex structures from simple components with sub-nanometer precision. Recently, biomimetic (employing microorganism/plants) synthesis of metal and inorganic materials nano-particles has emerged as a simple and viable strategy. In the present study, we have extended biological synthesis of nano-particles to organic molecules, namely the anticancer agent 5-fluorouracil (5-FU), using Aloe vera leaf extract. Methodology The 5-FU nano- particles synthesized by using Aloe vera leaf extract were characterized by UV, FT-IR and fluorescence spectroscopic techniques. The size and shape of the synthesized nanoparticles were determined by TEM, while crystalline nature of 5-FU particles was established by X-ray diffraction study. The cytotoxic effects of 5-FU nanoparticles were assessed against HT-29 and Caco-2 (human adenocarcinoma colorectal) cell lines. Results Transmission electron microscopy and atomic force microscopic techniques confirmed nano-size of the synthesized particles. Importantly, the nano-assembled 5-FU retained its anticancer action against various cancerous cell lines. Conclusion In the present study, we have explored the potential of biomimetic synthesis of nanoparticles employing organic molecules with the hope that such developments will be helpful to introduce novel nano-particle formulations that will not only be more effective but would also be devoid of nano-particle associated putative toxicity constraints. PMID:22403622

  17. Aloe vera induced biomimetic assemblage of nucleobase into nanosized particles.

    Science.gov (United States)

    Chauhan, Arun; Zubair, Swaleha; Sherwani, Asif; Owais, Mohammad

    2012-01-01

    Biomimetic nano-assembly formation offers a convenient and bio friendly approach to fabricate complex structures from simple components with sub-nanometer precision. Recently, biomimetic (employing microorganism/plants) synthesis of metal and inorganic materials nano-particles has emerged as a simple and viable strategy. In the present study, we have extended biological synthesis of nano-particles to organic molecules, namely the anticancer agent 5-fluorouracil (5-FU), using Aloe vera leaf extract. The 5-FU nano- particles synthesized by using Aloe vera leaf extract were characterized by UV, FT-IR and fluorescence spectroscopic techniques. The size and shape of the synthesized nanoparticles were determined by TEM, while crystalline nature of 5-FU particles was established by X-ray diffraction study. The cytotoxic effects of 5-FU nanoparticles were assessed against HT-29 and Caco-2 (human adenocarcinoma colorectal) cell lines. Transmission electron microscopy and atomic force microscopic techniques confirmed nano-size of the synthesized particles. Importantly, the nano-assembled 5-FU retained its anticancer action against various cancerous cell lines. In the present study, we have explored the potential of biomimetic synthesis of nanoparticles employing organic molecules with the hope that such developments will be helpful to introduce novel nano-particle formulations that will not only be more effective but would also be devoid of nano-particle associated putative toxicity constraints.

  18. The Synthesis and Modification of Nanosized Clickable Latex Particles

    KAUST Repository

    Almahdali, Sarah

    2013-05-01

    This research aims to add to the current knowledge available for miniemulsion polymerization reactions and to use this knowledge to synthesize multifunctional nanosized latex particles that have the potential to be used in catalysis. The physical properties of the latex can be adjusted to suit various environments due to the multiple functional groups present. For this research, styrene, pentafluorostyrene, azidomethyl styrene, pentafluorostyrene with azidomethyl styrene and pentafluorostyrene with styrene latexes were produced, and analyzed by dynamic light scattering. The latexes were synthesized using a miniemulsion polymerization technique found through this research. Potassium oleate and potassium 1,1,2,2,3,3,4,4-nonafluorobutane-1-sulfonate were used as surfactants during the miniemulsion polymerization reaction to synthesize pentafluorostyrene with azidomethyl styrene latex. Transmission electron microscopy data and dynamic light scattering data have been collected to analyze the structure of this latex, and it has been synthesized using a number of conditions, differing in reaction time, surfactant amount and sonication methods. We have also improved the solubility of the latex through a copper(I) catalyzed 1,3-dipolar azide-alkyne reaction, by clicking (polyethylene glycol)5000 onto the azide functional groups.

  19. Study of Barley Grain Molecular Structure for Ruminants Using DRIFT, FTIR-ATR and Synchrotron Radiation Infrared Microspectroscopy (SR-IMS): A Review

    Science.gov (United States)

    Yu, Peiqiang

    2012-05-01

    Barley inherent structures are highly associated with nutrient utilization and availability in both humans and animals. Barley has different degradation kinetics compared with other cereal grains. It has a relatively higher degradation rate and extent, which often cause digestive disorder in the rumen. Therefore understanding barley inherent structure at cellular and molecular levels and processing-induced structure changes is important, because we can manipulate barley inherent structures and digestive behaviors. Several molecular spectroscopy techniques can be used to detect barley inherent structures at cellular and molecular levels. This article reviews several applications of the IR molecular spectral bioanalytical techniques - DRIFT, FT/IR-ATR and SR-IMS for barley chemistry, molecular structure and molecular nutrition research

  20. Comminution process to produce precision wood particles of uniform size and shape with disrupted grain structure from wood chips

    Science.gov (United States)

    Dooley, James H; Lanning, David N

    2013-08-13

    A process of comminution of wood chips (C) having a grain direction to produce a mixture of wood particles (P), wherein the wood chips are characterized by an average length dimension (L.sub.C) as measured substantially parallel to the grain, an average width dimension (W.sub.C) as measured normal to L.sub.C and aligned cross grain, and an average height dimension (H.sub.C) as measured normal to W.sub.C and L.sub.C, and wherein the comminution process comprises the step of feeding the wood chips in a direction of travel substantially randomly to the grain direction through a counter rotating pair of intermeshing arrays of cutting discs (D) arrayed axially perpendicular to the direction of wood chip travel, wherein the cutting discs have a uniform thickness (T.sub.D), and wherein at least one of L.sub.C, W.sub.C, and H.sub.C is greater than T.sub.D.

  1. Phonon-assisted optical bands of nanosized powdery SrAl{sub 2}O{sub 4}:Eu{sup 2+} crystals: Evidence of a multimode Pekarian

    Energy Technology Data Exchange (ETDEWEB)

    Nazarov, M. [School of Materials and Mineral Resources Engineering, Universiti Sains Malaysia, Engineering Campus, 14300 Nibong Tebal, Pulau Pinang (Malaysia); Institute of Applied Physics, Academiei Street 5, Chisinau MD-2028 (Moldova, Republic of); Brik, M.G. [Institute of Physics, University of Tartu, Riia 142, Tartu 51014 (Estonia); Spassky, D. [Institute of Physics, University of Tartu, Riia 142, Tartu 51014 (Estonia); Skobeltsyn Institute of Nuclear Physics, M.V. Lomonosov Moscow State University, 119991 Moscow (Russian Federation); Tsukerblat, B., E-mail: tsuker@bgu.ac.il [Department of Chemistry, Ben-Gurion University of the Negev, Beer-Sheva 84105 (Israel); Palii, A. [Institute of Applied Physics, Academiei Street 5, Chisinau MD-2028 (Moldova, Republic of); Nazida, A. Nor [School of Materials and Mineral Resources Engineering, Universiti Sains Malaysia, Engineering Campus, 14300 Nibong Tebal, Pulau Pinang (Malaysia); Faculty of Art and Design, Universiti Teknologi MARA (Perak), Seri Iskandar 32610, Bandar Baru Seri Iskandar, Perak (Malaysia); Ahmad-Fauzi, M.N. [School of Materials and Mineral Resources Engineering, Universiti Sains Malaysia, Engineering Campus, 14300 Nibong Tebal, Pulau Pinang (Malaysia)

    2013-12-09

    A stoichiometric powder composed of nanosized grains of SrAl{sub 2}O{sub 4}:Eu{sup 2+} was synthesized by combustion method at 500 °C with the subsequent calcination at 1000 °C. The zero-phonon line position, parameter of the Stokes shift, heat release factor and effective phonon energy were studied experimentally and analyzed in the framework of the multimode Pekar–Huang–Rhys model. Experimental data show that the optical 4f–5d transitions in Eu{sup 2+} ion exhibit a broad asymmetric electron–vibrational bands with a pronounced structure near the maxima. The form-function of the absorption and luminescence bands are theoretically analyzed in the framework of the model of the linear electron–vibrational interaction assuming strong coupling with the local vibration (estimated Pekar–Huang–Rhys parameter a=2S=10 and frequency ℏω=509 cm{sup −1}) and relatively weak interaction with the crystal phonons. The last results in an effective temperature dependent broadening of the discrete lines corresponding to the local vibrations and to a specific shape of the whole phonon assisted band (multimode Pekarian). Providing specific interrelation between the key parameters the calculated absorption and luminescence bands exhibit peculiar temperature dependent structured peaks in a qualitative agreement with the experimental data.

  2. Preparation and performance of nanosized tungsten carbides for electrocatalysis

    International Nuclear Information System (INIS)

    Shen Peikang; Yin Shibin; Li Zihui; Chen Chan

    2010-01-01

    The principle of the intermittent microwave heating (IMH) method and the details on the working procedure for prepare nanosized materials were presented along with the comparison to the traditional continuous microwave heating (CMH) method. The nanosized tungsten carbides were synthesized as an example by this novel method. It produced WC with the average particle size of 21.4 nm at the procedure of 15 s-on and 15 s-off for 20 times, however, the particle size increased to 35.7 nm by CMH method for 5 min. The pure WC was obtained by post-treating the sample in NaOH solution, which gave the better performance as support. The nanosized WC was used as support for the Pt nanoparticles (Pt-WC/C(IMH)) for alcohol oxidation and oxygen reduction. It was proved that the Pt-WC/C(IMH) electrocatalysts gave the better performance than that prepared by CMH method (Pt-WC/C(CMH)) or Pt/C electrocatalysts in terms of the activity and CO-tolerance. The intermittent microwave heating method is easier to scale-up for mass production of the nanosized tungsten carbides and other nanosized materials as well.

  3. Interaction of slip with grain boundary in the Li2 ordered structure - A Σ = 9 tilt boundary

    International Nuclear Information System (INIS)

    Yoo, M.H.; King, A.H.

    1988-01-01

    The role of slip/grain boundary interaction in intergranular fracture has been analyzed for a Σ = 9 tilt boundary in Li 2 ordered alloys by use of the anisotropic elasticity theory of dislocations and fracture. Screw superpartials cross slip easily at the boundary onto the (1 bar 11) and the (001) planes for low and high temperatures, respectively. Transmission of primary slip dislocations onto the conjugate slip system occurs with some difficulty, which is eased by localized disordering. Unless a symmetric double pile-up occurs simultaneously, cleavage fracture is predicted to occur on the (bar 1 11) plane, not intergranular fracture. Absorption (or emission ) of superpartials occurs only when the boundary region is disordered. The inherent weakness of grain boundaries in Ni 3 Al and its improvement by boron segregation are discussed

  4. Stability of grain-refined reversed structures in a 301LN austenitic stainless steel under cyclic loading

    Czech Academy of Sciences Publication Activity Database

    Järvenpää, A.; Jaskari, M.; Man, Jiří; Karjalalinen, L.P.

    2017-01-01

    Roč. 703, č. 4 (2017), s. 280-292 ISSN 0921-5093 R&D Projects: GA ČR GA13-32665S Institutional support: RVO:68081723 Keywords : austenitic stainless steel * reversion treatment * grain size * deformation induced martensite * strain-controlled fatigue Subject RIV: JL - Materials Fatigue, Friction Mechanics OBOR OECD: Audio engineering, reliability analysis Impact factor: 3.094, year: 2016

  5. Preparation of nanosized non-oxide powders using diatomaceous earth

    Directory of Open Access Journals (Sweden)

    Šaponjić A.

    2009-01-01

    Full Text Available In this paper the nanosized non-oxide powders were prepared by carbothermal reduction and subsequent nitridation of diatomaceous earth which is a waste product from coal exploitation. Our scope was to investigate the potential use of diatomaceous earth as a main precursor for low-cost nanosized non-oxide powder preparation as well as to solve an environmental problem. The influence of carbon materials (carbonized sucrose, carbon cryogel and carbon black as a reducing agent on synthesis and properties of low-cost nanosized nonoxide powders was also studied. The powders were characterized by specific surface area, X-ray and SEM investigations. It was found that by using diatomaceous earth it is was possible to produce either a mixture of non-oxide powders (Si3N4/SiC or pure SiC powders depending on temperature.

  6. Computerized radioautographic grain counting

    International Nuclear Information System (INIS)

    McKanna, J.A.; Casagrande, V.A.

    1985-01-01

    In recent years, radiolabeling techniques have become fundamental assays in physiology and biochemistry experiments. They also have assumed increasingly important roles in morphologic studies. Characteristically, radioautographic analysis of structure has been qualitative rather than quantitative, however, microcomputers have opened the door to several methods for quantifying grain counts and density. The overall goal of this chapter is to describe grain counting using the Bioquant, an image analysis package based originally on the Apple II+, and now available for several popular microcomputers. The authors discuss their image analysis procedures by applying them to a study of development in the central nervous system

  7. Domain structure and texture in fine grained symplectite from garnet breakdown in peridotite xenoliths (Zinst, Bavaria, Bohemian Massif)

    Science.gov (United States)

    Habler, G.; Špaček, P.; Abart, R.

    2012-04-01

    Lherzolite xenoliths entrained in Oligocene basanite at the locality of Zinst (Bavaria, western Bohemian Massif) contain rare fine-grained symplectites forming about 5 millimeter sized patches comprising several microstructurally and chemically distinct concentric zones. The symplectites reflect a complex reaction history of lherzolite during decompression and interaction with melt. Here we focus on ultra-fine grained symplectite with an integrated bulk composition expressed in terms of garnet end-member component percentages as Prp(69-71)Alm(11-13)Grs(2.5-5)And(7.5-10)Uvr(4). According to the composition and the microstructural occurrence in lherzolite the ultra-fine grained symplectite is interpreted as a product of isochemical garnet breakdown, although the precursor phase is not preserved. Under cross polarized light patches with similar extinction show a domain microstructure in symplectite. BSE images reveal an intimate intergrowth of orthopyroxene, spinel and plagioclase. All phases have a shape preferred orientation within distinct domains, whereas discontinuous SPO changes occur at microstructural domain boundaries. Three types of symplectite were microstructurally discerned: The most pristine type A occurs in a 10-30 micrometers wide zone along the symplectite margin. Spinel forms several tens of nanometers wide rods or lamellae within Opx, whereas Pl and Opx represent the symplectite matrix. All phases show a strong SPO with the maximum elongation perpendicular to the symplectite boundary. At edges of this interface, the SPO of the symplectite phases changes accordingly. Discontinuities in SPO may coincide with changes in crystallographic orientation. EBSD data showed that symplectite phases have strict crystallographic orientation relations with Opx(100)//Spl(111) and Opx(010)//Spl(110). Whereas the initial lattice orientation is controlled by adjacent phases at the symplectite boundary, the crystallographic orientation within symplectite domains

  8. High hardness BaCb-(BxOy/BN) composites with 3D mesh-like fine grain-boundary structure by reactive spark plasma sintering.

    Science.gov (United States)

    Vasylkiv, Oleg; Borodianska, Hanna; Badica, Petre; Grasso, Salvatore; Sakka, Yoshio; Tok, Alfred; Su, Liap Tat; Bosman, Michael; Ma, Jan

    2012-02-01

    Boron carbide B4C powders were subject to reactive spark plasma sintering (also known as field assisted sintering, pulsed current sintering or plasma assisted sintering) under nitrogen atmosphere. For an optimum hexagonal BN (h-BN) content estimated from X-ray diffraction measurements at approximately 0.4 wt%, the as-prepared BaCb-(BxOy/BN) ceramic shows values of Berkovich and Vickers hardness of 56.7 +/- 3.1 GPa and 39.3 +/- 7.6 GPa, respectively. These values are higher than for the vacuum SPS processed B4C pristine sample and the h-BN -mechanically-added samples. XRD and electronic microscopy data suggest that in the samples produced by reactive SPS in N2 atmosphere, and containing an estimated amount of 0.3-1.5% h-BN, the crystallite size of the boron carbide grains is decreasing with the increasing amount of N2, while for the newly formed lamellar h-BN the crystallite size is almost constant (approximately 30-50 nm). BN is located at the grain boundaries between the boron carbide grains and it is wrapped and intercalated by a thin layer of boron oxide. BxOy/BN forms a fine and continuous 3D mesh-like structure that is a possible reason for good mechanical properties.

  9. Concepts on Low Temperature Mechanical Grain Growth

    Energy Technology Data Exchange (ETDEWEB)

    Sharon, John Anthony [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Metallurgy and Materials Joining Dept.; Boyce, Brad Lee [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Metallurgy and Materials Joining Dept.

    2013-11-01

    In metals, as grain size is reduced below 100nm, conventional dislocation plasticity is suppressed resulting in improvements in strength, hardness, and wears resistance. Existing and emerging components use fine grained metals for these beneficial attributes. However, these benefits can be lost in service if the grains undergo growth during the component’s lifespan. While grain growth is traditionally viewed as a purely thermal process that requires elevated temperature exposure, recent evidence shows that some metals, especially those with nanocrystalline grain structure, can undergo grain growth even at room temperature or below due to mechanical loading. This report has been assembled to survey the key concepts regarding how mechanical loads can drive grain coarsening at room temperature and below. Topics outlined include the atomic level mechanisms that facilitate grain growth, grain boundary mobility, and the impact of boundary structure, loading scheme, and temperature.

  10. Effects of structural and textural grain characteristics on leaching of sulphide minerals from a polymetallic concentrate by sodium nitrate and sulphuric acid solution

    Directory of Open Access Journals (Sweden)

    Sokić Miroslav D.

    2017-01-01

    Full Text Available In this paper, the influence of structural and textural characteristics of sulfide minerals on their leaching from a polymetallic concentrate by sulfuric acid and sodium nitrate solution is presented. The starting material was Pb–Zn–Cu sulphide polymetallic concentrate enriched during the flotation of a polymetallic ore in the "Rudnik" flotation plant (Rudnik – Serbia. Leaching experiments were carried out in a closed glass reactor, which provides stable hermetic conditions and allows heating at constant temperature. Chemical, XRD, qualitative and quantitative microscopic and SEM/EDX analyses were used to characterizes samples of the polymetallic concentrate and leach residue. It was determined that chalcopyrite, sphalerite, galena, pyrrhotite and quartz were present in the polymetallic concentrate. The content of sulphide minerals was 69.5%, of which 60.9% occurred as liberated grains: 88.3% of chalcopyrite, 59.3% of sphalerite, 25.1% of galena and 51.6% of pirrhotite. The rest of chalcopyrite, sphalerite, galena and pirrhotite grains were in the forms of inclusions, impregnations, and simple and complex intergrowths. During the leaching process by sodium nitrate and sulphuric acid solution, it was shown previously that the leaching rate of sulphide minerals decreased with time while a part of the sulphide minerals remained in the leach residue. After leaching at 80°C for 120 min, the yields were 69.8, 82.7 and 67.1% for Cu, Zn and Fe, respectively. Lead, in the form of insoluble anglesite, remained in the leach residue. In addition to the anglesite, unleached sulfide minerals and quartz, elemental sulfur was found in the solid residue. The content of sulphide minerals was 35% of which 33.7% minerals occur independently. In specific, 54.7% of chalcopyrite, 31.9% of sphalerite, 8.2% of galena and 37.6% of pyrrhotite appear as separate grains with highly corroded surfaces. Therefore, the structural assembly of sulphide grains in the

  11. Thermodynamics of disaggregated polymer composites based on nanosized powders of Ni and NiO

    Directory of Open Access Journals (Sweden)

    N. S. Volodina

    2015-03-01

    Full Text Available Technique to obtain disaggregated composites with uniform distribution of the Ni nanoparticles in a polymer matrix was developed on the example of epoxy resin. Disaggregated and aggregated composites based on butyl methacrylate copolymer with 5 wt% methacrylic acid and Ni and NiO nanoparticles were obtained. Enthalpies of mixing the components compositions in a wide range of compositions were defined using isothermal calorimetry. Parameters adhesive interaction at the interface and glassy polymer structure changes were calculated. The influence of the chemical nature of nanosized filler on interfacial energy was found.

  12. Microstructure and Mechanical Performance of Cu-Sn-Ti-Based Active Braze Alloy Containing In Situ Formed Nano-Sized TiC Particles

    Science.gov (United States)

    Leinenbach, Christian; Transchel, Robert; Gorgievski, Klea; Kuster, Friedrich; Elsener, Hans Rudolf; Wegener, Konrad

    2015-05-01

    A Cu-Sn-Ti-based active brazing filler alloy was in situ reinforced with nanosized TiC particles by adding different amounts of a cellulose nitride-based binder. The TiC particles emanate from a reaction of the Ti within the filler alloy with the carbon from the binder that does not decompose completely during heating. The correlation between the microstructure and mechanical performance was studied. In addition, the effect of different binder amounts on the shear strength and cutting performance of brazed diamond grains was studied in shear tests and single grain cutting tests. The results clearly show that the mechanical performance of the brazed diamond grains can be improved by the formation of TiC particles. This is attributed to particle strengthening of the filler alloy matrix as well as to the decreasing grain size and more homogeneous distribution of the (Cu,Sn)3Ti5 phase with increasing amount of binder.

  13. Mn3O4 nano-sized crystals: Rapid synthesis and extension to ...

    Indian Academy of Sciences (India)

    to preparation of nanosized LiMn2O4 materials. XIAO-LING CUI ... applications such as magnetic storage media, catalysis, electrodes, ion .... of ethanol. After similar processes with the rapid prepa- ration of nano-sized Mn3O4 crystals, a black colloidal solution containing nano-sized Mn3O4 crystals and the preferred lithium ...

  14. Probing Grain-Boundary Chemistry and Electronic Structure in Proton-Conducting Oxides by Atom Probe Tomography.

    Science.gov (United States)

    Clark, Daniel R; Zhu, Huayang; Diercks, David R; Ricote, Sandrine; Kee, Robert J; Almansoori, Ali; Gorman, Brian P; O'Hayre, Ryan P

    2016-11-09

    A laser-assisted atom-probe-tomographic (LAAPT) method has been developed and applied to measure and characterize the three-dimensional atomic and electronic nanostructure at an yttrium-doped barium zirconate (BaZr 0.9 Y 0.1 O 3-δ , BZY10) grain boundary. Proton-conducting perovskites, such as BZY10, are attracting intense interest for a variety of energy conversion applications. However, their implementation has been hindered, in part, because of high grain-boundary (GB) resistance that is attributed to a positive GB space-charge layer (SCL). In this study, LAAPT is used to analyze BZY10 GB chemistry in three dimensions with subnanometer resolution. From this analysis, maps of the charge density and electrostatic potential arising at the GBs are derived, revealing for the first time direct chemical evidence that a positive SCL indeed exists at these GBs. These maps reveal new insights on the inhomogeneity of the SCL region and produce an average GB potential barrier of approximately 580 mV, agreeing with previous indirect electrochemical measurements.

  15. SEM observation of grain boundary structures in quartz-iron oxide rocks deformed at intermediate metamorphic conditions

    Directory of Open Access Journals (Sweden)

    Leonardo Lagoeiro

    2011-09-01

    Full Text Available Several studies have demonstrated the effect of a second phase on the distribution of fluid phase and dissolution of quartz grains. However, as most observations came from aggregates deformed under hydrostatic stress conditions and mica-bearing quartz rocks, 3-D distribution of pores on quartz-quartz (QQB and quartz-hematite boundaries (QHB has been studied. Several fracture surfaces oriented according to finite strain ellipsoid were analyzed. The pore distribution characterizes the porosity and grain shape as highly anisotropic, which results from the nature and orientation of boundaries. QHB have physical/chemical properties very different from QQB, once the hematite plates have strong effect on wetting behavior of fluid, likewise micas in quartzites. They are pore-free flat surfaces, normal to compression direction, suggesting that they were once wetted with a continuous fluid film acting as faster diffusion pathway. At QQB, the pores are faceted, isolated, close to its edges reflecting the crystallographic control and an interconnected network of fluid along grain junctions. The QQB facing the extension direction are sites of fluid concentration. As consequence, the anisotropic dissolution and grain growth were responsible for the formation of hematite plates and tabular quartz grains significantly contributing for the generation of the foliation observed in the studied rocks.Muitos estudos têm demonstrado o efeito de uma segunda fase sobre a distribuição de fase fluida e dissolução de grãos de quartzo. Entretanto, como a maioria das observações vêm de agregados deformados sob condições de tensão hidrostática e em rochas quartzosas ricas em mica, a distribuição 3D de poros e bordas quartzo-quartzo (BQQ e quartzo-hematita (BQH tem sido estudada. Várias superfícies de fraturas orientadas segundo o elipsóide de deformação finita foram analisadas. A distribuição dos poros caracteriza a porosidade e a forma dos grãos como

  16. High resolution photolithography using arrays of polystyrene and SiO2 micro- and nano-sized spherical lenses

    Science.gov (United States)

    Dvoretckaia, L. N.; Mozharov, A. M.; Mukhin, I. S.

    2017-11-01

    Photolithography mask made of close-packed array of micro- and nano-sized spherical lenses allows to obtain the ordered structures and provides highest “optical resolution/cost” ratio between all existing photolithography and laser direct writing methods. In this letter, we present results of modeling the propagation of a plane wave falling on the array of quartz (SiO2) microspherical lenses and focusing in the image reverse photoresist layer. We present here experimental results on fabrication of ordered arrays of submicron wells and columns and substrate preparation for growth of monocrystalline nanowires on metal surface using photolithography with mask of SiO2 microspheres. Such ordered nano-sized arrays of wells and columns can be used in fabrication of further growth of monocrystalline nanowires, quantum dots and production of plasmon structures.

  17. Screen printed nanosized ZnO thick film

    Indian Academy of Sciences (India)

    Unknown

    BINDU KRISHNAN* and V P N NAMPOORI†. Centre for Materials for Electronics Technology, Athani P O, Thrissur 680 771, India. †International School of Photonics, Cochin University of Science and Technology, Cochin 682 022, India. MS received 6 November 2004; revised 5 March 2005. Abstract. Nanosized ZnO was ...

  18. Crystallization of Organic Semiconductor Molecules in Nanosized Cavities

    DEFF Research Database (Denmark)

    Milita, Silvia; Dionigi, Chiara; Borgatti, Francesco

    2008-01-01

    The crystallization of an organic semiconductor, viz., tetrahexil-sexithiophene (H4T6) molecules, confined into nanosized cavities of a self-organized polystyrene beads template, has been investigated by means of in situ grazing incidence X-ray diffraction measurements, during the solvent...

  19. Synthesis of nanosized silver colloids by microwave dielectric heating

    Indian Academy of Sciences (India)

    Silver nanosized crystallites have been synthesized in aqueous and polyols viz., ethylene glycol and glycerol, using a microwave technique. Dispersions of colloidal silver have been prepared by the reduction of silver nitrate both in the presence and absence of stabilizer poly(vinylpyrolidone) (PVP). It was observed that ...

  20. Modification of unsaturated polyester resins using nano-size core ...

    African Journals Online (AJOL)

    Modification of unsaturated polyester resins using nano-size core-shell particles. MO Munyati, PA Lovell. Abstract. No Abstract Available Journal of Science and Technology Special Edition 2004: 24-31. Full Text: EMAIL FULL TEXT EMAIL FULL TEXT · DOWNLOAD FULL TEXT DOWNLOAD FULL TEXT.

  1. Shock processing of interstellar grains

    International Nuclear Information System (INIS)

    Seab, C.G.; Shull, J.M.

    1986-01-01

    Shock processing plays an important role in the life of a typical interstellar grain. Shocks of 100 km/s-l or greater can destroy about 50% of the grain material under appropriate preshock conditions of density and magnetic field. The destruction occurs by grain-grain collisions and nonthermal sputtering for steady state radiative shocks and by thermal sputtering for fast adiabatic shocks. The evaluation of the lifetime of grains against shock destruction depends on models of the interstellar medium (ISM) structure and on supernova remnants (SNR) evolution. Results from various authors give lifetimes between 10 to the 8th and 10 to the 9th power years, compared to typical injection times for new grains of a few times 10 to the 9th power years. These numbers require that a major portion of the interstellar silicon bearing grain material must be formed by grain growth in the ISM. At the same time, the presence of isotopic anomalies in some meteorites implies that at least some grains must survive from their formation in SNRs or red giant winds through incorporation into the solar system

  2. Pressure effect on grain boundary diffusion

    International Nuclear Information System (INIS)

    Smirnova, E.S.; Chuvil'deev, V.N.

    1997-01-01

    The influence of hydrostatic pressure on grain boundary diffusion and grain boundary migration in metallic materials is theoretically investigated. The model is suggested that permits describing changes in activation energy of grain boundary self-diffusion and diffusion permeability of grain boundaries under hydrostatic pressure. The model is based on the ideas about island-type structure of grain boundaries as well as linear relationship of variations in grain boundary free volume to hydrostatic pressure value. Comparison of theoretical data with experimental ones for a number of metals and alloys (α-Zr, Sn-Ge, Cu-In with Co, In, Al as diffusing elements) shows a qualitative agreement

  3. A shift toward a new holistic paradigm will help to preserve and better process grain products' food structure for improving their health effects.

    Science.gov (United States)

    Fardet, Anthony

    2015-02-01

    This review aims at emphasizing the role played by physical characteristics and physico-chemical properties of the food matrix on the digestive and metabolic fate, and health effects of grain products. It is today obvious that the food matrix conditions the health effects of food products and that we are able to modify this matrix to control the digestive fate of foods, and the metabolic fate of nutrients and bioactive compounds (reverse engineering). In other words, there is no more reason to consider nutrition in a quantitative perspective (i.e., a food is only the sum of its macro-, micro- and phyto-nutrients) but rather according to a qualitative perspective involving concepts of interaction of nutrients within the matrix, of enzymatic bioaccessibility, bioavailability and metabolic fate in relation to release kinetics in the gastrointestinal tract, and food nutrient synergy. This new perspective on the health potential of foods also reflects the urge to consider preventive nutrition research according to a more holistic and integrative perspective after decades of reductionist research based on the study of the health effects of food components in isolation. To illustrate the importance of food structure, attention has been focused on grain-based products such as rice, leguminous seeds and nuts, and on soft technological treatments that preserve food structure such as pre-fermentation, soaking and germination.

  4. Influence of MgO containing strontium on the structure of ceramic film formed on grain oriented silicon steel surface

    Directory of Open Access Journals (Sweden)

    Daniela C. Leite Vasconcelos

    1999-07-01

    Full Text Available The oxide layer formed on the surface of a grain oriented silicon steel was characterized by SEM and EDS. 3% Si steel substrates were coated by two types of slurries: one formed by MgO and water and other formed by MgO, water and SrSO4. The ceramic films were evaluated by SEM, EDS and X-ray diffraction. Depth profiles of Fe, Si and Mg were obtained by GDS. The magnetic core losses (at 1.7 Tesla, 60 Hz of the coated steel samples were evaluated as well. The use of MgO containing strontium reduced the volume fraction of forsterite particles beneath the outermost ceramic layer. It was observed a reduced magnetic core loss with the use of the slurry with MgO containing strontium.

  5. Structure and grain coarsening during the processing of engineering ceramics. Ph.D. Thesis - Leeds Univ., United Kingdom

    Science.gov (United States)

    Shaw, Nancy J.

    1987-01-01

    Studies have been made of three ceramic systems (Al2O3, Y2O3/MgO, and SiC/C/B), both to explore a surface area/density diagram approach to examining the coarsening processes during sintering and to explore an alternative coarsening parameter, i.e., the grain boundary surface area (raising it at a given value of the density) and not the pore surface area; therefore, pinning of the grain boundaries by solid-solution drag is the only function evidenced by these results. The importance of such pinning even at densities as low as 75% of theoretical is linked to the existence of microstructural inhomogeneities. The early stages of sintering of Y2O3 powder have been examined using two techniques, BET surface area analysis and transmission electron microscopy. Each has given some insight into the process occurring and, used together, have provided some indication of the effect of MgO on coarsening during sintering. Attempts to further elucidate effects of MgO on the coarsening behavior of Y2O3 by the surface area/density diagram approach were unsuccessful due to masking effects of contaminating reactions during sintering and/or thermal etching. The behavior of the undoped SiC which only coarsens can be clearly distinguished by the surface area/density diagram from that of SiC/C/B which also concurrently densifies. Little additional information was obtainable by this method due to unfavorable sample etching characteristics. The advantages, disadvantages, and difficulties of application of these techniques to the study of coarsening during sintering are discussed.

  6. Microstructure and properties of SA 106B carbon steel after treatment of the melt with nano-sized TiC particles

    International Nuclear Information System (INIS)

    Park, Jin-Ju; Hong, Sung-Mo; Park, Eun-Kwang; Kim, Kyeong-Yeol; Lee, Min-Ku; Rhee, Chang-Kyu

    2014-01-01

    Carbon steel dispersed with nano-sized TiC ceramic particles was fabricated using the liquid metal casting process by means of their ex-situ introduction. For this purpose, the nano-sized TiC powders with an initial average size of 40 nm were first mechanically activated with two metal powders (Fe, Ni) and then introduced externally into the molten carbon steel during the casting process. According to the chemical composition analysis, 90% of the initial TiC nanoparticles were discovered within the cast carbon steel. Compared to cast carbon steel without TiC nanoparticles, the grain size refinement and mechanical property enhancement were achieved. Atom probe tomographic analysis revealed that the TiC nanoparticles were approximately 30 nm in size in the carbon steel matrix with a number density of 1.49×10 21 m −3

  7. Reconciling structural and thermodynamic predictions using all-atom and coarse-grain force fields: the case of charged oligo-arginine translocation into DMPC bilayers.

    Science.gov (United States)

    Hu, Yuan; Sinha, Sudipta Kumar; Patel, Sandeep

    2014-10-16

    Using the translocation of short, charged cationic oligo-arginine peptides (mono-, di-, and triarginine) from bulk aqueous solution into model DMPC bilayers, we explore the question of the similarity of thermodynamic and structural predictions obtained from molecular dynamics simulations using all-atom and Martini coarse-grain force fields. Specifically, we estimate potentials of mean force associated with translocation using standard all-atom (CHARMM36 lipid) and polarizable and nonpolarizable Martini force fields, as well as a series of modified Martini-based parameter sets. We find that we are able to reproduce qualitative features of potentials of mean force of single amino acid side chain analogues into model bilayers. In particular, modifications of peptide-water and peptide-membrane interactions allow prediction of free energy minima at the bilayer-water interface as obtained with all-atom force fields. In the case of oligo-arginine peptides, the modified parameter sets predict interfacial free energy minima as well as free energy barriers in almost quantitative agreement with all-atom force field based simulations. Interfacial free energy minima predicted by a modified coarse-grained parameter set are -2.51, -4.28, and -5.42 for mono-, di-, and triarginine; corresponding values from all-atom simulations are -0.83, -3.33, and -3.29, respectively, all in units of kcal/mol. We found that a stronger interaction between oligo-arginine and the membrane components and a weaker interaction between oligo-arginine and water are crucial for producing such minima in PMFs using the polarizable CG model. The difference between bulk aqueous and bilayer center states predicted by the modified coarse-grain force field are 11.71, 14.14, and 16.53 kcal/mol, and those by the all-atom model are 6.94, 8.64, and 12.80 kcal/mol; those are of almost the same order of magnitude. Our simulations also demonstrate a remarkable similarity in the structural aspects of the ensemble of

  8. Modifications in Glass Ionomer Cements: Nano-Sized Fillers and Bioactive Nanoceramics

    Science.gov (United States)

    Najeeb, Shariq; Khurshid, Zohaib; Zafar, Muhammad Sohail; Khan, Abdul Samad; Zohaib, Sana; Martí, Juan Manuel Nuñez; Sauro, Salvatore; Matinlinna, Jukka Pekka; Rehman, Ihtesham Ur

    2016-01-01

    Glass ionomer cements (GICs) are being used for a wide range of applications in dentistry. In order to overcome the poor mechanical properties of glass ionomers, several modifications have been introduced to the conventional GICs. Nanotechnology involves the use of systems, modifications or materials the size of which is in the range of 1–100 nm. Nano-modification of conventional GICs and resin modified GICs (RMGICs) can be achieved by incorporation of nano-sized fillers to RMGICs, reducing the size of the glass particles, and introducing nano-sized bioceramics to the glass powder. Studies suggest that the commercially available nano-filled RMGIC does not hold any significant advantage over conventional RMGICs as far as the mechanical and bonding properties are concerned. Conversely, incorporation of nano-sized apatite crystals not only increases the mechanical properties of conventional GICs, but also can enhance fluoride release and bioactivity. By increasing the crystallinity of the set matrix, apatites can make the set cement chemically more stable, insoluble, and improve the bond strength with tooth structure. Increased fluoride release can also reduce and arrest secondary caries. However, due to a lack of long-term clinical studies, the use of nano-modified glass ionomers is still limited in daily clinical dentistry. In addition to the in vitro and in vivo studies, more randomized clinical trials are required to justify the use of these promising materials. The aim of this paper is to review the modification performed in GIC-based materials to improve their physicochemical properties. PMID:27428956

  9. Approximate bilateral symmetry in evaporation-induced polycrystalline structures from droplets of wheat grain leakages and fluctuating asymmetry as quality indicator

    Science.gov (United States)

    Kokornaczyk, Maria Olga; Dinelli, Giovanni; Betti, Lucietta

    2013-01-01

    The present paper reports on an observation that dendrite-like polycrystalline structures from evaporating droplets of wheat grain leakages exhibit bilateral symmetry. The exactness of this symmetry, measured by means of fluctuating asymmetry, varies depending on the cultivar and stress factor influence, and seems to correspond to the seed germination rate. In the bodies of plants, animals, and humans, the exactness of bilateral symmetry is known to reflect the environmental conditions of an organism's growth, its health, and its success in sexual selection. In polycrystalline structures, formed under the same conditions, the symmetry exactness depends on the properties of the crystallizing solution such as the composition and viscosity; however, it has never been associated with sample quality. We hypothesize here that, as in living nature, the exactness of approximate bilateral symmetry might be considered a quality indicator also in crystallographic methods applied to food quality analysis.

  10. Synthesis, Characterization, and Magnetic Properties of Pure and EDTA-Capped NiO Nanosized Particles

    Directory of Open Access Journals (Sweden)

    H. T. Rahal

    2017-01-01

    Full Text Available The effect of ethylenediaminetetraacetic acid (EDTA as a capping agent on the structure, morphology, optical, and magnetic properties of nickel oxide (NiO nanosized particles, synthesized by coprecipitation method, was investigated. Nickel chloride hexahydrate and sodium hydroxide (NaOH were used as precursors. The resultant nanoparticles were characterized by X-ray diffraction (XRD, transmission electron microscopy (TEM, and scanning electron microscopy (SEM. XRD patterns showed that NiO have a face-centered cubic (FCC structure. The crystallite size, estimated by Scherrer formula, has been found in the range of 28–33 nm. It is noticed that EDTA-capped NiO nanoparticles have a smaller size than pure nanoparticles. Thus, the addition of 0.1 M capping agent EDTA can form a nucleation point for nanoparticles growth. The optical and magnetic properties were investigated by Fourier transform infrared spectroscopy (FTIR and UV-vis absorption spectroscopy (UV as well as electron paramagnetic resonance (EPR and magnetization measurements. FTIR spectra indicated the presence of absorption bands in the range of 402–425 cm−1, which is a common feature of NiO. EPR for NiO nanosized particles was measured at room temperature. An EPR line with g factor ≈1.9–2 is detected for NiO nanoparticles, corresponding to Ni2+ ions. The magnetic hysteresis of NiO nanoparticles showed that EDTA capping recovers the surface magnetization of the nanoparticles.

  11. Unfolding grain size effects in barium titanate ferroelectric ceramics

    Science.gov (United States)

    Tan, Yongqiang; Zhang, Jialiang; Wu, Yanqing; Wang, Chunlei; Koval, Vladimir; Shi, Baogui; Ye, Haitao; McKinnon, Ruth; Viola, Giuseppe; Yan, Haixue

    2015-01-01

    Grain size effects on the physical properties of polycrystalline ferroelectrics have been extensively studied for decades; however there are still major controversies regarding the dependence of the piezoelectric and ferroelectric properties on the grain size. Dense BaTiO3 ceramics with different grain sizes were fabricated by either conventional sintering or spark plasma sintering using micro- and nano-sized powders. The results show that the grain size effect on the dielectric permittivity is nearly independent of the sintering method and starting powder used. A peak in the permittivity is observed in all the ceramics with a grain size near 1 μm and can be attributed to a maximum domain wall density and mobility. The piezoelectric coefficient d33 and remnant polarization Pr show diverse grain size effects depending on the particle size of the starting powder and sintering temperature. This suggests that besides domain wall density, other factors such as back fields and point defects, which influence the domain wall mobility, could be responsible for the different grain size dependence observed in the dielectric and piezoelectric/ferroelectric properties. In cases where point defects are not the dominant contributor, the piezoelectric constant d33 and the remnant polarization Pr increase with increasing grain size. PMID:25951408

  12. Unfolding grain size effects in barium titanate ferroelectric ceramics.

    Science.gov (United States)

    Tan, Yongqiang; Zhang, Jialiang; Wu, Yanqing; Wang, Chunlei; Koval, Vladimir; Shi, Baogui; Ye, Haitao; McKinnon, Ruth; Viola, Giuseppe; Yan, Haixue

    2015-05-07

    Grain size effects on the physical properties of polycrystalline ferroelectrics have been extensively studied for decades; however there are still major controversies regarding the dependence of the piezoelectric and ferroelectric properties on the grain size. Dense BaTiO3 ceramics with different grain sizes were fabricated by either conventional sintering or spark plasma sintering using micro- and nano-sized powders. The results show that the grain size effect on the dielectric permittivity is nearly independent of the sintering method and starting powder used. A peak in the permittivity is observed in all the ceramics with a grain size near 1 μm and can be attributed to a maximum domain wall density and mobility. The piezoelectric coefficient d33 and remnant polarization Pr show diverse grain size effects depending on the particle size of the starting powder and sintering temperature. This suggests that besides domain wall density, other factors such as back fields and point defects, which influence the domain wall mobility, could be responsible for the different grain size dependence observed in the dielectric and piezoelectric/ferroelectric properties. In cases where point defects are not the dominant contributor, the piezoelectric constant d33 and the remnant polarization Pr increase with increasing grain size.

  13. Electrodeposition of nano-sized bismuth on copper foil as electrocatalyst for reduction of CO2 to formate

    Science.gov (United States)

    Lv, Weixin; Zhou, Jing; Bei, Jingjing; Zhang, Rui; Wang, Lei; Xu, Qi; Wang, Wei

    2017-01-01

    Electrochemical reduction of carbon dioxide (CO2) to formate is energetically inefficient because high overpotential is required for reduction of CO2 to formate on most traditional catalysts. In this paper, a novel nano-sized Bi-based electrocatalyst deposited on a Cu foil has been synthesized, which can be used as a cathode for electrochemical reduction of CO2 to formate with a low overpotential (0.69 V) and a high selectivity (91.3%). The electrocatalyst can show excellent catalytic performance toward reduction of CO2 which can probably be attributed to the nano-sized structure and the surface oxide layer. The energy efficiency for reduction of CO2 to formate can reach to 50% when an IrxSnyRuzO2/Ti electrode is used as anode, it is one of the highest values found in the literatures and very practicable for sustainable fuel synthesis.

  14. Effects of structure and xylanase treatment of brewers' spent grain on performance and nutrient availability in broiler chickens.

    Science.gov (United States)

    Denstadli, V; Westereng, B; Biniyam, H G; Ballance, S; Knutsen, S H; Svihus, B

    2010-06-01

    1. A factorial (2 x 3) feeding trial was set up to investigate the effects of coarse or finely ground brewers' spent grain (BSG) and xylanase treatment, either with no xylanase, top-dressed with xylanase or pre-treated with xylanase. 2. The experimental diets shared the same basal formulation and were fed to male broiler chickens (Ross 308) housed in individual cages from 12 to 29 d of age. 3. Xylanase pre-treatment reduced the dietary concentration of arabinoxylan by 15-30%. Pellet durability increased when BSG was ground. 4. Feed utilisation was significantly higher (6%) when the birds were given coarse BSG rather than ground BSG, whereas there was no significant effect of enzyme treatment. Apparent metabolisable energy was unaffected by the dietary treatments. 5. The overall starch digestibility was high (99%), with no dietary differences, whereas ileal protein digestibility was low (57%). Xylanase top-dressing tended to improve ileal protein digestibility but, in general, xylanase treatment had no major effect on overall performance in male broilers given diets with BSG.

  15. The effect of Al–5Ti–1B grain refiner on the structure and tensile properties of Al–20%Mg alloy

    International Nuclear Information System (INIS)

    Fakhraei, O.; Emamy, M.; Farhangi, H.

    2013-01-01

    In current research, the effect of Al–5Ti–1B grain refiner on the structure and tensile properties of Al–20%Mg alloy have been investigated. Scanning electron microscopy (SEM) and Energy Dispersive X-ray (EDX) analysis were utilized to study the microstructure and fracture surfaces of samples. Microstructural analysis of the cast alloy showed the dendrites of a primary α-phase solid solution within the eutectic matrix which consists of β-Al 3 Mg 2 intermetallic and α-solid solution. The results indicated that adding Al–5Ti–1B to the alloy caused a significant rise in the ultimate tensile strength (UTS) and elongation values from 168 MPa and 1.2% to maximum 253 MPa and 2.4%, respectively. The main mechanisms for the observed enhancement were found to be due to the refinement of grains during solidification and also segregation of Ti to the tip of Al (α) dendrites. This phenomenon controls the dendritic growth and changes the morphology of this phase from interconnected coarse dendrites to a star-like morphology.

  16. Synergistic effect in carbon coated LiFePO4 for high yield spontaneous grafting of diazonium salt. Structural examination at the grain agglomerate scale.

    Science.gov (United States)

    Madec, Lénaïc; Robert, Donatien; Moreau, Philippe; Bayle-Guillemaud, Pascale; Guyomard, Dominique; Gaubicher, Joël

    2013-08-07

    Molecular grafting of p-nitrobenzene diazonium salt at the surface of (Li)FePO4-based materials was thoroughly investigated. The grafting yields obtained by FTIR, XPS, and elemental analysis for core shell LiFePO4-C are found to be much higher than the sum of those associated with either the LiFePO4 core or the carbon shell alone, thereby revealing a synergistic effect. Electrochemical, XRD, and EELS experiments demonstrate that this effect stems from the strong participation of the LiFePO4 core that delivers large amounts of electrons to the carbon substrate at a constant energy, above the Fermi level of the diazonium salt. Correspondingly large multilayer anisotropic structures that are associated with outstanding grafting yields could be observed from TEM experiments. Results therefore constitute strong evidence of a grafting mechanism where homolytic cleavage of the N2(+) species occurs together with the formation and grafting of radical nitro-aryl intermediates. Although the oxidation and concomitant Li deintercalation of LiFePO4 grains constitute the main driving force of the functionalization reaction, EFTEM EELS mapping shows a striking lack of spatial correlation between grafted grains and oxidized ones.

  17. The effect of Al-5Ti-1B grain refiner on the structure and tensile properties of Al-20%Mg alloy

    Energy Technology Data Exchange (ETDEWEB)

    Fakhraei, O. [Center of Excellence for High Performance Materials, School of Metallurgy and Materials, College of Engineering, University of Tehran, Tehran (Iran, Islamic Republic of); Emamy, M., E-mail: emamy@ut.ac.ir [Center of Excellence for High Performance Materials, School of Metallurgy and Materials, College of Engineering, University of Tehran, Tehran (Iran, Islamic Republic of); Farhangi, H. [Center of Excellence for High Performance Materials, School of Metallurgy and Materials, College of Engineering, University of Tehran, Tehran (Iran, Islamic Republic of)

    2013-01-10

    In current research, the effect of Al-5Ti-1B grain refiner on the structure and tensile properties of Al-20%Mg alloy have been investigated. Scanning electron microscopy (SEM) and Energy Dispersive X-ray (EDX) analysis were utilized to study the microstructure and fracture surfaces of samples. Microstructural analysis of the cast alloy showed the dendrites of a primary {alpha}-phase solid solution within the eutectic matrix which consists of {beta}-Al{sub 3}Mg{sub 2} intermetallic and {alpha}-solid solution. The results indicated that adding Al-5Ti-1B to the alloy caused a significant rise in the ultimate tensile strength (UTS) and elongation values from 168 MPa and 1.2% to maximum 253 MPa and 2.4%, respectively. The main mechanisms for the observed enhancement were found to be due to the refinement of grains during solidification and also segregation of Ti to the tip of Al ({alpha}) dendrites. This phenomenon controls the dendritic growth and changes the morphology of this phase from interconnected coarse dendrites to a star-like morphology.

  18. Effect of solvent on the structure of a protein (H3.1) with a coarse-grained model with knowledge-based interactions

    Science.gov (United States)

    Pandey, Ras; Farmer, Barry

    2013-03-01

    Quality of solvent plays a critical role in modulating the structure of a protein along with the temperature. Using a coarse-grained Monte Carlo simulation based on three knowledge-based contact potentials (MJ, BT, BFKV) we examine the structure and dynamics of a histone (H3.1). The empty lattice sites constitute the effective solvent medium in which the protein is embedded. Residue-solvent characteristic interaction is based on the hydropathy index while the residue-residue interaction is used from the knowledge-based contact matrices derived from ensembles of protein structures in the protein data bank. Large scale simulations are performed to analyze the structure of protein for a range of residue-solvent interaction strength, a measure of the solvent quality with each potential. Unlike the monotonic thermal response, the radius of gyration of the protein exhibits non-monotonic dependence of the solvent strength. Quantitative comparison of the structure and dynamics emerging from three knowledge-based potentials will be presented in this talk. This work is supported by Air Force Research Laboratory.

  19. Structural and electrical transport properties of nanosized La0 ...

    Indian Academy of Sciences (India)

    1–3]. Soon after the discovery and publication of the properties of CMR materials. [1], there has been considerable experimental and theoretical interest in perovskite manganese oxides of the type R1−xAxMnO3, where R and A are rare earth ...

  20. Raman scattering in nanosized nickel oxide NiO

    International Nuclear Information System (INIS)

    Mironova-Ulmane, N; Kuzmin, A; Steins, I; Grabis, J; Sildos, I; Paers, M

    2007-01-01

    Magnetic ordering in nanosized (100 and 1500 nm) nickel oxide NiO powders, prepared by the plasma synthesis method, was studied using Raman scattering spectroscopy in a wide range of temperatures from 10 to 300 K. It was observed that the intensity of two-magnon band decreases rapidly for smaller crystallites size. This effect is attributed to a decrease of antiferromagnetic spin correlations and leads to the antiferromagnetic-to-paramagnetic phase transition

  1. Electrical and Optical Properties of Nanosized Perovskite-type La ...

    African Journals Online (AJOL)

    Electrical and Optical Properties of Nanosized Perovskite-type La 0.5 Ca 0.5 MO 3 (M=Co,Ni) prepared using a Sol-Gel Method. ... calculate the absorption coefficient (α) as a function of photon energy (hυ) and the obtained results indicate that the optical band gap energy (Eg) for LCNO sample is smaller than that of LCCO.

  2. Superconducting film magnetic flux transformer with micro- and nanosized branches

    Directory of Open Access Journals (Sweden)

    Levan Ichkitidze

    2013-06-01

    Full Text Available The object of the study is a superconducting film magnetic flux transformer comprising two square shaped loops with the tapering active strips and a magnetosensitive film element between them. It is shown that splitting of the active strips into parallel micro- and nanosized superconducting branches and slits increases the gain factor of the transformer, i. e., the concentration of an external magnetic field on the magnetosensitive element, by a factor of more than four.

  3. Prediction of protein structure with the coarse-grained UNRES force field assisted by small X-ray scattering data and knowledge-based information.

    Science.gov (United States)

    Karczyńska, Agnieszka S; Mozolewska, Magdalena A; Krupa, Paweł; Giełdoń, Artur; Liwo, Adam; Czaplewski, Cezary

    2018-03-01

    A new approach to assisted protein-structure prediction has been proposed, which is based on running multiplexed replica exchange molecular dynamics simulations with the coarse-grained UNRES force field with restraints derived from knowledge-based models and distance distribution from small angle X-ray scattering (SAXS) measurements. The latter restraints are incorporated into the target function as a maximum-likelihood term that guides the shape of the simulated structures towards that defined by SAXS. The approach was first verified with the 1KOY protein, for which the distance distribution was calculated from the experimental structure, and subsequently used to predict the structures of 11 data-assisted targets in the CASP12 experiment. Major improvement of the GDT_TS was obtained for 2 targets, minor improvement for other 2 while, for 6 target GDT_TS deteriorated compared with that calculated for predictions without the SAXS data, partly because of assuming a wrong multimeric state (for Ts866) or because the crystal conformation was more compact than the solution conformation (for Ts942). Particularly good results were obtained for Ts909, in which use of SAXS data resulted in the selection of a correctly packed trimer and, subsequently, increased the GDT_TS of monomer prediction. It was found that running simulations with correct oligomeric state is essential for the success in SAXS-data-assisted prediction. © 2017 Wiley Periodicals, Inc.

  4. The uranium valence in the Cs-U-O system: crystal structures and thin layers contribution to the physico-chemical study of grain boundaries in irradiated fuel

    International Nuclear Information System (INIS)

    Van Den Berghe, S.

    2002-01-01

    The document is an abstract of a PhD thesis. The PhD thesis investigates the way in which cesium, through its effect on oxygen, modifies the uranium environment and in consequence the valence state of the uranium atom itself. To this end, the crystallographic structure and local uranium environment of several uranium uranates has been determined by Rietveld refinement of neutron and X-ray diffraction data. Thin layers of stoichiometric uranium dioxide were prepared using sputter deposition techniques and used to model interactions on the grain boundaries. They were covered with cesium and exposed to controlled amounts of oxygen, while the uranium valence state was monitored with Ultraviolet Photoelectron Spectroscopy and XPS

  5. Displacive radiation-induced structural contraction in nanocrystalline ZrN

    International Nuclear Information System (INIS)

    Lu Fengyuan; Sun Hongtao; Lian Jie; Huang, Mengbing; Yaqoob, Faisal; Lang, Maik; Ewing, Rodney C.; Namavar, Fereydoon; Trautmann, Christina

    2012-01-01

    Nanocrystalline ZrN thin films with 5 nm grain size, prepared by ion beam assisted deposition, maintained their isometric structure upon intensive displacive and ionizing irradiations, indicating an extremely high stability similar to bulk ZrN. However, a unique structural contraction up to 1.42% in lattice parameter occurred only in nano-sized ZrN upon displacive irradiations. A significant nitrogen loss occurred with reduced N:Zr atomic ratio to 0.88, probably due to the production of displaced nitrogen atoms and fast diffusion along grain boundaries in nanocrystalline ZrN matrix. The accumulation of nitrogen vacancies and related strain relaxation may be responsible for the structural contraction.

  6. Ab initio study of symmetrical tilt grain boundaries in bcc Fe: structural units, magnetic moments, interfacial bonding, local energy and local stress

    International Nuclear Information System (INIS)

    Bhattacharya, Somesh Kr; Tanaka, Shingo; Kohyama, Masanori; Shiihara, Yoshinori

    2013-01-01

    We present first-principle calculations on symmetric tilt grain boundaries (GBs) in bcc Fe. Using density functional theory (DFT), we studied the structural, electronic and magnetic properties of Σ3(111) and Σ11(332) GBs formed by rotation around the [110] axis. The optimized structures, GB energies and GB excess free volumes are consistent with previous DFT and classical simulation studies. The GB configurations can be interpreted by the structural unit model as given by Nakashima and Takeuchi (2000 ISIJ 86 357). Both the GBs are composed of similar structural units of three- and five-membered rings with different densities at the interface according to the rotation angle. The interface atoms with larger atomic volumes reveal higher magnetic moments than the bulk value, while the interface atoms with shorter bond lengths have reduced magnetic moments in each GB. The charge density and local density of states reveal that the interface bonds with short bond lengths have more covalent nature, where minority-spin electrons play a dominant role as the typical nature of ferromagnetic Fe. In order to understand the structural stability of these GBs, we calculated the local energy and local stress for each atomic region using the scheme of Shiihara et al (2010 Phys. Rev. B 81 075441). In each GB, the interface atoms with larger atomic volumes and enhanced magnetic moments reveal larger local energy increase and tensile stress. The interface atoms constituting more covalent-like bonds with reduced magnetic moments have lower local energy increase, contributing to the stabilization, while compressive stress is generated at these atoms. The relative stability between the two GBs can be understood by the local energies at the structural units. The local energy and local stress analysis is a powerful tool to investigate the structural properties of GBs based on the behavior of valence electrons. (paper)

  7. A Framework for Dynamic Modeling of Surface-Structure Patches on Bed Load Transport in Coarse Grained Reaches

    Science.gov (United States)

    Strom, K. B.

    2010-12-01

    Mountain streams are the first link in the fluvial system and often have complex bed morphologies which make it difficult to develop simple quantitative expressions for sediment mass flux and stream flow resistance. Such expressions are important for landscape evolution modeling as well as stream management and restoration practices and efforts. Part of the difficulty lies in the fact that stream beds can have large variations in particle size and structural organization - both of which lead to variations in bed strength that can change as a function of time. This study presents a mathematical framework to account for the dynamic impact of surface-structure patches on bed strength and bed load transport under simplified conditions. The framework is based on conservation principles for tracking the exchange of mass between structured and unstructured surface patches in the bed during structure formation and breakup. Two main transport equations are solved for the mobile and stationary phases, and the exchange between the two is modeled using particle collision theory and a simple breakup model (figure 1). The experiments of Strom et al. (2004) are used to parameterize the model initial conditions, and calculated and experimentally observed transport rates are compared as a function of time. Conceptual sketch of the modeling framework for: (A) a gravel bed, and (B) an idealized bed of uniform spherical particles. Mass conservation equations are written for each phase (structured and unstructured) and then solved with time under varying conditions.

  8. Electrodeposition of nano-sized bismuth on copper foil as electrocatalyst for reduction of CO{sub 2} to formate

    Energy Technology Data Exchange (ETDEWEB)

    Lv, Weixin; Zhou, Jing; Bei, Jingjing [School of Chemistry and Chemical Engineering, Yancheng Institute of Technology, Yancheng, 224051 (China); Zhang, Rui, E-mail: zhangrui@ycit.cn [School of Chemistry and Chemical Engineering, Yancheng Institute of Technology, Yancheng, 224051 (China); Wang, Lei [Key Laboratory of Functional Inorganic Material Chemistry, Ministry of Education of the People’s Republic of China, Heilongjiang University, Harbin, 150080 (China); Xu, Qi [School of Chemistry and Chemical Engineering, Yancheng Institute of Technology, Yancheng, 224051 (China); Wang, Wei, E-mail: wangw@ycit.edu.cn [School of Chemistry and Chemical Engineering, Yancheng Institute of Technology, Yancheng, 224051 (China)

    2017-01-30

    Highlights: • Bi/Cu electrode was prepared by depositing nano-sized Bi catalyst on Cu foil. • The Bi/Cu electrode can reduce CO{sub 2} to formate with a low overpotential. • The energy efficiency for reduction of CO{sub 2} to formate can reach to 50%. • A Tafel slope of 128 mV decade{sup −1} was observed for producing formate. - Abstract: Electrochemical reduction of carbon dioxide (CO{sub 2}) to formate is energetically inefficient because high overpotential is required for reduction of CO{sub 2} to formate on most traditional catalysts. In this paper, a novel nano-sized Bi-based electrocatalyst deposited on a Cu foil has been synthesized, which can be used as a cathode for electrochemical reduction of CO{sub 2} to formate with a low overpotential (0.69 V) and a high selectivity (91.3%). The electrocatalyst can show excellent catalytic performance toward reduction of CO{sub 2} which can probably be attributed to the nano-sized structure and the surface oxide layer. The energy efficiency for reduction of CO{sub 2} to formate can reach to 50% when an Ir{sub x}Sn{sub y}Ru{sub z}O{sub 2}/Ti electrode is used as anode, it is one of the highest values found in the literatures and very practicable for sustainable fuel synthesis.

  9. Nanosized Selenium: A Novel Platform Technology to Prevent Bacterial Infections

    Science.gov (United States)

    Wang, Qi

    As an important category of bacterial infections, healthcare-associated infections (HAIs) are considered an increasing threat to the safety and health of patients worldwide. HAIs lead to extended hospital stays, contribute to increased medical costs, and are a significant cause of morbidity and mortality. In the United States, infections encountered in the hospital or a health care facility affect more than 1.7 million patients, cost 35.7 billion to 45 billion, and contribute to 88,000 deaths in hospitals annually. The most conventional and widely accepted method to fight against bacterial infections is using antibiotics. However, because of the widespread and sometimes inappropriate use of antibiotics, many strains of bacteria have rapidly developed antibiotic resistance. Those new, stronger bacteria pose serious, worldwide threats to public health and welfare. In 2014, the World Health Organization (WHO) reported antibiotic resistance as a global serious threat that is no longer a prediction for the future but is now reality. It has the potential to affect anyone, of any age, in any country. The most effective strategy to prevent antibiotic resistance is minimizing the use of antibiotics. In recent years, nanomaterials have been investigated as one of the potential substitutes of antibiotics. As a result of their vastly increased ratio of surface area to volume, nanomaterials will likely exert a stronger interaction with bacteria which may affect bacterial growth and propagation. A major concern of most existing antibacterial nanomaterials, like silver nanoparticles, is their potential toxicity. But selenium is a non-metallic material and a required nutrition for the human body, which is recommended by the FDA at a 53 to 60 μg daily intake. Nanosized selenium is considered to be healthier and less toxic compared with many metal-based nanomaterials due to the generation of reactive oxygen species from metals, especially heavy metals. Therefore, the objectives of

  10. Diffusion of nanosized sodium inclusions in platinum

    International Nuclear Information System (INIS)

    Poulsen, J.R.; Horsewell, A.; Eldrup, M.; Johnson, E.; Johansen, A.

    1994-01-01

    Na inclusions with diameters in the range from 2 nm to 15 nm have been made by ion implantation of Na into 70 nm thick single-crystalline Pt foils followed by annealing. The structure of solid inclusions and the diffusion of molten inclusions have been studied by transmission electron microscopy. At room temperature the inclusions are faceted and crystalline with a BCC structure and they are aligned topotactically with the Pt (FCC) matrix. The diffusion of inclusions in the liquid state was investigated by annealing at temperatures of 1227 K, 1432 K and 1534 K. The results are used to propose a method to produce sources for positron annihilation spectroscopy at high temperatures. (author)

  11. A coarse graining approach to determine nucleic acid structures from small angle neutron scattering profiles in solution

    Science.gov (United States)

    Zhou, J.; Krueger, S.; Gregurick, S. K.

    2005-01-01

    We present a theoretical method to calculate the small angle neutron scattering profile of nucleic acid structures in solution. Our approach is sensitive to the sequence and the structure of the nucleic acid. In order to test our approach, we apply this method to the calculation of the experimental scattered intensity of the decamer d(CCAACGTTGG)2 in H2O. This sequence was specifically chosen for this study as it is believed to adopt a canonical B-form structure in 0.3 M NaCl. We find that not only will our methodology reproduce the experimental scattered intensity for this sequence, but our method will also discriminate between B-, A- and Z-form DNA. By studying the scattering profile of this structure in 0.5 and 1.0 M NaCl, we are also able to identify tetraplex and other similar oligomers formation and to model the complex using the experimental scattering data in conjunction with our methodology. PMID:16282586

  12. MATHEMATICAL MODEL OF GRAIN MICRONIZATION

    Directory of Open Access Journals (Sweden)

    V. A. Afanas’ev

    2014-01-01

    Full Text Available Summary. During micronisation grain moisture evaporates mainly in decreasing drying rate period. Grain layer located on the surface of the conveyor micronisers will be regarded as horizontal plate. Due to the fact that the micronisation process the surface of the grain evaporates little moisture (within 2-7 % is assumed constant plate thickness. Because in the process of micronization grain structure is changing, in order to achieve an exact solution of the equations necessary to take into account changes thermophysical, optical and others. Equation of heat transfer is necessary to add a term that is responsible for the infrared heating. Because of the small thickness of the grain, neglecting the processes occurring at the edge of the grain, that is actually consider the problem of an infinite plate. To check the adequacy of the mathematical model of the process of micronisation of wheat grain moisture content must be comparable to the function of time, obtained by solving the system of equations with the measured experimental data of experience. Numerical solution of a system of equations for the period of decreasing drying rate is feasible with the help of the Maple 14, substituting the values of the constants in the system. Calculation of the average relative error does not exceed 7- 10 %, and shows a good agreement between the calculated data and the experimental values.

  13. Ferroelectric domain continuity over grain boundaries

    DEFF Research Database (Denmark)

    Mantri, Sukriti; Oddershede, Jette; Damjanovic, Dragan

    2017-01-01

    Formation and mobility of domain walls in ferroelectric materials is responsible for many of their electrical and mechanical properties. Domain wall continuity across grain boundaries has been observed since the 1950's and is speculated to affect the grain boundary-domain interactions, thereby...... techniques in manipulating the micro-structure and domain structure to result in desired interactions between neighbouring grains could prove to be beneficial for future polycrystalline ferroelectric materials....

  14. Building a fructan LC–MS2 library and its application to reveal the fine structure of cereal grain fructans

    DEFF Research Database (Denmark)

    Verspreet, Joran; Hansen, Anders Holmgaard; Harrison, Scott James

    2017-01-01

    and five. This library enables a rapid and unambiguous detection of these 18 fructan structures in any type of sample without the need for fructan purification or the synthesis of fructan standards. Its wide applicability is demonstrated by the analysis of fructans in a set of cereal flour samples. Marked...... differences were observed in the types of fructans present in oat, barley, rye, spelt and wheat flour. A putative link between the accumulation of certain fructan types and cereal phylogeny is described....

  15. Preparation, characterization and application of nanosized copper ferrite photocatalysts for dye degradation under UV irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Zaharieva, Katerina, E-mail: zaharieva@ic.bas.bg [Institute of Catalysis, Bulgarian Academy of Sciences, Acad. G. Bonchev St., Block 11, 1113 Sofia (Bulgaria); Rives, Vicente, E-mail: vrives@usal.es [GIR-QUESCAT, Dpto. Química Inorgánica, Universidad de Salamanca, 37008 Salamanca (Spain); Tsvetkov, Martin, E-mail: mptsvetkov@gmail.com [Faculty of Chemistry and Pharmacy, St. Kliment Ohridski University of Sofia, 1 J. Bourchier Blvd., 1164 Sofia (Bulgaria); Cherkezova-Zheleva, Zara, E-mail: zzhel@ic.bas.bg [Institute of Catalysis, Bulgarian Academy of Sciences, Acad. G. Bonchev St., Block 11, 1113 Sofia (Bulgaria); Kunev, Boris, E-mail: bkunev@ic.bas.bg [Institute of Catalysis, Bulgarian Academy of Sciences, Acad. G. Bonchev St., Block 11, 1113 Sofia (Bulgaria); Trujillano, Raquel, E-mail: rakel@usal.es [GIR-QUESCAT, Dpto. Química Inorgánica, Universidad de Salamanca, 37008 Salamanca (Spain); Mitov, Ivan, E-mail: mitov@ic.bas.bg [Institute of Catalysis, Bulgarian Academy of Sciences, Acad. G. Bonchev St., Block 11, 1113 Sofia (Bulgaria); Milanova, Maria, E-mail: nhmm@wmail.chem.uni-sofia.bg [Faculty of Chemistry and Pharmacy, St. Kliment Ohridski University of Sofia, 1 J. Bourchier Blvd., 1164 Sofia (Bulgaria)

    2015-06-15

    Nanosized copper ferrite-type materials (Cu{sub x}Fe{sub 3–x}O{sub 4}, 0 ≤ x ≤ 1) have been prepared by combination of co-precipitation and mechanochemical activation and/or thermal treatment. The crystalline structure and morphology of the obtained ferrite nanopowders have been characterized by different instrumental methods, such as Powder X-ray diffraction (PXRD), Mössbauer and FT-IR spectroscopies, specific surface area and porosity measurements, thermal analyses (Differential Thermal Analysis and Thermogravimetric Analysis) and Temperature-Programmed Reduction. The average crystallite size of copper ferrites ranged between 7.8 and 14.7 nm and show a superparamagnetic and collective magnetic excitations nature. The photocatalytic decolorization of Malachite green oxalate under different UV illumination intervals was examined using these copper ferrites as photocatalysts. The results indicate that the prepared nanostructured copper ferrites showed enhanced photocatalytic activity and amount adsorbed Malachite Green dye. The co-precipitated nanosized copper ferrite powder with a low content of copper metal ions in a magnetite host structure (Cu{sub 0.25}Fe{sub 2.75}O{sub 4}) showed an apparent pseudo-first-order rate constant 15.4 × 10{sup −3} min{sup −1} and an amount adsorbed Malachite Green as model organic dye pollutant per 1 g catalyst of 33.4 ppm/g after the dark period. The results confirm that the copper ferrites can be suitable for photocatalytic treatment of wastewaters containing organic dyes. The new aspect of presented investigations is to study the influence of different degree of incorporation of copper ions into the magnetite host structure and preparation methods on the photocatalytic properties of nanosized copper ferrite materials and obtaining of potential photocatalyst (Cu{sub 0.25}Fe{sub 2.75}O{sub 4}) with higher photocatalytic activity (15.4 × 10{sup −3} min{sup −1}) than that of the standard referent Degussa P25 (12 × 10

  16. Preparation, characterization and application of nanosized copper ferrite photocatalysts for dye degradation under UV irradiation

    International Nuclear Information System (INIS)

    Zaharieva, Katerina; Rives, Vicente; Tsvetkov, Martin; Cherkezova-Zheleva, Zara; Kunev, Boris; Trujillano, Raquel; Mitov, Ivan; Milanova, Maria

    2015-01-01

    Nanosized copper ferrite-type materials (Cu x Fe 3–x O 4 , 0 ≤ x ≤ 1) have been prepared by combination of co-precipitation and mechanochemical activation and/or thermal treatment. The crystalline structure and morphology of the obtained ferrite nanopowders have been characterized by different instrumental methods, such as Powder X-ray diffraction (PXRD), Mössbauer and FT-IR spectroscopies, specific surface area and porosity measurements, thermal analyses (Differential Thermal Analysis and Thermogravimetric Analysis) and Temperature-Programmed Reduction. The average crystallite size of copper ferrites ranged between 7.8 and 14.7 nm and show a superparamagnetic and collective magnetic excitations nature. The photocatalytic decolorization of Malachite green oxalate under different UV illumination intervals was examined using these copper ferrites as photocatalysts. The results indicate that the prepared nanostructured copper ferrites showed enhanced photocatalytic activity and amount adsorbed Malachite Green dye. The co-precipitated nanosized copper ferrite powder with a low content of copper metal ions in a magnetite host structure (Cu 0.25 Fe 2.75 O 4 ) showed an apparent pseudo-first-order rate constant 15.4 × 10 −3 min −1 and an amount adsorbed Malachite Green as model organic dye pollutant per 1 g catalyst of 33.4 ppm/g after the dark period. The results confirm that the copper ferrites can be suitable for photocatalytic treatment of wastewaters containing organic dyes. The new aspect of presented investigations is to study the influence of different degree of incorporation of copper ions into the magnetite host structure and preparation methods on the photocatalytic properties of nanosized copper ferrite materials and obtaining of potential photocatalyst (Cu 0.25 Fe 2.75 O 4 ) with higher photocatalytic activity (15.4 × 10 −3 min −1 ) than that of the standard referent Degussa P25 (12 × 10 −3 min −1 ) for degradation of organic dye

  17. Anatomy of a turbidity current: Concentration and grain size structure of a deep-sea flow revealed by multiple-frequency acoustic profilers

    Science.gov (United States)

    Simmons, S.; Parsons, D. R.; Paull, C. K.; Barry, J.; Chaffey, M. R.; Gwiazda, R.; O'Reilly, T. C.; Maier, K. L.; Rosenberger, K. J.; Talling, P.; Xu, J.

    2017-12-01

    Turbidity currents are responsible for transporting large volumes of sediment to the deep ocean, yet remain poorly understood due to the limited number of field observations of these episodic, high energy events. As part of the Monterey Coordinated Canyon Experiment high resolution, sub-minute acoustic velocity and backscatter profiles were acquired with downward-looking acoustic Doppler current profilers (ADCPs) distributed along the canyon on moorings at depths ranging from 270 to 1,900 m over a period of 18 months. Additionally, three upward-looking ADCPs on different frequencies (300, 600 and 1200 kHz) profiled the water column above a seafloor instrument node (SIN) at 1850 m water depth. Traps on the moorings collected sediment carried by the flows at different heights above the seafloor and sediment cores were taken to determine the depositional record produced by the flows. Several sediment-laden turbidity flows were observed during the experiment, three of which ran out for more than 50 km to water depths of greater than 1,900 m and were observed on all of the moorings. Flow speeds of up to 6 m/s were observed and individual moorings, anchored by railroad wheels, moved up to 7.8 km down-canyon during these powerful events. We present results based on a novel analysis of the multiple-frequency acoustic data acquired by the ADCPs at the SIN integrated with grain size data from the sediment traps, close to the deepest mooring in the array where the flow thickened to the 70 m height of the ADCP above the bed. The analysis allows, for the first time, retrieval of the suspended sediment concentration and vertical distribution of grain size structure within a turbidity in spectacular detail. The details of the stratification and flow dynamics will be used to re-evaluate and discuss our existing models for these deep-sea flows.

  18. Probing the structural dynamics of the CRISPR-Cas9 RNA-guided DNA-cleavage system by coarse-grained modeling.

    Science.gov (United States)

    Zheng, Wenjun

    2017-02-01

    In the adaptive immune systems of many bacteria and archaea, the Cas9 endonuclease forms a complex with specific guide/scaffold RNA to identify and cleave complementary target sequences in foreign DNA. This DNA targeting machinery has been exploited in numerous applications of genome editing and transcription control. However, the molecular mechanism of the Cas9 system is still obscure. Recently, high-resolution structures have been solved for Cas9 in different structural forms (e.g., unbound forms, RNA-bound binary complexes, and RNA-DNA-bound tertiary complexes, corresponding to an inactive state, a pre-target-bound state, and a cleavage-competent or product state), which offered key structural insights to the Cas9 mechanism. To further probe the structural dynamics of Cas9 interacting with RNA and DNA at the amino-acid level of details, we have performed systematic coarse-grained modeling using an elastic network model and related analyses. Our normal mode analysis predicted a few key modes of collective motions that capture the observed conformational changes featuring large domain motions triggered by binding of RNA and DNA. Our flexibility analysis identified specific regions with high or low flexibility that coincide with key functional sites (such as DNA/RNA-binding sites, nuclease cleavage sites, and key hinges). We also identified a small set of hotspot residues that control the energetics of functional motions, which overlap with known functional sites and offer promising targets for future mutagenesis efforts to improve the specificity of Cas9. Finally, we modeled the conformational transitions of Cas9 from the unbound form to the binary complex and then the tertiary complex, and predicted a distinct sequence of domain motions. In sum, our findings have offered rich structural and dynamic details relevant to the Cas9 machinery, and will guide future investigation and engineering of the Cas9 systems. Proteins 2017; 85:342-353. © 2016 Wiley Periodicals

  19. In vitro study of nano-sized zinc doped bioactive glass

    Energy Technology Data Exchange (ETDEWEB)

    Goh, Yi-Fan; Alshemary, Ammar Z.; Akram, Muhammad [Department of Chemistry, Faculty of Science, Universiti Teknologi Malaysia, 81310 UTM skudai, Johor Darul Ta' zim (Malaysia); Abdul Kadir, Mohammed Rafiq [Medical Implant Technology Group, Faculty of Biomedical Engineering and Health Science, Universiti Teknologi Malaysia, 81310 UTMJohor Bahru (Malaysia); Hussain, Rafaqat, E-mail: rafaqat@kimia.fs.utm.my [IbnuSina Institute for Fundamental Science Studies, Universiti Teknologi Malaysia, 81310 UTM Johor Bahru, Johor DarulTa' zim (Malaysia)

    2013-01-15

    Surface reactivity in physiological fluid has been linked to bioactivity of a material. Past research has shown that bioactive glass containing zinc has the potential in bone regeneration field due to its enhanced bioactivity. However, results from literature are always contradictory. Therefore, in this study, surface reactivity of bioactive glass containing zinc was evaluated through the study of morphology and composition of apatite layer formed after immersion in simulated body fluid (SBF). Nano-sized bioactive glass with 5 and 10 mol% zinc were synthesized through quick alkali sol-gel method. The synthesized Zn-bioglass was characterized using field emission scanning electron microscope (FESEM), energy dispersive X-ray spectrometer (EDX), X-ray diffractometer (XRD) and Fourier transform infrared spectrometer (FTIR). Samples after SBF immersion were characterized using scanning electron microscope (SEM) and EDX. Morphological study through SEM showed the formation of spherical apatite particles with Ca/P ratio closer to 1.67 on the surface of 5 mol% Zn-bioglass. Whereas, the 10 mol% Zn-bioglass samples induced the formation of flake-like structure of calcite in addition to the spherical apatite particles with much higher Ca/P ratio. Our results suggest that the higher Zn content increases the bioactivity through the formation of bone-bonding calcite as well as the spherical apatite particles. -- Highlights: Black-Right-Pointing-Pointer Nano-sized bioactive glasses were synthesized through quick alkali sol-gel method. Black-Right-Pointing-Pointer 5 and 10 mol% Zn-bioglass induced the formation of spherical particles in SBF test. Black-Right-Pointing-Pointer 10 mol% Zn-bioglass also induced the formation of flake-like structure. Black-Right-Pointing-Pointer The flake-like structure is calcium carbonate; spherical particles are apatite. Black-Right-Pointing-Pointer High Zn contents negatively influence the chemical composition of the apatite layer.

  20. Pulsed electric field processing reduces the oxalate content of oca (Oxalis tuberosa) tubers while retaining starch grains and the general structural integrity of tubers.

    Science.gov (United States)

    Liu, Tingting; Burritt, David John; Eyres, Graham T; Oey, Indrawati

    2018-04-15

    The aims of this research were to investigate if pulsed electric field (PEF) treatments caused cellular/structural alterations in Oxalis tuberosa (oca) tubers and if PEF treatment could reduce tuber oxalate levels. Whole oca tubers were treated with PEF at different electric field strengths up to 1.2 kV/cm. PEF treatments above 0.5 kV/cm caused tubers to soften, but differences in the electrical properties of the tuber tissues led to an uneven PEF effect with the tuber inner cores softening more than the middle regions. Cell viability tests confirmed the unevenness of the PEF effect, however PEF caused no changes in overall tuber/tissue structure. Even at high electric field strengths the cell remained largely intact and most starch grains were retained within the cells. Despite the retention of starch, PEF treatment reduced tuber oxalate contents by almost 50% in some tissues and could potentially aid the development of low oxalate oca-based foods. Copyright © 2017 Elsevier Ltd. All rights reserved.

  1. Impact of Thermostats on Folding and Aggregation Properties of Peptides Using the Optimized Potential for Efficient Structure Prediction Coarse-Grained Model.

    Science.gov (United States)

    Spill, Yannick G; Pasquali, Samuela; Derreumaux, Philippe

    2011-05-10

    The simulation of amyloid fibril formation is impossible if one takes into account all chemical details of the amino acids and their detailed interactions with the solvent. We investigate the folding and aggregation of two model peptides using the optimized potential for efficient structure prediction (OPEP) coarse-grained model and replica exchange molecular dynamics (REMD) simulations coupled with either the Langevin or the Berendsen thermostat. For both the monomer of blocked penta-alanine and the trimer of the 25-35 fragment of the Alzheimer's amyloid β protein, we find little variations in the equilibrium structures and heat capacity curves using the two thermostats. Despite this high similarity, we detect significant differences in the populations of the dominant conformations at low temperatures, whereas the configurational distributions remain the same in proximity of the melting temperature. Aβ25-35 trimers at 300 K have an averaged β-sheet content of 12% and are primarily characterized by fully disordered peptides or a small curved two-stranded β-sheet stabilized by a disordered peptide. In addition, OPEP molecular dynamics simulations of Aβ25-35 hexamers at 300 K with a small curved six-stranded antiparallel β-sheet do not show any extension of the β-sheet content. These data support the idea that the mechanism of Aβ25-35 amyloid formation does not result from a high fraction of extended β-sheet-rich trimers and hexamers.

  2. Magnetic and charge ordering in nanosized manganites

    International Nuclear Information System (INIS)

    Zhang, T.; Wang, X. P.; Fang, Q. F.; Li, X. G.

    2014-01-01

    Perovskite manganites exhibit a wide range of functional properties, such as colossal magneto-resistance, magnetocaloric effect, multiferroic property, and some interesting physical phenomena including spin, charge, and orbital ordering. Recent advances in science and technology associated with perovskite oxides have resulted in the feature sizes of microelectronic devices down-scaling into nanoscale dimensions. The nanoscale perovskite manganites display novel magnetic and electronic properties that are different from their bulk and film counterparts. Understanding the size effects of perovskite manganites at the nanoscale is of importance not only for the fundamental scientific research but also for developing next generation of electronic and magnetic nanodevices. In this paper, the current understanding and the fundamental issues related to the size effects on the magnetic properties and charge ordering in manganites are reviewed, which covers lattice structure, magnetic and electronic properties in both ferromagnetic and antiferromagnetic based manganites. In addition to review the literatures, this article identifies the promising avenues for the future research in this area

  3. The inter-relationship between processing-induced molecular structure features and metabolic and digestive characteristics in hulled and hulless barley (Hordeum vulgare) grains with altered carbohydrate traits.

    Science.gov (United States)

    Yan, Xiaogang; Zhang, Fangyu; Yu, Peiqiang

    2017-03-01

    The present study aimed to determine the microwave irradiation (MIR)-induced changes in protein molecular structures in barley (Hordeum vulgare) grains in relation to the truly absorbable protein nutrient supply to ruminant livestock systems. Samples from hulled and hulless cultivars of barley, harvested in consecutive years from four replicate plots, were evaluated. The samples were either kept raw or were irradiated with microwaves for 3 min (MIR3) or 5 min (MIR5). The truly absorbable protein nutrient supply to ruminant livestock systems was evaluated using the DVE/OEB system (DVE, truly absorbed protein in the small intestine; OEB, degraded protein balance). Molecular structure changes as a result of processing were revealed by vibrational molecular spectroscopy in the mid-infrared electromagnetic radiation region. Compared to the raw samples, MIR processing decreased (P < 0.05) the truly absorbable microbial crude protein and increased (P < 0.05) the truly absorbable rumen undegraded protein and endogenous protein supply without affecting the total truly absorbed protein supply to the small intestine (DVE) and degraded protein balance (OEB) in ruminant livestock systems. Changes in protein molecular structure (spectral intensities) were highly correlated with the changes in the truly absorbed protein nutrient supply to ruminant livestock systems. The results of the present study show that the changes in protein molecular structure as a result of MIR feed processing were associated with the truly absorbed protein supply to ruminant livestock systems. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

  4. Residue energy and mobility in sequence to global structure and dynamics of a HIV-1 protease (1DIFA) by a coarse-grained Monte Carlo simulation

    Science.gov (United States)

    Pandey, R. B.; Farmer, B. L.

    2009-01-01

    Energy, mobility, and structural profiles of residues in a specific sequence of human immunodeficiency virus (HIV)-1 protease chain and its global conformation and dynamics are studied by a coarse-grained computer simulation model on a cubic lattice. HIV-1 protease is described by a chain of 99 residues (nodes) in a specific sequence (1DIFA) with N- and C-terminals on the lattice, where empty lattice sites represent an effective solvent medium. Internal structures of the residues are ignored but their specificities are captured via an interaction (ɛij) matrix (residue-residue, residue-solvent) of the coefficient (fɛij) of the Lennard-Jones potential. Simulations are performed for a range of interaction strength (f ) with the solvent-residue interaction describing the quality of the solvent. Snapshots of the protein show considerable changes in the conformation of the protein on varying the interaction. From the mobility and energy profiles of the residues, it is possible to identify the active (and not so active) segments of the protein and consequently their role in proteolysis. Contrary to interaction thermodynamics, the hydrophobic residues possess higher configurational energy and lower mobility while the electrostatic and polar residues are more mobile despite their lower interaction energy. Segments of hydrophobic core residues, crucial for the structural evolution of the protein are identified—some of which are consistent with recent molecular dynamics simulation in context to possible clinical observations. Global energy and radius of gyration of the protein exhibit nonmonotonic dependence on the interaction strength (f) with opposite trends, e.g., rapid transition into globular structure with higher energy. Variations of the rms displacement of the protein and that of a tracer residue, Gly49, with the time steps show how they slow down on increasing the interaction strength.

  5. Analysis of Strengthening Mechanisms in an Artificially Aged Ultrafine Grain 6061 Aluminum Alloy

    Directory of Open Access Journals (Sweden)

    Mohammad Reza Rezaei

    2017-12-01

    Full Text Available The current study adopted a quantitative approach to investigating the mechanical properties, and their relationship to the microstructural features, of precipitation-strengthened 6061 aluminum alloy processed through accumulative roll bonding (ARB and aging heat treatment.  To serve this purpose, the contributions of different strengthening mechanisms including grain refinement, precipitation, dislocation and solid-solution strengthening to the yield strength of five-cycle ARB samples processed under pre-aged (ARBed and aged (ARBed+Aged conditions were examined and compared. Microstructural characterizations were performed on the samples through the transmission electron microscope (TEM and X-ray diffraction (XRD. Also, the mechanical properties of the samples were investigated through the tensile test. The obtained results showed that an equiaxed ultrafine grain structure with nano-sized precipitates was created in the both ARBed and ARBed+Aged samples. The grain refinement was the predominant strengthening mechanism which was estimated to contribute 151 and 226 MPa to the ARBed and ARBed+Aged samples, respectively, while the dislocation and Orowan strengthening mechanisms were ranked second with regard to their contributions to the ARBed and ARBed+Aged samples, respectively. The overall yield strength, calculated through the root mean square summation method, was found to be in good agreement with the experimentally determined yield strength. It was also found that the presence of non-shearable precipitates, which interfered with the movement of the dislocations, would be effective for the simultaneous improvement of the strength and ductility of the ARBed+Agedsample .

  6. Fabrication of nano-structured UO2 fuel pellets

    International Nuclear Information System (INIS)

    Yang, Jae Ho; Kang, Ki Won; Rhee, Young Woo; Kim, Dong Joo; Kim, Jong Heon; Kim, Keon Sik; Song, Kun Woo

    2007-01-01

    Nano-structured materials have received much attention for their possibility for various functional materials. Ceramics with a nano-structured grain have some special properties such as super plasticity and a low sintering temperature. To reduce the fuel cycle costs and the total mass of spent LWR fuels, it is necessary to extend the fuel discharged burn-up. In order to increase the fuel burn-up, it is important to understand the fuel property of a highly irradiated fuel pellet. Especially, research has focused on the formation of a porous and small grained microstructure in the rim area of the fuel, called High Burn-up Structure (HBS). The average grain size of HBS is about 300nm. This paper deals with the feasibility study on the fabrication of nano-structured UO 2 pellets. The nano sized UO 2 particles are prepared by a combined process of a oxidation-reducing and a mechanical milling of UO 2 powder. Nano-structured UO 2 pellets (∼300nm) with a density of ∼93%TD can be obtained by sintering nano-sized UO 2 compacts. The SEM study reveals that the microstructure of the fabricated nano-structure UO 2 pellet is similar to that of HBS. Therefore, this bulk nano-structured UO 2 pellet can be used as a reference pellet for a measurement of the physical properties of HBS

  7. The Direct Observation of Grain Refinement Mechanism in Advanced Multicomponent γ-TiAl Based Structural Intermetallics Doped with Boron

    Science.gov (United States)

    Kartavykh, A. V.; Gorshenkov, M. V.; Podgorny, D. A.

    The synthesis of Ti-44Al-5Nb-2Cr-1.5Zr-0.4B-0.07La and Ti-44Al-5Nb-1Cr-1.5Zr-1B-0.17La (at.%) intermetallic alloys was performed from pure metals by the electron beam semi-continuous casting technique. Alloys are characterized by convoluted microstructure whose refinement is progressive with the boron content increase. The specimens were analyzed using JEOL JSM6610 scanning electron microscope (SEM ) equipped with electron backscatter diffraction and energy dispersive X-ray spectroscopy (EDX ) systems. The boron alloying causes precipitation of micro-dimensional complex (Ti,Nb)B borides within solidifying melt. These particles-inoculants promote the formation of finer microstructure. Auger spectrometry was applied for quantitative elemental analysis of borides, using PHI-680 device. It was proven that the origin of structure refinement consists in solid-phase seeding and germination of α2-Ti3Al-phase on (Ti,Nb)B ribbon-like colonies with subsequent growth of α2-laths through the volumetrically prevailing γ-TiAl domains. We fixed several consecutive stages of microstructure refinement process. The description of these stages is supported with the dimensional, crystallographic and compositional characterization of microstructural constituents. The work provides a basis for new techniques of microstructure/mechanical properties engineering of studied materials.

  8. Waste utilization for the controlled synthesis of nanosized hydroxyapatite

    Energy Technology Data Exchange (ETDEWEB)

    Nayar, Suprabha, E-mail: Suprabha.nayar@gmail.com [National Metallurgical Laboratory, Jamshedpur (India); Guha, Avijit [National Metallurgical Laboratory, Jamshedpur (India)

    2009-05-05

    This work uses biomolecules in waste and medicinally important materials for the synthesis of hydroxyapatite nanoparticles. Orange and potato peel, eggshell, papaya leaf and calendula flower extracts have varied biomolecules, which exert a significant, control on the in situ synthesis of nanosized hydroxyapatite particles. The biomimetic synthesis of inorganic particles using known matrices is already well established, however, there are only a few reports using compound extracts. The synthesized nanocomposite has been characterized using X-ray diffraction, Fourier transform infrared spectroscopy and scanning electron microscopy studies. Role of varied biomolecules in controlled inorganic synthesis may have tremendous technological impact.

  9. An engineered polypeptide around nano-sized manganese-calcium oxide: copying plants for water oxidation.

    Science.gov (United States)

    Najafpour, Mohammad Mahdi; Ghobadi, Mohadeseh Zarei; Sarvi, Bahram; Haghighi, Behzad

    2015-09-14

    Synthesis of new efficient catalysts inspired by Nature is a key goal in the production of clean fuel. Different compounds based on manganese oxide have been investigated in order to find their water-oxidation activity. Herein, we introduce a novel engineered polypeptide containing tyrosine around nano-sized manganese-calcium oxide, which was shown to be a highly active catalyst toward water oxidation at low overpotential (240 mV), with high turnover frequency of 1.5 × 10(-2) s(-1) at pH = 6.3 in the Mn(III)/Mn(IV) oxidation range. The compound is a novel structural and efficient functional model for the water-oxidizing complex in Photosystem II. A new proposed clever strategy used by Nature in water oxidation is also discussed. The new model of the water-oxidizing complex opens a new perspective for synthesis of efficient water-oxidation catalysts.

  10. Spectroscopy of nanosized composites silicon-organic polymer/nanoporous silicas

    International Nuclear Information System (INIS)

    Ostapenko, N.; Kozlova, N.; Suto, S.; Watanabe, A.

    2006-01-01

    Fluorescence and excitation spectra (T=5-290 K) of nanosized silicon-organic polymers poly(di-n-hexylsilane) and poly(methyl(phenyl)silane) incorporated into porous silica materials MCM-41 and SBA-15 have been studied with varying pore diameter from 2.8 to 10 nm. The controlled variation of the pore diameter in a wide range (2.8-10 nm) permitted us, for the first time, to investigate the optical properties of the polymers on their transition from isolated macromolecules to a film. It is found that this transition depends on polymer type and occurs via the formation of new spatially independent structures of the polymers not observed in the spectra of the film, namely, via the formation of disordered and (or) ordered conformations of polymer chains and clusters

  11. Detection of micro- and nano-sized biocompatible particles in the blood.

    Science.gov (United States)

    Gatti, A M; Montanari, S; Monari, E; Gambarelli, A; Capitani, F; Parisini, B

    2004-04-01

    The research deals with new scanning electron microscopic evaluations of the interface between blood and explanted temporary vena cava filters from patients affected by blood disorders. The biological tissues adherent to the filter and the small thrombi formed in vivo were detached from the metallic structure of the device, fixed, dehydrated and prepared for the histological and the electron microscopy. The analyses showed that both samples (thrombus and newly formed tissue) contained foreign, in some cases nano-sized, bodies. The chemistry of these particles was different and varied, and unusual compounds containing non-biocompatible elements like bismuth, lead, wolfram, tungsten were also detected. The interaction between these debris travelling in the blood stream and the blood itself leads to suspect that the formation of the thrombus can originate from these inorganic and inert foreign bodies that act as triggering agent of the blood coagulation.

  12. The role of stable interface in nano-sized FeNbO4 as anode electrode for lithium-ion batteries

    International Nuclear Information System (INIS)

    Wang, Ting; Shi, Shaojun; Kong, Fanjun; Yang, Gang; Qian, Bin; Yin, Fan

    2016-01-01

    Graphical abstract: After dozens of charge/discharge cycles, the electrode of Nano-FNO remains the homogeneous combination with active material and conductive carbon, but the microcrystals in Micro-FNO electrode are cracked to small particles. The pulverization of Micro-FNO not only blocks the transfer of Li + and electrons due to the separation of the active material and conductive carbon, but also results in the falling of active material from the current collector. Nano-FNO can remain the excellent capacity after dozens of cycles. - Abstract: Nano-sized FeNbO 4 (Nano-FNO) with an average diameter of 120 nm is facilely prepared by co-precipitation method. Bulk FeNbO 4 (Micro-FNO) as a comparison synthesized by conventional solid-state synthesis has an average grain size of 3–10 μm. In the high-resolution transmission electron microscopy (HRTEM) images, Nano-FNO reveals an ordered single crystal structure, but Mirco-FNO is composed of disordered crystallites with different crystal orientation. Nano-FNO as anode material delivers the initial capacity of 475 mAh g −1 which is much higher than Micro-FNO electrode of 250 mAh g −1 .After dozens of charge/discharge cycles, the electrode of Nano-FNO remains the homogeneous combination with active material and conductive carbon, but the microcrystals in Micro-FNO electrode are cracked to small particles. The pulverization of Micro-FNO not only blocks the transfer of Li + and electrons due to the separation between the active material and conductive carbon, but also results in the falling of active material from the current collector. Compared with the weakened electrochemical performances of Micro-FNO, Nano-FNO remains the excellent capacity after dozens of cycles. The charge transfer resistances of Nano-FNO and Micro-FNO after several cycles are further studied by fitting their electrochemical impedance spectra.

  13. Grain-boundary engineering applied to grain growth in a high temperature material

    International Nuclear Information System (INIS)

    Huda, Z.

    1993-01-01

    Crystallography of grain boundaries are determined for a high temperature material, before and after grain growth processes, so as to study the induction of special properties useful for application in components of a gas-turbine engine. The philosophy of grain-boundary engineering is applied to grain growth in APK-6, a powder formed nickel-base superalloy so as to establish the possible structure/property relationships. The alloy in the as received condition is shown to possess a strong texture and contained coincident site lattices (CSL) boundaries with most boundaries having sigma values in the range of 3 > sigma > 25. A normal grain-growth heat treatment result in a good population of low angle grain boundaries, and drastically reduces the proportion of CSL boundaries. A strong [011] annealing texture is observed after an intermediate grain growth; most grain boundaries, here, tend to be high angle indicating a possibility of possessing special properties. (author)

  14. The Role of Grain Boundary Energy on Grain Boundary Complexion Transitions

    Energy Technology Data Exchange (ETDEWEB)

    Bojarski, Stephanie A. [Carnegie Mellon Univ., Pittsburgh, PA (United States). Dept. of Materials Science and Engineering; Rohrer, Gregory S. [Carnegie Mellon Univ., Pittsburgh, PA (United States). Dept. of Materials Science and Engineering

    2014-09-01

    Grain boundary complexions are distinct equilibrium structures and compositions of a grain boundary and complexion transformations are transition from a metastable to an equilibrium complexion at a specific thermodynamic and geometric conditions. Previous work indicates that, in the case of doped alumina, a complexion transition that increased the mobility of transformed boundaries and resulted in abnormal grain growth also caused a decrease in the mean relative grain boundary energy as well as an increase in the anisotropy of the grain boundary character distribution (GBCD). The current work will investigate the hypothesis that the rates of complexion transitions that result in abnormal grain growth (AGG) depend on grain boundary character and energy. Furthermore, the current work expands upon this understanding and tests the hypothesis that it is possible to control when and where a complexion transition occurs by controlling the local grain boundary energy distribution.

  15. Fractal dust grains in plasma

    International Nuclear Information System (INIS)

    Huang, F.; Peng, R. D.; Liu, Y. H.; Chen, Z. Y.; Ye, M. F.; Wang, L.

    2012-01-01

    Fractal dust grains of different shapes are observed in a radially confined magnetized radio frequency plasma. The fractal dimensions of the dust structures in two-dimensional (2D) horizontal dust layers are calculated, and their evolution in the dust growth process is investigated. It is found that as the dust grains grow the fractal dimension of the dust structure decreases. In addition, the fractal dimension of the center region is larger than that of the entire region in the 2D dust layer. In the initial growth stage, the small dust particulates at a high number density in a 2D layer tend to fill space as a normal surface with fractal dimension D = 2. The mechanism of the formation of fractal dust grains is discussed.

  16. Luminescence properties of YAG: Nd 3 nano-sized ceramic powders ...

    Indian Academy of Sciences (India)

    Nano-sized ceramic powders with weaker aggregation of Nd3+-doped yttrium aluminum garnet (YAG:Nd3+) were synthesized via co-microemulsion and microwave heating. This method provides a limited small space in a micelle for the formation of nano-sized precursors. It also requires a very short heating time, thus ...

  17. Bottom-up coarse-grained models with predictive accuracy and transferability for both structural and thermodynamic properties of heptane-toluene mixtures

    International Nuclear Information System (INIS)

    Dunn, Nicholas J. H.; Noid, W. G.

    2016-01-01

    This work investigates the promise of a “bottom-up” extended ensemble framework for developing coarse-grained (CG) models that provide predictive accuracy and transferability for describing both structural and thermodynamic properties. We employ a force-matching variational principle to determine system-independent, i.e., transferable, interaction potentials that optimally model the interactions in five distinct heptane-toluene mixtures. Similarly, we employ a self-consistent pressure-matching approach to determine a system-specific pressure correction for each mixture. The resulting CG potentials accurately reproduce the site-site rdfs, the volume fluctuations, and the pressure equations of state that are determined by all-atom (AA) models for the five mixtures. Furthermore, we demonstrate that these CG potentials provide similar accuracy for additional heptane-toluene mixtures that were not included their parameterization. Surprisingly, the extended ensemble approach improves not only the transferability but also the accuracy of the calculated potentials. Additionally, we observe that the required pressure corrections strongly correlate with the intermolecular cohesion of the system-specific CG potentials. Moreover, this cohesion correlates with the relative “structure” within the corresponding mapped AA ensemble. Finally, the appendix demonstrates that the self-consistent pressure-matching approach corresponds to minimizing an appropriate relative entropy.

  18. Coarse-grained/molecular mechanics of the TAS2R38 bitter taste receptor: experimentally-validated detailed structural prediction of agonist binding.

    Directory of Open Access Journals (Sweden)

    Alessandro Marchiori

    Full Text Available Bitter molecules in humans are detected by ∼25 G protein-coupled receptors (GPCRs. The lack of atomic resolution structure for any of them is complicating an in depth understanding of the molecular mechanisms underlying bitter taste perception. Here, we investigate the molecular determinants of the interaction of the TAS2R38 bitter taste receptor with its agonists phenylthiocarbamide (PTC and propylthiouracil (PROP. We use the recently developed hybrid Molecular Mechanics/Coarse Grained (MM/CG method tailored specifically for GPCRs. The method, through an extensive exploration of the conformational space in the binding pocket, allows the identification of several residues important for agonist binding that would have been very difficult to capture from the standard bioinformatics/docking approach. Our calculations suggest that both agonists bind to Asn103, Phe197, Phe264 and Trp201, whilst they do not interact with the so-called extra cellular loop 2, involved in cis-retinal binding in the GPCR rhodopsin. These predictions are consistent with data sets based on more than 20 site-directed mutagenesis and functional calcium imaging experiments of TAS2R38. The method could be readily used for other GPCRs for which experimental information is currently lacking.

  19. Slip, twinning, and fracture at a grain boundary in the L1/sub 2/ ordered structure: A. sigma. = 9 tilt boundary

    Energy Technology Data Exchange (ETDEWEB)

    Yoo, M.H.; King, A.H.

    1988-09-01

    The role of interaction between slip dislocations and a ..sigma.. = 9 tilt boundary in localized microplastic deformation, cleavage, or intergranular fracture in the L1/sub 2/ ordered structure has been analyzed by using the anisotropic elasticity theory of dislocations and fracture. Screw superpartials cross slip easily at the boundary onto the (11-bar1) and the (001) planes at low and high temperatures, respectively. Transmission of primary slip dislocations onto the conjugate slip system occurs with a certain degree of difficulty, which is eased by localized disordering. When the transmission is impeded, cleavage fracture on the (1-bar11) plane is predicted to occur, not intergranular fracture, unless a symmetric double pileup occurs simultaneously. Absorption (or emission) of superpartials occurs only when the boundary region is disordered. Slip initiation from pre-existing sources near the boundary can occur under the local stress concentration. Implications of the present result on the inherent brittleness of grain boundaries in Ni/sub 3/ Al and its improvement by boron segregation are discussed.

  20. Application of Nanosize Zeolite Molecular Sieves for Medical Oxygen Concentration

    Directory of Open Access Journals (Sweden)

    Mingfei Pan

    2017-07-01

    Full Text Available The development of a portable oxygen concentrator is of prime significance for patients with respiratory problems. This paper presents a portable concentrator prototype design using the pressure/vacuum swing adsorption (PVSA cycle with a deep evacuation step (−0.82 barg instead of desorption with purge flow to simplify the oxygen production process. The output of the oxygen concentrator is a ~90 vol % enriched oxygen stream in a continuous adsorption and desorption cycle (cycle time ~90 s. The size of the adsorption column is 3 cm in diameter and 20 cm in length. A Li+ exchanged 13X nanosize zeolite is used as the adsorbent to selectively adsorb nitrogen from air. A dynamic model of the pressure and vacuum swing adsorption units was developed to study the pressurization and depressurization process inside the microporous area of nanosized zeolites. The describing equations were solved using COMSOL Multiphysics Chemical Engineering module. The output flow rate and oxygen concentration results from the simulation model were compared with the experimental data. Velocity and concentration profiles were obtained to study the adsorption process and optimize the operational parameters.

  1. From palaeotectonics to neotectonics in the Neotethys realm: The importance of kinematic decoupling and inherited structural grain in SW Anatolia (Turkey)

    Science.gov (United States)

    ten Veen, J. H.; Boulton, S. J.; Alçiçek, M. C.

    2009-07-01

    In order to asses young, i.e. "neotectonic" fault kinematics and the relation with plate-tectonic processes in SW Turkey we focused on the questions: 1) what produced the structural grain, i.e. how and when are faults generated, 2) what was/is the kinematic behaviour of these faults and 3) during which period(s) were these faults active? Firstly, the distribution of faults has been investigated using a lineament analysis performed on satellite imagery and digital elevation models. We define five main tectonic domains in SW Turkey: 1 and 2) the Northern and Southern Western Anatolian extensional provinces; 3) the eastern Hellenic arc (including Rhodes Island and the submarine Anaximander mountains); 4) The Lycian Taurides and 5) the western limb of the Isparta Angle. Lineament analysis reveals dominance of three lineament groups, i.e. NNE-, ENE-, and WNW-trending, in all identified domains. Variations in the relative importance of lineament groups exist and are attributed to the specific tectonic evolution of each domain. A synthesis of recently published field data shows that the onset of activity of related fault groups is neither synchronous, nor uniform. The "structural grain" for the neotectonic deformation in SW Turkey is formed during the last stage of palaeotectonic deformation (stage 1), which is dominated by the onset of the Menderes Massif exhumation along a top-N major detachment, the Datça break-away fault [Seyitoğlu, G., Işık, V., and Çemen, İ., 2004. Complete Tertiary exhumation history of the Menderes massif, western Turkey: an alternative working hypothesis. Terra Nova, 16, 358-364.], and related SE-ward sliding of the Lycian Nappes in the footwall of this fault. This stage is characterized by spatially variable types of deformation that are delineated by, from NW to SE, the Datça Fault around the Menderes-Lycian contact zone and the Lycian frontal thrust zone, respectively. The kinematic decoupling along these structures explains the co

  2. TEM and AFM study of WO3 nanosize growth on α-Al2O3

    International Nuclear Information System (INIS)

    Al-Mohammad, A.

    2007-07-01

    WO 3 thin films have been deposited by thermal evaporation on (0001) and (1012 ) planes of alumina oxide single crystal and annealed either in Oxygen or in air atmosphere. The morphology and crystallographic structure of films (as-deposited and annealed films) have been characterized by Atomic Force Microscope (AFM), transmission electron microscope (TEM), and transmission electron diffraction (TED). During annealing, the films undergo important morphological and structural changes. The annealed films exhibit large grains. These grains have the monoclinic structure in epitaxial orientations. The grains are made of twinned microdomains elongated in the [100] direction resulting of a preferential growth. The microdomains are along the three different directions on the (0001) α-Al 2 O 3 surface and only one direction on the (1012 ) α-Al 2 O 3 one.(author)

  3. Marketing Farm Grain Crops.

    Science.gov (United States)

    Ridenour, Harlan E.

    This vocational agriculture curriculum on grain marketing contains three parts: teacher guide, student manual, and student workbook. All three are coordinated and cross-referenced. The course is designed to give students of grain marketing a thorough background in the subject and provide practical help in developing grain marketing strategies for…

  4. Development of Niobium Boron grain retainer for aluminium silicon alloys

    OpenAIRE

    Nowak, Magdalena

    2011-01-01

    This thesis was submitted for the degree of Doctor of Philosophy and awarded by Brunel University Aluminium castings with a large grain structure have poor mechanical properties which are primarily due to casting defects as opposed to fine grain structure. The grain refinement practice using chemical addition is well established for wrought alloys, however in the case of casting alloys, the practice of adding grain refiners and the impact on castability is not well established. The additio...

  5. Complex Chemistry on Interstellar Grains

    Science.gov (United States)

    Widicus Weaver, Susanna L.; Kelley, Matthew J.; Blake, Geoffrey A.

    Early interstellar chemical models considered complex molecule formation on grains [Allen & Robinson (1977)], but current models assume that simple molecules form on grains and subsequent gas phase ion-molecule reactions produce the more complex species [Ruffle & Herbst (2001), Charnley (2001)]. It has been shown, however, that gas phase ion-molecule reactions are insufficient for the production of such complex organic species as ethanol (CH3CH2OH) and methyl formate (CH3OCHO) [Horn et al. (2004)]. Organics such as acetaldehyde (CH3CHO), ethanol, methyl formate, acetic acid (CH3COOH), and glycolaldehyde (CH2OHCHO) have also been detected in high abundance in regions of grain mantle disruption or evaporation, indicating that these species are formed on grain surfaces [see Chengalur & Kanekar (2003), Bottinelli et al. (2004), Hollis et al. (2001)]. The mechanisms for complex molecule production on grains are clearly much more important, and much more complex, than has been recognized. Recent observational studies of these types of species have offered insight into the mechanisms for their possible grain surface synthesis. The relative hot core abundances of the 2C structural isomers methyl formate, acetic acid, and glycolaldehyde (52:2:1, respectively [Hollis et al. (2001)]) indicate that if they form on grains it is not from kinetically-controlled single-atom addition reactions. Likewise, the 3C aldose sugar, glyceraldehyde (CH2OHCHOHCHO), was not detected in Sgr B2(N-LMH) [Hollis et al. (2004)] while the 3C ketose sugar, dihydroxyacetone (CO(CH2OH)2) was detected in this source [Widicus Weaver & Blake (2005)]. Chemical pathways favoring the more stable carbonates over acids and aldehydes are required to explain these results. Interestingly, all of these species can be formed from reactions involving the abundant grain mantle constituents CO, HCOOH, and CH3OH and their radical precursors. A model has been developed to investigate this type of chemical network, and

  6. Nanosized Minicells Generated by Lactic Acid Bacteria for Drug Delivery

    Directory of Open Access Journals (Sweden)

    Huu Ngoc Nguyen

    2017-01-01

    Full Text Available Nanotechnology has the ability to target specific areas of the body, controlling the drug release and significantly increasing the bioavailability of active compounds. Organic and inorganic nanoparticles have been developed for drug delivery systems. Many delivery systems are through clinical stages for development and market. Minicell, a nanosized cell generated by bacteria, is a potential particle for drug delivery because of its size, safety, and biodegradability. Minicells produced by bacteria could drive therapeutic agents against cancer, microbial infection, and other diseases by targeting. In addition, minicells generated by lactic acid bacteria being probiotics are more interesting than others because of their benefits like safety, immunological improvement, and biodegradation. This review aims to highlight the stages of development of nanoparticle for drug delivery and discuss their advantages and limitations to clarify minicells as a new opportunity for the development of potential nanoparticle for drug delivery.

  7. Effect of nano-size oxide particle dispersion and δ-ferrite proportion on creep strength of 9Cr-ODS steel

    International Nuclear Information System (INIS)

    Ohtsuka, Satoshi; Kaito, Takeji; Kim, Sawoong; Inoue, Masaki; Asayama, Tai; Ohnuma, Masato; Suzuki, Junichi

    2009-01-01

    The effects of chemical compositions on the microstructure and high-temperature creep strength of 9Cr-ODS steel was discussed in the light of quantitative data of δ-ferrite proportion and nano-size oxide particle dispersion, which were evaluated by dilatometric analysis and small angle neutron/X-ray scattering analysis, respectively. These quantitative data are well consistent with the conventional data obtained by transmission electron microscope. Both data indicate that the important microstructural feature for creep strength improvement of the 9Cr-ODS steel is the number density of nano-size oxide particles, and ferrite/martensite (F/M) duplex structure is favorable for high population nano-size oxide particle dispersion. Both optimization of excess oxygen concentration and control of the F/M duplex structure are promising technique for nano-structure control of 9Cr-ODS steel. Tungsten solid solution strengthening appears to be small compared with oxide dispersion strengthening enhanced by duplex microstructure formation. (author)

  8. Morphology and phase identification of micron to nanosized manganese oxide (MnO) with variations in sintering time

    Science.gov (United States)

    Sasongko, Muhammad Ilman Nur; Puspitasari, Poppy; Yazirin, Cepi; Tsamroh, Dewi Izzatus; Risdanareni, Puput

    2017-09-01

    Manganese oxide (MnO) occurs in many rock types and may take the form of minerals. MnO has its drawbacks, namely highly reactive oxidizing species classified as dangerous and explosive at temperatures above 55 °C. Despite this,MnO has excellent magnetic, electrochemical, and conductivity properties, which should be reduced to nano-size to maximize their use and improve the properties of MnO. Phase and morphology characterization of powder this research aims to reduce the grain size of the MnO from micro to nano using the sol-gel method with various sintering times. Sol-gel is a simple synthesis method that has been proven capable of synthesizing a wide variety of micro-sized oxide materials into nano. Sintering time is a technique performed in the synthesis process to dry the material to a temperature above the normal temperature. The temperature used for sintering starting from 600 °C to 1000 °C. Characterizations were done using XRD, SEM, EDX, and FTIR machines. The sintering processes in this study used a temperature of 600 °C with different sintering periods of 30, 60 and 90 minutes. The XRD characterization with a 30-minute sintering time resulted in the smallest MnO in the form crystalline powder of 47.3 nm. The highest intensity (degree of crystallinity) found in MnO sintered for 90 minutes. The results of the morphological characterization of SEM showed a morphological change in MnO from micro-sized triangular to nano-sized spherical shape. The EDX characterization results indicated that the 30-minute sintering caused the lowest change in Mn and the highest change in O. The results of FTIR characterization showed a shift in C-H and Mn-O followed by an increase in the group of N-H, C=O and Mn-O.

  9. The enhanced photoactivity of nanosized Bi2WO6 catalyst for the degradation of 4-chlorophenol

    International Nuclear Information System (INIS)

    Fu Hongbo; Yao Wenqing; Zhang Liwu; Zhu Yongfa

    2008-01-01

    Nanosized Bi 2 WO 6 catalyst exhibited the enhanced photoactivity for the degradation of 4-chlorophenol (4-CP) under visible irradiation compared to the sample prepared by high-temperature solid reaction. The photoactivity of the catalyst was sensitive to pH variation of the suspension. Nanosized Bi 2 WO 6 catalyst showed the highest activity at pH 7.2. The photodegradation of 4-CP by nanosized Bi 2 WO 6 catalyst followed a pseudo-first-order reaction. After three recycling runs for the photodegradation of 4-CP, the activity of the catalyst did not show any significant loss, suggesting that the catalyst was stable under visible irradiation

  10. Formation of magnetic microstructure of the nanosized NiFe2O4 synthesized via solid-state reaction

    Directory of Open Access Journals (Sweden)

    Žák T.

    2012-01-01

    Full Text Available Magnetic NiFe2O4 structure formation was studied through structural, compositional and magnetic characterization of obtained reaction products of a simple, high yielding and low-cost solid-state reaction. Initial annealing of the starting oxides mixture at 700ºC did not allow us to observe formation of the desired magnetic phase. In contrast, subsequent thermomagnetic measurements up to 800ºC indicated the considerable increase of the magnetic moment, which can be reasonably assigned to the changes in phase composition and formation of magnetic NiFe2O4 structure during the heating cycle of measurements. Nanosized NiFe2O4 phase formation has been confirmed by the following XRD and MS phase analyses and its nanocrystalline structure by XRD and SEM/TEM techniques. The obtained hysteresis loop taken after TM measurements suggest the increased volume of magnetically active material and thus additionally support the previous findings.

  11. Hydrothermal quartz formation during fluctuations of brittle shear-zone activity and fluid flow: grain growth and deformation structures of the Pfahl shear zone (Germany)

    Science.gov (United States)

    Yilmaz, T.; Prosser, G.; Liotta, D.; Kruhl, J. H.

    2012-12-01

    , crosscutting the first generations of fine-grained quartz mass and the wall rocks, in connection to intense fracturing and brecciation. The complex geometry of the vein sets points to multiple fluid injections and brecciation, as additionally indicated by coarse quartz with different inclusion and CL intensity. Temporal changes of strain rate are indicated by crystal plastic deformation structures in quartz, which overprint brittle structures. (iv) The fourth quartz generation occurs in mm- to dm-thick quartz veins, partly open as geodes, filling N-S oriented cm- to dm-spaced fractures that crosscut the earlier quartz masses and veins and extend at least several meters into the wall rock. They indicate the last activity of the shear-zone in a constant kinematic framework. Summarizing, the Pfahl shear zone shows brittle-ductile deformation during the long-term activity of a large-scale hydrothermal system. Consequently, it represents an excellent example where different generations of quartz precipitation can be connected to fluctuations of fluid flow and strain rate.

  12. Ductility Enhancement of Molybdenum Phase by Nano-sized Oxide Dispersions

    Energy Technology Data Exchange (ETDEWEB)

    Kang, Bruce

    2008-07-18

    The objective of this research is to understand and to remedy the impurity effects for room-temperature ductility enhancement of molybdenum (Mo) based alloys by the inclusion of nano-sized metal oxide dispersions. This research combines theoretical, computational, and experimental efforts. The results will help to formulate systematic strategies in searching for better composed Mo-based alloys with optimal mechanical properties. For this project, majority of the research effort was directed to atomistic modeling to identify the mechanisms responsible for the oxygen embrittling and ductility enhancement based on fundamental electronic structure analysis. Through first principles molecular dynamics simulations, it was found that the embrittling impurity species were attracted to the metal oxide interface, consistent with previous experiments. Further investigation on the electronic structures reveals that the presence of embrittling species degrades the quality of the metallic chemical bonds in the hosting matrix in a number of ways, the latter providing the source of ductility. For example, the spatial flexibility of the bonds is reduced, and localization of the impurity states occurs to pin the dislocation flow. Rice’s criterion has been invoked to explain the connections of electronic structure and mechanical properties. It was also found that when impurity species become attracted to the metal oxide interface, some of the detrimental effects are alleviated, thus explaining the observed ductility enhancement effects. These understandings help to develop predictive capabilities to facilitate the design and optimization of Mo and other high temperature alloys (e.g. ODS alloys) for fossil energy materials applications. Based on the theoretical and computational studies, the experimental work includes the preparation of Mo powders mixed with candidate nano-sized metal oxides, which were then vacuum hot-pressed to make the Mo alloys. Several powder mixing methods

  13. WORLD GRAIN TRADE

    Directory of Open Access Journals (Sweden)

    Emilia Mary Bălan

    2017-04-01

    Full Text Available Grain is part of agricultural commodities and is of utmost importance for world agriculture,since it is the essential element of food and animal feed. Against this background, grain trade among countries of the world is dynamic and represents about 10% of global trade in food products.This article examines global grain trade both in terms of quantitative and qualitative developments, and highlights the most important competitor countries in this sector. It also details the patterns of grain trade for the world's main exporters and importers of such commodities.Two distinct sections of the research relate to the evolution of the primary grain quotations(wheat, corn, barley, rice and sorghum at the most representative international agricultural commodities markets (Chicago Board of Trade, based on a comprehensive statistical analysis, and the short-term forecasts for global grain trade, respectively.

  14. Structural and ferroelectrical properties of bismuth titanate ceramic powders prepared by mechanically assisted synthesis

    Directory of Open Access Journals (Sweden)

    Lazarević Z.Ž.

    2007-01-01

    Full Text Available Nanosized bismuth titanate, Bi4Ti3O12, was prepared via a high-energy ball milling process through mechanically assisted synthesis directly from the oxide mixture of Bi2O3 and TiO2. The Bi4Ti3O12 phase started to form after 1 h of milling. With increasing the milling time from 3 to 12 h, the particle size of formed Bi4Ti3O12 did not reduce significantly. The grain size was less than 16 nm and showed a strong tendency to agglomeration. The nucleation and phase formation of Bi4Ti3O12, crystal structure, microstructure, powder grain size and specific surface area were followed by XRD, Rietveld refinement analysis, SEM and the BET specific surface area measurements. Raman spectroscopy was used to explain the structural properties of Bi4Ti3O12 powder, prepared by mechanically assisted synthesis. Reduction in grain size with the increase of milling time was also noted (change in the position and relative intensity, which indicated changes in the structure, caused by nanodimension grains. The sample milled for 12 h and subsequently sintered at 1000°C for 24 h exhibited a hysteresis loop, confirming that the synthesized material possesses ferroelectric properties. .

  15. Antioxidant Effect of Pollen Grains and Soya Lecithin on Cadmium-induced Biochemical and Structural disorders in the Ovary of Female Rats during Estrus Cycle

    International Nuclear Information System (INIS)

    Mansour, S. Z.; Ramadan, F. L.

    2010-01-01

    This work aims at assessing the role of pollen grains with soya lecithin on cadmium-induced damage. Cadmium chloride was administered to female albino rats (0.5 mg/kg b. wt, i.p.) during 6 weeks. Pollen grains (54 mg/kg b.wt), and soya lecithin (18 mg/kg b.wt), were given, via gavages, 7 days before cadmium administration, and during cadmium treatment. The results demonstrate that cadmium exposure induces different distortions in ovarian tissues, fibrotic follicular cortex, appearance of atretic follicles, partial oocytes degeneration and significant decreases in the number of primordial, primary, secondary and antral follicles associated with significant increase in MDA levels , significant decreases in GSH content, GSH-Px, SOD and Cat activities. Significant increases in total saturated and monounsaturated fatty acids and significant decreases in polyunsaturated fatty acids levels were recorded. Significant decreases in plasma calcium, progesterone, estradiol and HDL-C and significant increases in triglycerides, total cholesterol, LDL-C levels were recorded. Administration of pollen grains with soya lecithin has significantly improved the antioxidant status and fatty acids levels associated with regeneration of ovarian tissues. Significant amelioration in saturated and unsaturated fatty acids, and hormones levels were also recorded. It is concluded that pollen grains with soya lecithin may protect the ovary during estrus cycle from cadmium-induced toxicity. Key words: pollen, soya lecithin, cadmium, oxidative stress, ovary, fatty acids, follicle numbers

  16. The Structure and Mechanical Properties of High-Strength Bulk Ultrafine-Grained Cobalt Prepared Using High-Energy Ball Milling in Combination with Spark Plasma Sintering

    Czech Academy of Sciences Publication Activity Database

    Marek, I.; Vojtěch, D.; Michalcová, A.; Kubatík, Tomáš František

    2016-01-01

    Roč. 9, č. 5 (2016), č. článku 391. ISSN 1996-1944 Institutional support: RVO:61389021 Keywords : ultrafine-grained material * cobalt * ball milling * spark plasma sintering * mechanical properties Subject RIV: JG - Metallurgy Impact factor: 2.654, year: 2016 www.mdpi.com/1996-1944/9/5/391/pdf

  17. Impact of grain size and structural changes on magnetic, dielectric, electrical, impedance and modulus spectroscopic characteristics of CoFe2O4 nanoparticles synthesized by honey mediated sol-gel combustion method

    Science.gov (United States)

    Singh Yadav, Raghvendra; Kuřitka, Ivo; Vilcakova, Jarmila; Havlica, Jaromir; Masilko, Jiri; Kalina, Lukas; Tkacz, Jakub; Švec, Jiří; Enev, Vojtěch; Hajdúchová, Miroslava

    2017-12-01

    In this work CoFe2O4 spinel ferrite nanoparticles were synthesized by honey mediated sol-gel combustion method and further annealed at higher temperature 500 °C, 700 °C, 900 °C and 1100 °C. The synthesized spinel ferrite nanoparticles is investigated by x-ray diffraction, Raman spectroscopy, Fourier transform infrared (FTIR) spectroscopy, thermogravimetric analysis/differential scanning calorimetry (TGA/DSC), field emission scanning electron microscopy, x-ray photoelectron spectroscopy and vibrating sample magnetometer. The x-ray diffraction study reveals face-centered cubic spinel cobalt ferrite crystal phase formation. The crystallite size and lattice parameter are increased with annealing temperature. Raman and Fourier transform infrared spectra also confirm spinel ferrite crystal structure of synthesized nanoparticles. The existence of cation at octahedral and tetrahedral site in cobalt ferrite nanoparticles is confirmed by x-ray photoelectron spectroscopy. Magnetic measurement shows increased saturation magnetization 74.4 emu g-1 at higher annealing temperature 1100 °C, high coercivity 1347.3 Oe at lower annealing temperature 500 °C, and high remanent magnetization 32.3 emu g-1 at 900 °C annealing temperature. The magnetic properties of synthesized ferrite nanoparticles can be tuned by adjusting sizes through annealing temperature. Furthermore, the dielectric constant and ac conductivity shows variation with frequency (1-107 Hz), grain size and cation redistribution. The modulus spectroscopy study reveals the role of bulk grain and grain boundary towards the resistance and capacitance. The cole-cole plots in modulus formalism also well support the electrical response of nanoparticles originated from both grain and grain boundaries. The dielectric, electrical, magnetic, impedance and modulus spectroscopic characteristics of synthesized CoFe2O4 spinel ferrite nanoparticles demonstrate the applicability of these nanoparticles for magnetic recording, memory

  18. Effects and mechanisms of grain refinement in aluminium alloys

    Indian Academy of Sciences (India)

    Unknown

    grain refine the solidified product. The mechanism of grain refinement is of considerable ... The present paper attempts to review the literature on the nucleant effects and solute effects on grain refinement and ... cast alloys. Firstly, reduced mechanical properties have been noted in plate products for structural application.

  19. Mn 3 O 4 nano-sized crystals: Rapid synthesis and extension to ...

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences; Volume 126; Issue 3. Mn3O4 nano-sized crystals: Rapid synthesis and extension to preparation of nanosized LiMn2O4 materials. Xiao-Ling Cui Yong-Li Li Shi-You Li Guo-Cun Sun Jin-Xia Ma Lu Zhang Tian-Ming Li Rong-Bo Ma. Regular Articles Volume 126 Issue 3 May ...

  20. Cationic amylose-encapsulated bovine hemoglobin as a nanosized oxygen carrier.

    Science.gov (United States)

    Gao, Wei; Sha, Baoyong; Zou, Wei; Liang, Xuan; Meng, Xiangzhong; Xu, Hao; Tang, Jun; Wu, Daocheng; Xu, Lixian; Zhang, Hui

    2011-12-01

    Nanosized hemoglobin-based oxygen carriers are one of the most promising blood substitutes. In the present study, a comprehensive strategy for the preparation of nanosized cationic amylose-encapsulated hemoglobins (NCAHbs) was developed. First, cationic amylase (CA) was synthesized from amylose and quaternary ammonium salt by an etherification reaction. The structure of CA was characterized using Fourier transform infrared spectrophotometry (FTIR) and proton nuclear magnetic resonance spectrophotometry ((1)H NMR). The degree of substitution and the zeta potential were also measured. Then, the NCAHbs were prepared by electrostatic adhesion, reverse micelles and cross-linking. The UV-visible spectrophotometer was used to measure the entrapment efficiency (EE%) and drug loading efficiency (DL%) of the NCAHbs. Transmission electron microscopy and Malvern Nano-zs 90 analyzer were used to observe the size distribution and morphology of particles. Chemical structure was determined from the FTIR spectrum. A Hemox analyzer was used to measure the P(50) and Hill coefficients. A lethal hemorrhagic shock model in rats was used to evaluate the therapeutic effect of the NCAHbs. The results showed that the combined methods improved the size, stability, EE%, DL%, and oxygen-carrying capacity of the NCAHbs. The average diameter of the NCAHbs was 92.53 ± 3.64 nm, with a narrow polydispersity index of 0.027. The EE% was 80.05% ± 1.56% and DL% was 61.55% ± 1.41%. The P(50) and Hill coefficient were equal to 28.96 ± 1.33 mmHg and 2.55 ± 0.22, respectively. The size of NCAHbs remained below 200 nm for six days in PBS solution. The NCAHbs could effectively prevent lung injury from progressing to lethal hemorrhagic shock because they acted as both a volume expander and an oxygen carrier. Copyright © 2011 Elsevier Ltd. All rights reserved.

  1. Investigation of the conversion mechanism of nanosized CoF2

    International Nuclear Information System (INIS)

    Teng, Yin Ting; Pramana, Stevin S.; Ding, Junfeng; Wu, Tom; Yazami, Rachid

    2013-01-01

    Highlights: • First report on synthesis of nanosized cobalt fluoride via precipitation. • CoF x formation during recharging commences at the interface between cobalt and lithium fluoride. • Valance change of cobalt in cobalt fluoride electrode upon discharging and recharging is shown from EELS and XPS. • Lithiation of CoF 2 leads to formation of superparamagnetic nanosized cobalt particles. • Morphology of the conductive carbon addictives used plays a crucial factor in determining the capacity retention ability. -- Abstract: Nanoparticles (∼20 nm) of tetragonal (P42/mnm) cobalt fluoride (CoF 2 ) has been synthesized by precipitation using cobalt nitrate and ammonium fluoride solution at room temperature, followed by annealing at 400 °C under argon atmosphere. The morphology and structure have been studied by X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), and transmission electron microscopy (TEM). The electrochemical lithiation of CoF 2 and its structural and valence changes during conversion have been investigated. Electrochemical measurements revealed a discharge specific capacity close to theoretical specific capacity of 553 mAh g −1 and charge specific capacities ranging from 250 to 450 mAh g −1 in the first cycle, depending on the type of conductive carbon addictive used. Lithiation of CoF 2 occurs without any intercalation, but via conversion reaction CoF 2 + 2Li + + 2e − → Co(0) + 2LiF. During lithiation, CoF 2 is fully reduced to Co(0) and breaks down into smaller particles of ∼2 nm. Upon recharging, CoF x is formed instead of CoF 2 . XPS and EELS studies show that only the surface of the electrode is reconverted back to CoF x during recharging. In addition, recharging to form CoF x commences at the interface between the cobalt and lithium fluoride. These results offer the experimental evidence explaining the lack of cycle stability of metal fluorides that undergo a conversion reaction with lithium such

  2. Influence of Lithium on Nanosized Films of Fe2O3

    Directory of Open Access Journals (Sweden)

    A. Turković

    2011-01-01

    Full Text Available We have investigated nanosized thin films of α-Fe2O3 (hematite and α-Fe2O3 with addition of Li, by the impedance spectroscopy (IS, the Raman spectroscopy, scanning electron microscopy (SEM, and X-ray diffraction (XRD. Combining all of these methods, and earlier obtained thermally stimulated currents (TSC on the same samples, the dependence of structural and electrical properties upon percentage of Li added into the matrix of these metal-oxide films was found. The comparison of IS, Raman, SEM, XRD, and TSC results reveals the increase of the size of nanoparticles upon inducing 1% of Li in Fe2O3 matrix followed by the decrease of the size of nanoparticles in the case of samples with 10% Li, as well as the decrease (increase of conductivity, respectively. These changes are explained by the structural and morphological changes caused by the impact of Li+ ions in the charge transfers. This material is suitable for application in the galvanic cell of second generation that could be used as solar-cells backup.

  3. Preparation of soft-agglomerated nano-sized ceramic powders by sol-gel combustion process

    International Nuclear Information System (INIS)

    Feng, Q.; Ma, X.H.; Yan, Q.Z.; Ge, C.C.

    2009-01-01

    The soft-agglomerated Gd 2 BaCuO 5 (Gd211) nano-powders were synthesized by sol-gel combustion process with binary ligand and the special pretreatment on gel. The mechanism of the formation of weakly agglomerated structure was studied in detail. The results showed that network structure in gelation process was found to be a decisive factor for preventing agglomeration of colloidal particles. The removal of free water, coordinated water, and most of hydroxyl groups during pretreatment further inhibited the formation of hydrogen bonds between adjacent particles. The soft-agglomeration of the particles was confirmed by isolated particles in calcined Gd211 powders and in green compact, a narrow monomodal pore size distribution of the green compact and the low agglomeration coefficient of the calcined Gd211 powder. Extension this process to synthesis of BaCeO 3 , BaTiO 3 and Ce 0.8 Sm 0.2 O 1.9 powders, also led to weakly agglomerated nano-powders. It suggests that this method represents a powerful and facile method for the creation of doped and multi-component nano-sized ceramic powders.

  4. Synthesis of nano-sized ZnO particles by co-precipitation method with variation of heating time

    Science.gov (United States)

    Purwaningsih, S. Y.; Pratapa, S.; Triwikantoro, Darminto

    2016-02-01

    Zinc oxide powders have been synthesized by a co-precipitation method at low temperature (85 °C), using zinc acetate dihydrate, ammonia, hydrochloric acid solutions as the reactants. A number of process parameters such as reaction temperature, solution basicity or pH and heating time are the main factors affecting the morphology and physical properties of the ZnO nanostructures. In this work the effect of heating time on the morphology and particles size were studied. The as-synthesized ZnO powders were characterized using transmission electron microscopy (TEM) and X-ray diffraction (XRD) techniques. The samples were also analyzed using Fourier transform infrared (FTIR). Rietveld refinement of XRD data confirms that ZnO crystallizes in the hexagonal wurtzite structure with high degree of purity and the (101) plane predominant. The XRD results show that the average crystallite sizes were about 66, 27 and 12 nm for 3, 4 and 5 h of heating times, respectively. The XRD analysis indicated that a fraction of nano-sized ZnO powders were in the form of aggregates, which was also verified by TEM image. The TEM photograph demonstrated that the nano-sized ZnO particles were a pseudo-spherical shape.

  5. Highly Water-Stable Novel Lanthanide Wheel Cluster Organic Frameworks Featuring Coexistence of Hydrophilic Cagelike Chambers and Hydrophobic Nanosized Channels.

    Science.gov (United States)

    Zhou, Yuan-Yuan; Shi, Yang; Geng, Bing; Bo, Qi-Bing

    2017-02-15

    In attempts to investigate the potential luminescent sensing materials for sensitive detection of environmental pollutants, a new family of lanthanide wheel cluster organic frameworks (Ln-WCOFs) UJN-Ln4 has been constructed by employing one of the cycloalkane dicarboxylic acid derivatives. Adopting different conformations, the ligand links Ln 4 second building units (SBUs) and Ln 24 tertiary building units (TBUs) to form a unique wheel cluster layer-pillared 3D framework featuring the coexistence of hydrophobic nanosized channels and trigonal antiprism arrays with hydrophilic cagelike chambers. Apart from charming structures, isostructural UJN-Ln4 displays interesting porous, water-stable features. Systematic luminescence studies demonstrate that solvent water molecules can enhance the emission intensity of solid-state UJN-Eu4. Acting as a recyclable luminescent probe, water-stable luminescent UJN-Eu4 exhibits superior "turn-off" detection for Fe 3+ and Cu 2+ ions in aqueous solutions. Due to the nanosized hydrophobic channels, UJN-Eu4 also shows highly sensitive sensing of sodium dodecyl benzenesulfonate (SDBS) via luminescence "turn-on" respondence, representing the first example of quantitatively detecting SDBS in aqueous solutions by employing luminescent lanthanide frameworks as fluorescent sensors. The results also open up the exploration of novel luminescent Ln-WCOFs exhibiting unique applications in sensitive detecting of harmful pollutants in aquatic environments.

  6. Grain Boundary Engineering of Electrodeposited Thin Films

    DEFF Research Database (Denmark)

    Alimadadi, Hossein

    Grain boundary engineering aims for a deliberate manipulation of the grain boundary characteristics to improve the properties of polycrystalline materials. Despite the emergence of some successful industrial applications, the mechanism(s) by which the boundary specific properties can be improved...... to engineer new materials. In this study, one of the most widely used electrolytes for electrodeposition is chosen for the synthesis of nickel films and based on thorough characterization of the boundaries the potentials in grain boundary engineering are outlined. The internal structure of the nickel films...... of the favorable boundaries that break the network of general grain boundaries. Successful dedicated synthesis of a textured nickel film fulfilling the requirements of grain boundary engineered materials, suggests improved boundary specific properties. However, the textured nickel film shows fairly low...

  7. Presolar Grains in Indarch

    Science.gov (United States)

    Gao, X.; Nittler, L. R.; Swan, P. D.; Walker, R. M.

    1995-09-01

    We report results for the EH(4) Indarch. Earlier work [1] found 20 micrometers clumps of sub-micron SiC whose presolar nature was inferred from step-wise combustion, noble gas [2], and ion probe isotopic measurements. Our results indicate that the clumps were an artifact of sample preparation. Our sample was first cleaned using 6N HCl, and water and isopropanol rinses, then powdered and reacted with HCl-HF/HCl, KOH, and H3BO3-HCl/HCl giving a C-rich residue 1.14 wt.% of the original. X-ray mapping showed SiC grains and 5x as many Si3N4 grains, but no fine-grained clumps. Large (6 micrometers to 20 micrometers) C-rich spheroids were also present. The sample was further treated with KOH/HNO3 and NH3H2O; attempts to do density-separates were unsuccessful. An aliquot was treated with perchloric acid and separated into 1 micrometer fractions. SEM-EDS measurements of 73 (1 micrometer) grains with the addition of 2 spinel and one Al2O3 grains. The whole rock concentration of SiC was 5.8 ppm, higher than previous determinations [1,3,9]. Confirming earlier suggestions [1,2], we find that SiC in Indarch is much finer-grained than in Murchison; about 2/3 of the mass is in grains size-sorting in the nebula or selective destruction of fine-grained material. Ion probe measurements of 22 (1-3 micrometers) grains gave isotopic results in the range previously measured for Murchison SiCs [4]. Several normal Si3N4 grains (>1 micron) were measured; probably exsolution products similar to those in Qingzhen [7]. Ion mapping was used to search for presolar oxide grains using previously developed techniques [5]. Seven candidate grains out of ~1000 were found. Multiple imaging confirmed an ^(16)O/^(18)O anomaly in one spinel grain - the first presolar oxide found in an E chondrite. Although the proportion of oxide grains relative to SiC is smaller, the fraction of anomalous oxide grains is not strikingly different in Indarch than in Murchison (1/1000) or Tieschitz (1/300). Prior ion probe

  8. Grains and Starchy Vegetables

    Science.gov (United States)

    ... Every time you choose to eat a starchy food, make it count! Leave the processed white flour-based products, especially the ones with added ... wheat grain is ground up. "Refined" flours like white and enriched wheat flour include only ... whole grain foods can be a challenge. Some foods only contain ...

  9. Grain refinement of zinc-aluminium alloys

    International Nuclear Information System (INIS)

    Zaid, A.I.O.

    2006-01-01

    It is now well-established that the structure of the zinc-aluminum die casting alloys can be modified by the binary Al-Ti or the ternary Al-Ti-B master alloys. in this paper, grain refinement of zinc-aluminum alloys by rare earth materials is reviewed and discussed. The importance of grain refining of these alloys and parameters affecting it are presented and discussed. These include parameters related to the Zn-Al alloys cast, parameters related to the grain refining elements or alloys and parameters related to the process. The effect of addition of other alloying elements e.g. Zr either alone or in the presence of the main grain refiners Ti or Ti + B on the grain refining efficiency is also reviewed and discussed. Furthermore, based on the grain refinement and the parameters affecting it, a criterion for selection of the optimum grain refiner is suggested. Finally, the recent research work on the effect of grain refiners on the mechanical behaviour, impact strength, wear resistance, and fatigue life of these alloys are presented and discussed. (author)

  10. Nanosized Building Blocks for Customizing Novel Antibiofilm Approaches.

    Science.gov (United States)

    Paula, A J; Koo, H

    2017-02-01

    Recent advances in nanotechnology provide unparalleled flexibility to control the composition, size, shape, surface chemistry, and functionality of materials. Currently available engineering approaches allow precise synthesis of nanocompounds (e.g., nanoparticles, nanostructures, nanocrystals) with both top-down and bottom-up design principles at the submicron level. In this context, these "nanoelements" (NEs) or "nanosized building blocks" can 1) generate new nanocomposites with antibiofilm properties or 2) be used to coat existing surfaces (e.g., teeth) and exogenously introduced surfaces (e.g., restorative or implant materials) for prevention of bacterial adhesion and biofilm formation. Furthermore, functionalized NEs 3) can be conceived as nanoparticles to carry and selectively release antimicrobial agents after attachment or within oral biofilms, resulting in their disruption. The latter mechanism includes "smart release" of agents when triggered by pathogenic microenvironments (e.g., acidic pH or low oxygen levels) for localized and controlled drug delivery to simultaneously kill bacteria and dismantle the biofilm matrix. Here we discuss inorganic, metallic, polymeric, and carbon-based NEs for their outstanding chemical flexibility, stability, and antibiofilm properties manifested when converted into bioactive materials, assembled on-site or delivered at biofilm-surface interfaces. Details are provided on the emerging concept of the rational design of NEs and recent technological breakthroughs for the development of a new generation of nanocoatings or functional nanoparticles for biofilm control in the oral cavity.

  11. Synthesis and Characterization of Nanosized Fe2O3 Pigments

    Directory of Open Access Journals (Sweden)

    M. F. R. Fouda

    2012-01-01

    Full Text Available The work in this paper was devoted to investigating some nanosized iron oxide pigments prepared by microemulsion technique. The role of concentration of iron salt and surfactant (cetyltrimethylammonium bromide on the produced iron oxide was studied. The techniques employed to characterize the samples were thermogravimetric analysis, X-ray diffractometry, transmission electron microscope, infrared spectroscopy, and diffuse reflectance spectroscopy. The results revealed that the particle size of the prepared sample using 0.2 M iron sulfate and 3.2 wt% of surfactant was in the range 7–9 nm. Increasing the concentration of either iron salt or the surfactant increased the particle size of the obtained ferric oxide. The diffuse reflectance measurements showed that the charge transfer/electron pair transition absorption peak, which is closely related to the reddish color of the oxide, was shifted to a longer wavelength (blue shift by decreasing the dimension of the particles. The samples were tested as pigments. They showed different tints of red color and were found to be promising for applications as pigments in the field of paint manufacturing.

  12. Superfocusing the light through the nanosize slit via photonic tornado

    Science.gov (United States)

    Choi, Seong Soo; Jha, Vinaya; Suwal, Om; Park, Myoung Jin; Park, Nam Kyu; Kim, Daisik

    2010-03-01

    The macro size pyramidal horn probe such as klystron horn antenna has been used to provide the excellent focusing capabilities in microwave region. In the similar way, the pyramidal probe with the micron size mirror (pyramidal horn probe) has been fabricated with a nano-size aperture with diameter ranging from ˜1 nm to ˜30 nm. Light transmission through the micro-fabricated pyramidal horn probe has been measured to enhance the light transmission due to resonant effects between the cavity mode and the slit modes in the probe, along with improved directionality of the transmitted beam. The resonant tunneling between two standing waves in the input groove and in the output groove can provide the transmission enhancements. With decreasing slit width, the transmission is found to increasing tremendously.[1] The transmission is measured to be inversely proportional to the area.[2,3] References:[1] R. Gordon, Phys. Rev. B 73, 153405 (2006).[2] R. Harrington, IEEE Trans. Antennas Propagat. Ap-30, 205(1982).[3] Y Leviatan, R. Harrington, J. Maut, IEEE Trans. Antennas Propagat. Ap-30, 1533(1982)

  13. Tribological properties of nanosized calcium carbonate filled polyamide 66 nanocomposites

    Energy Technology Data Exchange (ETDEWEB)

    Itagaki, Kaito [Department of Mechanical Engineering, Graduate School of Engineering, Kogakuin University, 2665-1 Nakano, Hachioji, Tokyo 192-0015 Japan (Japan); Nishitani, Yosuke [Department of Mechanical Engineering, Faculty of Engineering, Kogakuin University, 2665-1 Nakano, Hachioji, Tokyo, 192-0015 Japan (Japan); Kitano, Takeshi [Polymer Centre, Faculty of Technology, Tomas Bata University in Zlin, T.G.M. 275, Zlin, 767 72 Czech Republic (Czech Republic); Eguchi, Kenichiro [Shiraishi Central Laboratories, 4-78 Motohama,Amagasaki,Hyogo,660-0085 Japan (Japan)

    2016-03-09

    For the purpose of developing high performance tribomaterials for mechanical sliding parts such as gears, bearings and so on, nanosized calcium carbonate (nano-CaCO{sub 3}) filled polyamide 66 (PA66) nanocomposites were investigated. The nano-CaCO{sub 3} was a kind of precipitated (colloid typed) CaCO{sub 3}, and its average particle size was 40, 80 and 150 nm. Surface treatment was performed by fatty acid on the nano-CaCO{sub 3} and its volume fraction in the nanocomposite was varied from 1 to 20vol.%. These nanocomposites were melt-mixed by a twin screw extruder and injection-molded. Tribological properties were measured by two types of sliding wear testers such as ring-on-plate type and ball-on-plate type one under dry condition. The counterface, worn surface and wear debris were observed by digital microscope and scanning electron microscope. It was found that the nano-CaCO{sub 3} has a good effect on the tribological properties, although the effect on the frictional coefficient and specific wear rate is differed by the volume fraction and the type of sliding wear modes. This is attributed to the change of wear mechanisms, which is the change of form of the transfer films on the counterface and the size of wear debris. It follows from these results that PA66/nano-CaCO{sub 3} nanocomposites may be possible to be the high performance tribomaterials.

  14. Nano-Se Assimilation and Action in Poultry and Other Monogastric Animals: Is Gut Microbiota an Answer?

    Science.gov (United States)

    Surai, Peter F.; Kochish, Ivan I.; Velichko, Oksana A.

    2017-12-01

    Recently, a comprehensive review paper devoted to roles of nano-Se in livestock and fish nutrition has been published in the Nanoscale Research Letters. The authors described in great details an issue related to nano-Se production and its possible applications in animal industry and medicine. However, molecular mechanisms of nano-Se action were not described and the question of how nano-Se is converted into active selenoproteins is not resolved. It seems likely that the gut microbiota can convert nano-Se into selenite, H2Se or Se-phosphate with the following synthesis of selenoproteins. This possibility needs to be further studied in detail, and advantages and disadvantages of nano-Se as a source of Se in animal/poultry/fish nutrition await critical evaluations.

  15. Siderophores, the answer for micro to nanosized asbestos fibre related health hazard

    Science.gov (United States)

    Bhattacharya, Shabori; Ledwani, Lalita; John, P. J.

    2016-04-01

    Recent studies on the potential toxicity of High Aspect Ratio Nanoparticles (HARN) has yet once again reinforced the health hazard imposed by asbestos fibres ranging from nano to micro size. Asbestos a naturally occurring fibrous mineral declared a Group I definite carcinogen by IARC (International Agency for Research on Cancer), a unit of WHO in the year 1987, has been extensively used since World War II to the near past for various commercial products. According to the most recent World Health Organization (WHO) estimates, asbestos-related diseases, resulting from exposure at workplace claims more than 107000 lives every year worldwide. The various types of toxic effects induced by asbestos in humans include - i) inflammation and fibrogenesis of lung, ii) mesothelioma iii) asbestosis and iv) bronchogenic carcinoma. The stability of asbestos in natural environment and its biological aggressiveness is related to their fibrous structure and dimensions. The actual risk associated with the exposure to nanosized asbestos, which is still unknown and escapes most regulations worldwide, has been shown in various toxicity assessment studies conducted on various animal models.In an effort to reduce the size of asbestos and therby its toxicity by limiting its biopersistence, oxalic acid treatment of asbestos coupled to power ultrasound treatment was carried out. The nanosized particles formed were still found to retain their hazardous effect. Similar were the results obtained on strong acid treatment of asbestos as well. A probable solution to the asbestos toxicity problem therefore envisaged was bioremediation. This involved the secretion of iron chelating molecules termed siderophores by microbes, which are of significance due to their ability to form very stable and soluble complexes with iron. Iron in asbestos composition is a major factor responsible for its carcinogenicity, removal or extraction of which would prove to be an effective answer to the worldwide problem

  16. Thermal stability and structural changes during heat treatment of nanostructured Al2024 alloy

    Energy Technology Data Exchange (ETDEWEB)

    Jafari, M. [Department of Materials Engineering, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of); Enayati, M.H. [Department of Materials Engineering, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of)], E-mail: ena78@cc.iut.ac.ir; Abbasi, M.H.; Karimzadeh, F. [Department of Materials Engineering, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of)

    2009-06-10

    Thermal stability and structural changes during isothermal heat treatment of nanostructured Al2024 alloy prepared by mechanical milling (MM) were investigated. Al2024 powders were subjected to high-energy milling for various times to produce nanostructured alloy. Nanostructured Al2024 alloy was subsequently annealed at 150-550 deg. C for 1-3 h under argon atmosphere. The as-milled and annealed powders were characterized by scanning electron microscopy (SEM) and X-ray diffraction (XRD). The results showed that after 30 h of milling, an Al-Cu-Mg supersaturated solid solution with a grain size of 30 nm was obtained. This structure was then isothermally heat-treated at various temperatures for different times. The CuAl{sub 2} and CuMgAl{sub 2} precipitates formed after heat treatment at T < 350 deg. C. In contrast to CuAl{sub 2} phase, CuMgAl{sub 2} precipitates disappeared on XRD traces taken after annealing at temperatures higher than 350 deg. C. Investigation of grain growth kinetics showed that nanostructured Al2024 had high thermal stability so that Al grain size remained in nanosized scale (about 70 nm) even after heating at 550 deg. C for 3 h. The value of grain growth exponent and activation energy at different annealing temperatures were obtained and discussed in terms of solute and second phase drag effects.

  17. Annealing Temperature Dependent Structural and Magnetic Properties of Ni-Cu-Zn Nanoferrites

    Science.gov (United States)

    Rao, P. Venkata Srinivasa; Anjaneyulu, T.; Reddy, M. Rami

    2018-03-01

    The effect of annealing temperature on the structural and the magnetic properties of Ni0.5Cu0.25Zn0.25Fe2O4 (Ni-Cu-Zn) nanoferrites synthesized using an oxalic-based precursor method was investigated in detail. A single phase of the Ni-Cu-Zn ferrite was observed from X-ray diffraction (XRD) data. From the XRD analysis, the grain size was found to increase with increasing annealing temperature from 500 to 800 °C whereas the lattice constant was found to decrease. The scanning electron microscope (SEM) analysis showed nanosize grains in the prepared samples. The magnetization analysis showed that the saturation magnetization ( M s ) increased with increasing annealing temperature due to the increasing grain size whereas the coercivity ( H c ) and the remanence magnetization ( M r ) showed decreasing behaviors. The Curie temperature ( T C ) was measured for all samples. As the grain size increased the Curie temperature was also observed to increase. For these samples, the Curie temperatures lies between 426 K to 504 K. The dielectric constant ( ɛ') was observed to be higher for these samples. The dielectric loss tangent increase slowly with increasing frequency till a particular frequency, after that it slowly decreased. Therefore the annealing temperature was observed to have a significant effect on the structural, magnetic and electrical properties of synthesized Ni-Cu-Zn ferrite.

  18. All About the Grains Group

    Science.gov (United States)

    ... Grains All about the Grains Group Print Share What foods are in the Grains Group? Any food made ... Whole Grains Food Gallery Take the Grains Quiz What Is MyPlate? Food Guide History MyPlate, MyWins Fruits All About the ...

  19. Size effects and charge transport in metals: Quantum theory of the resistivity of nanometric metallic structures arising from electron scattering by grain boundaries and by rough surfaces

    Science.gov (United States)

    Munoz, Raul C.; Arenas, Claudio

    2017-03-01

    We discuss recent progress regarding size effects and their incidence upon the coefficients describing charge transport (resistivity, magnetoresistance, and Hall effect) induced by electron scattering from disordered grain boundaries and from rough surfaces on metallic nanostructures; we review recent measurements of the magneto transport coefficients that elucidate the electron scattering mechanisms at work. We review as well theoretical developments regarding quantum transport theories that allow calculating the increase in resistivity induced by electron-rough surface scattering (in the absence of grain boundaries) from first principles—from the parameters that describe the surface roughness that can be measured with a Scanning Tunnelling Microscope (STM). We evaluate the predicting power of the quantum version of the Fuchs-Sondheimer theory and of the model proposed by Calecki, abandoning the method of parameter fitting used for decades, but comparing instead theoretical predictions with resistivity measured in thin films where surface roughness has also been measured with a STM, and where electron-grain boundary scattering can be neglected. We also review the theory of Mayadas and Shatzkes (MS) [Phys. Rev. B 1, 1382 (1970)] used for decades, and discuss its severe conceptual difficulties that arise out of the fact that: (i) MS employed plane waves to describe the electronic states within the metal sample having periodic grain boundaries, rather than the Bloch states known since the thirties to be the solutions of the Schrödinger equation describing electrons propagating through a Krönig-Penney [Proc. R. Soc. London Ser. A 130, 499 (1931)] periodic potential; (ii) MS ignored the fact that the wave functions describing electrons propagating through a 1-D disordered potential are expected to decay exponentially with increasing distance, a fact known since the work of Anderson [Phys. Rev. 109, 1492 (1958)] in 1958 for which he was awarded the Nobel Prize in

  20. Statistical Theory of Normal Grain Growth Revisited

    International Nuclear Information System (INIS)

    Gadomski, A.; Luczka, J.

    2002-01-01

    In this paper, we discuss three physically relevant problems concerning the normal grain growth process. These are: Infinite vs finite size of the system under study (a step towards more realistic modeling); conditions of fine-grained structure formation, with possible applications to thin films and biomembranes, and interesting relations to superplasticity of materials; approach to log-normality, an ubiquitous natural phenomenon, frequently reported in literature. It turns out that all three important points mentioned are possible to be included in a Mulheran-Harding type behavior of evolving grains-containing systems that we have studied previously. (author)

  1. Implementation of molecular dynamics and its extensions with the coarse-grained UNRES force field on massively parallel systems; towards millisecond-scale simulations of protein structure, dynamics, and thermodynamics.

    Science.gov (United States)

    Liwo, Adam; Ołdziej, Stanisław; Czaplewski, Cezary; Kleinerman, Dana S; Blood, Philip; Scheraga, Harold A

    2010-03-09

    We report the implementation of our united-residue UNRES force field for simulations of protein structure and dynamics with massively parallel architectures. In addition to coarse-grained parallelism already implemented in our previous work, in which each conformation was treated by a different task, we introduce a fine-grained level in which energy and gradient evaluation are split between several tasks. The Message Passing Interface (MPI) libraries have been utilized to construct the parallel code. The parallel performance of the code has been tested on a professional Beowulf cluster (Xeon Quad Core), a Cray XT3 supercomputer, and two IBM BlueGene/P supercomputers with canonical and replica-exchange molecular dynamics. With IBM BlueGene/P, about 50 % efficiency and 120-fold speed-up of the fine-grained part was achieved for a single trajectory of a 767-residue protein with use of 256 processors/trajectory. Because of averaging over the fast degrees of freedom, UNRES provides an effective 1000-fold speed-up compared to the experimental time scale and, therefore, enables us to effectively carry out millisecond-scale simulations of proteins with 500 and more amino-acid residues in days of wall-clock time.

  2. Photoluminescent nano-sized ternary and quaternary complexes of thorium(IV)

    International Nuclear Information System (INIS)

    Baranwal, B.P.; Jain, A.K.; Varma, A.; Singh, A.K.; Fatma, T.

    2011-01-01

    Some ternary and quaternary complexes of thorium(IV) with the general formula [Th(OOCCH 3 ) 2-n (SB) n (OOCC 15 H 31 ) 2 ] (HSB=Schiff bases and n=1 or 2) have been synthesized by the stepwise substitutions of acetate ions from thorium(IV) acetate, first with straight chain carboxylic acid and then with Schiff bases. The complexes are characterized by elemental analyses, spectral (electronic, infrared, 1 H NMR, FAB mass, photoluminescence and powder XRD) and TEM studies. Conductance measurements indicated non-conducting behaviour of the complexes. Structural parameters from powder XRD data for complexes 5 and 6 which indicate poorly crystalline nano-sized triclinic particles. Electronic absorption spectra of the complexes showed π → π * and n → π * charge transfer transitions. All complexes displayed fluorescence and a correlation was sought between luminescence spectra of complexes in solution at room temperature. On the basis of physico-chemical studies, coordination number 8 was assigned for thorium(IV) in the complexes. The morphology and microstructure of the complexes were examined with transmission electron microscopy (TEM) and the selected area electron diffraction (SAED). (orig.)

  3. Chances and limitations of nanosized titanium dioxide practical application in view of its physicochemical properties

    Science.gov (United States)

    Bogdan, Janusz; Jackowska-Tracz, Agnieszka; Zarzyńska, Joanna; Pławińska-Czarnak, Joanna

    2015-02-01

    Nanotechnology is a field of science that is nowadays developing in a dynamic way. It seems to offer almost endless opportunities of contribution to many areas of economy and human activity, in general. Thanks to nanotechnology, the so-called nanomaterials can be designed. They present structurally altered materials, with their physical, chemical and biological properties entirely differing from properties of the same materials manufactured in microtechnology. Nanotechnology creates a unique opportunity to modify the matter at the level of atoms and particles. Therefore, it has become possible to obtain items displaying new, useful properties, i.e. self-disinfecting and self-cleaning surfaces. Those surfaces are usually covered by a thin layer of a photocatalyst. The role of the photocatalyst is most of the time performed by the nanosized titanium dioxide (nano-TiO2). Excitation of nano-TiO2 by ultraviolet radiation initiates advanced oxidation processes and reactions leading to the creation of oxygen vacancies that bind water particles. As a result, photocatalytic surfaces are given new properties. Those properties can then be applied in a variety of disciplines, such as medicine, food hygiene, environmental protection or building industry. Practically, the applications include inactivation of microorganisms, degradation of toxins, removing pollutants from buildings and manufacturing of fog-free windows or mirrors.

  4. Mesoporous Silica Thin Membranes with Large Vertical Mesochannels for Nanosize-Based Separation.

    Science.gov (United States)

    Liu, Yupu; Shen, Dengke; Chen, Gang; Elzatahry, Ahmed A; Pal, Manas; Zhu, Hongwei; Wu, Longlong; Lin, Jianjian; Al-Dahyan, Daifallah; Li, Wei; Zhao, Dongyuan

    2017-09-01

    Membrane separation technologies are of great interest in industrial processes such as water purification, gas separation, and materials synthesis. However, commercial filtration membranes have broad pore size distributions, leading to poor size cutoff properties. In this work, mesoporous silica thin membranes with uniform and large vertical mesochannels are synthesized via a simple biphase stratification growth method, which possess an intact structure over centimeter size, ultrathin thickness (≤50 nm), high surface areas (up to 1420 m 2 g -1 ), and tunable pore sizes from ≈2.8 to 11.8 nm by adjusting the micelle parameters. The nanofilter devices based on the free-standing mesoporous silica thin membranes show excellent performances in separating differently sized gold nanoparticles (>91.8%) and proteins (>93.1%) due to the uniform pore channels. This work paves a promising way to develop new membranes with well-defined pore diameters for highly efficient nanosize-based separation at the macroscale. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Hydrophobic Nanosized All-Silica Beta Zeolite: Efficient Synthesis and Adsorption Application.

    Science.gov (United States)

    Zhu, Zhiguo; Xu, Hao; Jiang, Jingang; Wu, Haihong; Wu, Peng

    2017-08-16

    All-silica beta zeolite, synthesized by conventional hydroxide route, usually possesses small crystal size of a few hundred nanometers but poor hydrophobicity, whereas the fluoride-mediated one exhibits to be highly hydrophobic but microsized. To obtain nanosized all-silica beta zeolite with excellent hydrophobicity, an innovative and efficient hydrothermal route via interzeolite transformation for synthesizing all-silica beta zeolite is proposed in present study. With the assistance of beta seeds and tetraethylammonium hydroxide as the structure-directing agent, siliceous beta zeolite is well-crystallized at a high solid yield via dissolution-recrystallization of all-silica ITQ-1 crystals at an extremely low water content (H 2 O/SiO 2 molar ratio of 1). The obtained all-silica beta crystals are composed of 30-70 nm nanoparticles and highly hydrophobic just next to siliceous beta-F zeolite synthesized by environmentally unfriendly fluoride route, which is derived from relatively small amounts of internal defect sites. Thus, this beta zeolite is superior to other pure silica beta zeolites in the adsorption of large-sized volatile organic compounds (VOCs), which is mainly attributed to its high total pore volume and specific surface area as well as excellent hydrophobicity.

  6. Comparative Study of Magnetic Ordering and Electrical Transport in Bulk and Nano-Grained Nd{sub 0.67}Sr{sub 0.33}MnO{sub 3} Manganites

    Energy Technology Data Exchange (ETDEWEB)

    Arun, B. [Materials Science and Technology Division, CSIR-National Institute for Interdisciplinary Science and Technology, Trivandrum (India); Academy of Scientific and Innovative Research (AcSIR), CSIR, Trivandrum (India); Suneesh, M.V. [Materials Science and Technology Division, CSIR-National Institute for Interdisciplinary Science and Technology, Trivandrum (India); Vasundhara, M., E-mail: vasu.mutta@gmail.com [Materials Science and Technology Division, CSIR-National Institute for Interdisciplinary Science and Technology, Trivandrum (India)

    2016-11-15

    We have prepared bulk and nano-sized Nd{sub 0.67}Sr{sub 0.33}MnO{sub 3} manganites by solid state and low-temperature mild solgel methods respectively. Both the compounds crystallized into an orthorhombic structure with Pbnm space group confirmed from Rietveld refinement of X-ray powder diffraction patterns. Nano-grained compound shows an average particle size of 22 nm with broad grain size distribution revealed from the Transmission electron micrographs. It appeared that the long range ferromagnetic order becomes unstable upon the reduction of the samples dimension down to nano meter scale. DC magnetization and AC susceptibility results showed frustration of spins in nano-grained compound and thereby it could lead to a cluster glass-like behaviour. Temperature dependence of electrical resistivity under different magnetic fields shows the broad maxima at higher temperatures and a low temperature upturn in both the compounds, however, the latter is more prominent in the nano grained compound. Combination of Kondo effect with electron and phonon interactions govern the low temperature resistivity and a small polaron hopping mechanism dominates at high temperatures for both the compounds. The magnetoresistance is understood by the effect of spin polarized tunneling through the grain boundary. The experimental results revealed that the reduction in particle size influences severely on the magnetic, electrical and magneto transport properties. - Highlights: • Long range ferromagnetic ordered state become unstable in case of nano compound. • It shows broad magnetic transition and cluster glass nature. • Kondo effect with electron-phonon interactions dominate the resistivity at low temperature.

  7. Simulation, microstructure and microhardness of the nano-SiC coating formed on Al surface via laser shock processing

    International Nuclear Information System (INIS)

    Cui, C.Y.; Cui, X.G.; Zhao, Q.; Ren, X.D.; Zhou, J.Z.; Liu, Z.; Wang, Y.M.

    2014-01-01

    Highlights: • Nano-SiC coating is successfully fabricated on pure Al surface via LSPC. • Movement states of the nano-SiC particles are analyzed by FEM. • Formation mechanism of the nano-SiC coating is put forward and discussed. • Microhardness of the Al is significantly improved due to the nano-SiC coating. - Abstract: A novel method, laser shock processing coating (LSPC), has been developed to fabricate a particle-reinforced coating based on laser shock processing (LSP). In this study, a nano-SiC coating is successfully prepared on pure Al surface via LSPC. The surface and cross section morphologies as well as the compositions of nano-SiC coating are investigated. Moreover, a finite element method (FEM) is employed to clarify the formation process of nano-SiC coating. On the basis of the above analyzed results, a possible formation mechanism of the nano-SiC coating is tentatively put forward and discussed. Furthermore, the nano-SiC coating shows superior microhardness over the Al substrate

  8. Kansas Agents Study Grain Marketing

    Science.gov (United States)

    Schoeff, Robert W.

    1973-01-01

    Author is an extension specialist in feed and grain marketing for Kansas State University. He describes a tour set up to educate members of the Kansas Grain and Feed Dealers' Association in the area of grain marketing and exporting. (GB)

  9. Structure, microstructure and magnetic properties of Ni{sub 75}Fe{sub 25} films elaborated by evaporation from nanostructured powder

    Energy Technology Data Exchange (ETDEWEB)

    Kaibi, A., E-mail: kaibi_amel@yahoo.fr [Laboratory of Materials Physics (LPM), Faculty of Physics, USTHB, BP 32 El Alia, Algiers (Algeria); Guittoum, A. [Nuclear Research Centre of Algiers, 02 Bd Frantz Fanon, BP 399, Algiers (Algeria); Öksüzoğlu, R.M.; Yağci, A.M. [University of Anadolu, Faculty of Engineering, Department of Materials Sciences and Engineering, İkiEylül Campus, 26555 Eskişehir (Turkey); Boudissa, M. [ENMC Laboratory, Physics Department, University of Sétif, 19000 (Algeria); Kechouane, M. [Laboratory of Materials Physics (LPM), Faculty of Physics, USTHB, BP 32 El Alia, Algiers (Algeria)

    2015-09-30

    Highlights: • Ni{sub 75}Fe{sub 25} permalloy (Py) thin films with different thicknesses were deposited by vacuum evaporation from nanocrystalline powder onto Si(1 1 1) substrate. • The texture was found to change with increasing thickness. • The existence of nanosized grains with a uniform distribution has been observed. • The existence of a uniaxial magnetic anisotropy with an easy axis parallel to the film plane has been evidenced. • The coercive field was found to decrease with increasing thickness. - Abstract: We report on the structural, microstructural and magnetic properties of Ni{sub 75}Fe{sub 25} permalloy (Py) thin films. Py thin films with different thicknesses were deposited by vacuum evaporation from nanocrystalline powder onto Si (11) substrate. The thickness varies from 16 nm to 250 nm. From grazing X-ray diffraction patterns (GIXRD), we have shown the presence of a strong 〈200〉 texture for the lowest thickness (16 nm). For the 52 nm and 84 nm thick samples, a strong 〈111〉 preferred orientation is developed. However, for higher thicknesses, a polycrystalline structure is present. From the Scanning Electron Microscopy observations (SEM), we have shown that the surface seems to be very dense with many fine grains. The analysis of EDX spectra revealed that the sample composition is close to the starting Ni{sub 75}Fe{sub 25} powder. A more accurate investigation of the morphology was performed with the atomic force microscopy (AFM). We have shown the existence of nanosized grains with a uniform distribution. The mean diameter of the grains increases from 27 nm to 40 nm when the thickness increases. From magnetic measurements, we have shown the existence of a uniaxial magnetic anisotropy with an easy axis parallel to the film plane. The coercive field, H{sub C} was found to decrease with increasing thickness.

  10. Whole Grains and Fiber

    Science.gov (United States)

    ... of many nutrients: B vitamins (thiamin (Vitamin B1), riboflavin (Vitamin B2), niacin (Vitamin B3) and folate (Vitamin ... be the first ingredient listed. Choose whole grain foods that contain one of the following ingredients first ...

  11. Fine Grain Aluminum Superplasticity

    Science.gov (United States)

    1980-02-01

    Continua on ravaraa sida H nacaaaary and identify by block numbar) Superplastic aluminum, Superplasticity, Superplastic forming. High strength aluminum...size. The presence of precipitate particles also acts to impede grain boundary migration during recrystallization, further aiding in maintaining a

  12. Grain Boundary Complexions

    Science.gov (United States)

    2014-05-01

    complexion transitions occur often in doped titanates, such as BaTiO3 and SrTiO3, and have been utilized to tailor microstructural develop- ment [275,276...Cantwell et al. / Acta Materialia 62 (2014) 1–48 Despite decades of research, efforts to identify grain boundary complexion transitions in pure metals via...evidence suggesting grain boundary complexion transitions in pure metals has existed for decades. For example, researchers have reported anomalies and

  13. Diffusion mechanisms in grain boundaries in solids

    International Nuclear Information System (INIS)

    Peterson, N.L.

    1982-01-01

    A critical review is given of our current knowledge of grain-boundary diffusion in solids. A pipe mechanism of diffusion based on the well-established dislocation model seems most appropriate for small-angle boundaries. Open channels, which have atomic configurations somewhat like dislocation cores, probably play a major role in large-angle grain-boundary diffusion. Dissociated dislocations and stacking faults are not efficient paths for grain-boundary diffusion. The diffusion and computer modeling experiments are consistent with a vacancy mechanism of diffusion by a rather well-localized vacancy. The effective width of a boundary for grain-boundary diffusion is about two atomic planes. These general features of grain-boundary diffusion, deduced primarily from experiments on metals, are thought to be equally applicable for pure ceramic solids. The ionic character of many ceramic oxides may cause some differences in grain-boundary structure from that observed in metals, resulting in changes in grain-boundary diffusion behavior. 72 references, 5 figures

  14. Microstructural evolution by heating at 1673-2373 K in ultra-fine grained W-(0.25-1.5)%TiC consolidates

    International Nuclear Information System (INIS)

    Hidaka, M.; Sakamoto, T.; Kobayashi, S.; Nakai, K.; Kurishita, H.; Arakawa, H.

    2007-01-01

    Full text of publication follows: Ultra-fine grained (UFG) W-TiC consolidates with nearly full densification are expected to be very promising for their use as divertors and structural materials exposed to irradiation environments because they exhibit good resistance to irradiations with fast neutrons, helium-ions and hydrogen-ions. In view of exposure to high heat loading on divertors, it is necessary to examine microstructural evolution due to high temperature heating in UFG W-TiC consolidates, which is closely related to recrystallization embrittlement. The objective of this study is to clarify how the microstructures in UFG W-TiC consolidates change with annealing at 1673-2373 K, with emphasis on the effects of TiC additions and nano-sized Ar bubbles retained in UFG W-TiC consolidates fabricated by mechanical alloying (MA) in an Ar atmosphere. UFG W-(0.25, 0.5, 0.8, 1.1, 1.5)%TiC (in wt%) consolidates were fabricated by powder metallurgical methods utilizing MA with 3MPDA (three mutually perpendicular directions agitation) bail mill in an atmosphere of purified H 2 (MA-H 2 ) or Ar (MA-Ar), followed by hot isostatic pressing (HIP) at 1623 K. Thin foils for transmission electron microscopy (TEM) observations were prepared from each of the as-HIPed consolidates and subjected to annealing in vacuum at temperatures from 1673 to 2373 K for 3.6 ks by radio-frequency induction heating. TEM examinations and EDX analyses were made using a JEM-2000FX and JEM-4000FX operating at 200 and 400 kV, respectively. It is shown that the as-HIPed specimens exhibit equiaxed grain sizes of 40 to 200 nm which decrease with increasing TiC addition, but the grain size tends to saturate around 1 wt% TiC addition. The nano-sized Ar bubbles in W-TiC with MA-Ar are observed in approximately half of the grains and provide a significant grain refinement effect: The grain size in W-TiC with MA-Ar is approximately half of that with MA-H 2 . Such Ar bubbles are retained even after heating at

  15. Propagation of electro-kinetic waves in magnetized GaN semiconductor with nano-sized ion colloids

    International Nuclear Information System (INIS)

    Saxena, Ajay; Sharma, Giriraj; Jat, K. L.; Rishi, M. P.

    2015-01-01

    Based on hydrodynamic model of multi-component plasma, an analytical study on propagation of longitudinal electro-kinetic (LEK) waves in wurtzite and zincblende structures of GaN is carried out. Nano-sized ion colloids (NICs) are embedded in the sample by the technique of ion-implantation. The implanted NICs are considered massive by an order as compared to the host lattice points and do not participate in Based LEK perturbations. Though, the NICs are continuously bombarded by the electrons as well as the holes yet, the former acquires a net negative charge owing to relatively higher mobility of electrons and consequently results into depletion of electron density in the medium. It i s found that the presence of charged NICs significantly modifies the dispersion and amplification characteristics of LEK waves in magnetized GaN semiconductor plasma and their role becomes increasingly effective as the fraction of charge on them increases

  16. Comparison of nano-sized Mn oxides with the Mn cluster of photosystem II as catalysts for water oxidation.

    Science.gov (United States)

    Najafpour, Mohammad Mahdi; Ghobadi, Mohadeseh Zarei; Haghighi, Behzad; Tomo, Tatsuya; Shen, Jian-Ren; Allakhverdiev, Suleyman I

    2015-02-01

    "Back to Nature" is a promising way to solve the problems that we face today, such as air pollution and shortage of energy supply based on conventional fossil fuels. A Mn cluster inside photosystem II catalyzes light-induced water-splitting leading to the generation of protons, electrons and oxygen in photosynthetic organisms, and has been considered as a good model for the synthesis of new artificial water-oxidizing catalysts. Herein, we surveyed the structural and functional details of this cluster and its surrounding environment. Then, we review the mechanistic findings concerning the cluster and compare this biological catalyst with nano-sized Mn oxides, which are among the best artificial Mn-based water-oxidizing catalysts. Copyright © 2014 Elsevier B.V. All rights reserved.

  17. Detection of liquid petroleum gas using mixed nanosized tungsten oxide-based thick-film semiconductor sensor.

    Science.gov (United States)

    Chaudhari, G N; Bende, A M; Bodade, A B; Patil, S S; Manorama, S V

    2006-03-15

    The thick-film semiconductor sensor for liquid petroleum gas (LPG) detection was fabricated using a mixed WO(3)-based sensor. We present the characterization of both their structural properties by means of XRD measurements and the electrical characteristics by using gas-sensing properties. The sensing characteristics such as sensitivity, working range, cross-sensitivity and response time were studied by using nanosized WO(3)-based mixed with different metal oxides (SnO(2), TiO(2) and In(2)O(3)) and doped with noble metals (Au, Pd and Pt). The WO(3)-based mixed with 5 wt.% In(2)O(3) and 0.5 wt.% Pd showed the higher sensing characteristic at low concentration of LPG sensor at an operating temperature 225 degrees C.

  18. grain-filling, chlorophyll content in relation with grain yield

    African Journals Online (AJOL)

    Prof. Adipala Ekwamu

    number of fertile tillers nor number of grains per m². Grain weight is, however, reduced (Hochman,. 1982) due to a shortening of the grain filling period resulting from accelerated senescence. A long duration of grain filling is often an indicator of photosynthetic activity optimum, but a high velocity of filling is indicative of water.

  19. Effect of thermo-mechanical treatments on nano-structure of 9Cr-ODS steel

    Directory of Open Access Journals (Sweden)

    Hiroshi Oka

    2016-12-01

    Full Text Available The effect of thermo-mechanical treatments (TMTs on the evolution of nano-structure in an oxide dispersion strengthened (ODS ferritic/martensitic steel (Fe-9Cr-2W-0.22Ti-0.36Y2O3 was investigated. TMTs involve hot extruding and subsequent forging, which are expected to be part of a future industrial-scale manufacturing process of the ODS steel. It was shown that the ODS steel was composed of two phases — a fine-grained residual ferrite phase and a transformable martensite phase. The number density of the nano-sized particles in the residual ferrite phase was significantly higher than that in the martensite phase. The TMTs did not significantly affect the number density, but slightly affected the size distribution of the nano-sized particles in both ferrite phase and martensite phase. Moreover, the volume fraction of the residual ferrite phase decreased after TMTs. In summary, the TMT conditions could be a parameter which affects the nano-structure of the ODS steel.

  20. Characterisation and Treatment of Nano-sized Particles, Colloids and Associated Polycyclic Aromatic Hydrocarbons in Stormwater

    DEFF Research Database (Denmark)

    Nielsen, Katrine

    . The associated pollutants will, if not removed in stormwater treatment facilities, be discharged into receiving surface waters, due to enhanced transportation exerted by the colloids and nano-sized particles. More stormwater than previously is separated from wastewater and drained to stormwater treatment.......Since little is known about the colloids and nano-sized particle-enhanced transportation of pollutants in stormwater, it has been difficult to determine their quantitative role in the total release of pollutants into receiving waters.Therefore the main purpose of this thesis has been to document the presence...... and size distribution of colloids and nano-sized particles in stormwater, as well as quantify the particle-enhanced transportation of polycyclic aromatic hydrocarbons (PAHs) in stormwater. Stormwater from five sites in Europe was collected to characterise the particulate matter, colloids and nano...

  1. Defect distribution in deformed grains of Cu-based alloy polycrystals

    Science.gov (United States)

    Koneva, N. A.; Trishkina, L. I.; Cherkasova, T. V.

    2017-12-01

    The paper presents transmission electron microscopy data on the grain defect structure formed in deformed Cu-Al polycrystals. The data show that the parameters of dislocation substructures vary with distance from grain boundaries and that a hardened zone arises near the grain boundaries and its size depends on the grain size.

  2. Neuro-oncologic applications of exosomes, microvesicles, and other nano-sized extracellular particles.

    Science.gov (United States)

    Gonda, David D; Akers, Johnny C; Kim, Ryan; Kalkanis, Steven N; Hochberg, Fred H; Chen, Clark C; Carter, Bob S

    2013-04-01

    The discovery that tumor-derived proteins and nucleic acids can be detected in nano-sized vesicles in the plasma and cerebrospinal fluid of patients afflicted with brain tumors has expanded opportunities for biomarker and therapeutic discovery. Through delivery of their contents to surrounding cells, exosomes, microvesicles, and other nano-sized extracellular vesicles secreted by tumors modulate their environment to promote tumor growth and survival. In this review, we discuss the biological processes mediated by these extracellular vesicles and their applications in terms of brain tumor diagnosis, monitoring, and therapy. We review the normal physiology of these extracellular vesicles, their pertinence to tumor biology, and directions for research in this field.

  3. Nanosizing a Metal-Organic Framework Enzyme Carrier for Accelerating Nerve Agent Hydrolysis.

    Science.gov (United States)

    Li, Peng; Moon, Su-Young; Guelta, Mark A; Lin, Lu; Gómez-Gualdrón, Diego A; Snurr, Randall Q; Harvey, Steven P; Hupp, Joseph T; Farha, Omar K

    2016-10-05

    We report the synthesis and characterization of a water-stable zirconium metal-organic framework (MOF), NU-1003, featuring the largest mesoporous aperture known for a zirconium MOF. This material has been used to immobilize the nerve agent hydrolyzing enzyme, organophosphorus acid anhydrolase (OPAA). The catalytic efficiency of immobilized OPAA in nanosized NU-1003 is significantly increased compared to that of OPAA immobilized in microsized NU-1003 and even exceeds that of the free OPAA enzyme. This paper highlights a method for rapid and highly efficient hydrolysis of nerve agents using nanosized enzyme carriers.

  4. Chemoselective Oxidation of Bio-Glycerol with Nano-Sized Metal Catalysts

    DEFF Research Database (Denmark)

    Li, Hu; Kotni, Ramakrishna; Zhang, Qiuyun

    2015-01-01

    to selectively oxidize glycerol and yield products with good selectivity is the use of nano-sized metal particles as heterogeneous catalysts. In this short review, recent developments in chemoselective oxidation of glycerol to specific products over nano-sized metal catalysts are described. Attention is drawn...... to various reaction parameters such as the type of the support, the size of the metal particles, and the acid/base properties of the reaction medium which were illustrated to largely influence the activity of the nanocatalyst and selectivity to the target product. - See more at: http...

  5. Electrochemical Li-uptake properties of nanosized NiSb2 prepared by solvothermal route

    International Nuclear Information System (INIS)

    Xie, J.; Zhao, X.B.; Cao, G.S.; Zhao, M.J.; Su, S.F.

    2005-01-01

    The nanosized intermetallic compound NiSb 2 was prepared by a solvothermal route and studied as a potential anode material for secondary lithium-ion batteries. The microstructure of the as-prepared NiSb 2 powder was characterized by X-ray diffraction, transmission electron microscopy. The electrochemical performances of the NiSb 2 electrode were investigated by galvanostatic charge and discharge cycling and by cyclic voltammogram. It was found that the nanosized NiSb 2 electrode shows improved cycling behavior, especially in the initial cycles, compared to the micrometer sized NiSb 2 prepared by a levitation-melting/ball-milling route

  6. Niobium-base grain refiner for aluminium

    International Nuclear Information System (INIS)

    Silva Pontes, P. da; Robert, M.H.; Cupini, N.L.

    1980-01-01

    A new chemical grain refiner for aluminium has been developed, using inoculation of a niobium-base compound. When a bath of molten aluminium is inoculated whith this refiner, an intermetallic aluminium-niobium compound is formed which acts as a powerful nucleant, producing extremely fine structure comparable to those obtained by means of the traditional grain refiner based on titanium and boron. It was found that the refinement of the structure depends upon the weight percentage of the new refiner inoculated as well as the time of holding the bath after inoculation and before pouring, but mainly on the inoculating temperature. (Author) [pt

  7. Radiation disinfestation of grain

    International Nuclear Information System (INIS)

    1962-01-01

    A panel was convened by the International Atomic Energy Agency to consider ways of applying radiation to grain handling and insect control, and to make recommendations on the advisability and nature of any future action in this field. Among other subjects, the panel discussed the use of electron accelerators and gamma radiation for grain disinfestation as well as problems of radiation entomology and wholesomeness of irradiated grain. After reviewing the present state of knowledge regarding radiation disinfestation of grain, the experts agreed that pilot plant operations be initiated as soon as practicable in order to evaluate the use of irradiation plants under practical conditions in their entomological, engineering and economic aspects. They recommended that research effort be directed towards solving certain fundamental problems related to the proposed pilot plant projects; such as rapid methods for differentiation between sterile insects and normal ones; study of the metabolism of irradiated immature stages of insects in relation to the heating of treated grain; research into possible induction of radiation resistance; irradiation susceptibility of insects which show resistance to conventional insecticides; and study of methods of sensitizing insects to irradiation damage. It was also pointed out that the distribution of irradiated food for human consumption was controlled in most countries under present legislative procedures, and no country had yet approved radiation treatment of cereals. The experts recommended that countries in a position to submit evidence to their appropriate authorities regarding the wholesomeness of irradiated cereals should be encouraged to do so as soon as possible. Regarding the engineering aspects of irradiation pilot plant projects, the experts noted that the process could be automated and operated safely. Electron accelerators and cobalt sources could be used for all the throughput rates utilized in most conventional grain

  8. Conductive Nature of Grain Boundaries in Nanocrystalline Stabilized Bi2O3Thin-Film Electrolyte.

    Science.gov (United States)

    Jeong, Seung Jin; Kwak, No Woo; Byeon, Pilgyu; Chung, Sung-Yoon; Jung, WooChul

    2018-02-21

    Stabilized Bi 2 O 3 has gained a considerable amount of attention as a solid electrolyte material for low-temperature solid oxide fuel cells due to its superior oxygen-ion conductivity at the temperature of relevance (≤500 °C). Despite many research efforts to measure the transport properties of stabilized Bi 2 O 3 , the effects of grain boundaries on the electrical conductivity have rarely been reported and their results are even controversial. Here, we attempt quantitatively to assess the grain boundary contribution out of the total ionic conductivity at elevated temperatures (350-500 °C) by fabricating epitaxial and nano-polycrystalline thin films of yttrium-stabilized Bi 2 O 3 . Surprisingly, both epitaxial and polycrystalline films show nearly identical levels of ionic conductivity, as measured by alternating current impedance spectroscopy and this is the case despite the fact that the polyfilm possesses nanosized columnar grains and thus an extremely high density of the grain boundaries. The highly conductive nature of grain boundaries in stabilized Bi 2 O 3 is discussed in terms of the clean and chemically uniform grain boundary without segregates, and the implications for device application are suggested.

  9. Austenite grain growth and microstructure control in simulated heat affected zones of microalloyed HSLA steel

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Lei [Department of Machine Tools and Factory Management, Technical University of Berlin, Pascalstraße 8 – 9, 10587, Berlin (Germany); Federal Institute for Materials Research and Testing, Unter den Eichen 87, 12205, Berlin (Germany); Kannengiesser, Thomas [Federal Institute for Materials Research and Testing, Unter den Eichen 87, 12205, Berlin (Germany); Institute of Materials and Joining Technology, Otto von Guericke University Magdeburg, Universitetsplatz 2, 39106, Magdeburg (Germany)

    2014-09-08

    The roles of microalloying niobium, titanium and vanadium for controlling austenite grain growth, microstructure evolution and hardness were investigated at different simulated heat affected zones (HAZ) for high strength low alloy (HSLA) S690QL steel. High resolution FEG-SEM has been used to characterize fine bainitic ferrite, martensite and nanosized second phases at simulated coarse and fine grain HAZs. It was found that for Ti bearing steel (Ti/N ratio is 2) austenite grain had the slowest growth rate due to the presence of most stable TiN. The fine cuboidal particles promoted intragranular acicular ferrite (IGF) formation. Nb bearing steel exhibited relatively weaker grain growth retardation compared with titanium bearing steels and a mixed microstructure of bainite and martensite was present for all simulated HAZs. IGF existed at coarse grain HAZ of Ti+V bearing steel but it was totally replaced by bainite at fine grain HAZs. Hardness result was closely related to the morphology of bainitic ferrite, intragranular ferrite and second phases within ferrite. The microstructure and hardness results of different simulated HAZs were in good agreement with welded experimental results.

  10. Coordination polymer-derived nano-sized zinc ferrite with excellent performance in nitro-explosive detection.

    Science.gov (United States)

    Singha, Debal Kanti; Mahata, Partha

    2017-08-29

    Herein, a mixed metal coordination polymer, {(H 2 pip)[Zn 1/3 Fe 2/3 (pydc-2,5) 2 (H 2 O)]·2H 2 O} 1 {where H 2 pip = piperazinediium and pydc-2,5 = pyridine-2,5-dicarboxylate}, was successfully synthesized using a hydrothermal technique. To confirm the structure and phase purity of 1, single crystals of an isomorphous pure Fe compound, {(H 2 pip)[Fe(pydc-2,5) 2 (H 2 O)]·2H 2 O} 1a, were synthesized based on similar synthetic conditions. Single crystal X-ray data of 1a confirmed the one-dimensional anionic metal-organic coordination polymer hydrogen bonded with protonated piprazine (piperazinediium) and lattice water molecules. The phase purity of 1 and 1a were confirmed via powder X-ray diffraction. Compound 1 was systematically characterized using IR, TGA, SEM, and EDX elemental mapping analysis. Compound 1 was used as a single source precursor for the preparation of nano-sized ZnFe 2 O 4 via thermal decomposition. The as-obtained ZnFe 2 O 4 was fully characterized using PXRD, SEM, TEM, and EDX elemental mapping analysis. It was found that ZnFe 2 O 4 was formed in its pure form with particle size in the nano-dimension. The aqueous dispersion of nano-sized ZnFe 2 O 4 exhibits a strong emission at 402 nm upon excitation at 310 nm. This emissive property was employed for luminescence-based detection of nitroaromatic explosives in an aqueous medium through luminescence quenching for the first time. Importantly, selective detections have been observed for phenolic nitroaromatics based on differential luminescence quenching behaviour along with a detection limit of 57 ppb for 2,4,6-trinitrophenol (TNP) in water.

  11. Computerized pattern recognition used for grain counting in high resolution autoradiographs with low grain densities.

    Science.gov (United States)

    Schellart, N A; Zweijpfenning, R C; van Marle, J; Huijsmans, D P

    1986-10-01

    Using a video-image system coupled to a minicomputer with commercial image handling software, autoradiographic grains displayed in dark-field are counted with a fast (ca. 3.5 min for 120,000 microns 2) and reliable (false scores less than 5%) grain-recognizing FORTRAN program executed in the users memory. The grain counts are printed in a raster of adjustable size overlying a bright-field image, so that the counts can be related directly to the underlying histological structures.

  12. Influence of grain size in the near-micrometre regime on the deformation microstructure in aluminium

    International Nuclear Information System (INIS)

    Le, G.M.; Godfrey, A.; Hansen, N.; Liu, W.; Winther, G.; Huang, X.

    2013-01-01

    The effect of grain size on deformation microstructure formation in the near-micrometre grain size regime has been studied using samples of aluminium prepared using a spark plasma sintering technique. Samples in a fully recrystallized grain condition with average grain sizes ranging from 5.2 to 0.8 μm have been prepared using this technique. Examination in the transmission electron microscope of these samples after compression at room temperature to approximately 20% reduction reveals that grains larger than 7 μm are subdivided by cell block boundaries similar to those observed in coarse-grained samples, with a similar dependency on the crystallographic orientation of the grains. With decreasing grain size down to approx. 1 μm there is a gradual transition from cell block structures to cell structures. At even smaller grain sizes of down to approx. 0.5 μm the dominant features are dislocation bundles and random dislocations, although at a larger compressive strain of 30% dislocation rotation boundaries may also be found in the interior of grains of this size. A standard 〈1 1 0〉 fibre texture is found for all grain sizes, with a decreasing sharpness with decreasing grain size. The structural transitions with decreasing grain size are discussed based on the general principles of grain subdivision by deformation-induced dislocation boundaries and of low-energy dislocation structures as applied to the not hitherto explored near-micrometre grain size regime

  13. Effects of local structure on helium bubble growth in bulk and at grain boundaries of bcc iron: A molecular dynamics study

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Li [Univ. of Electronic Science and Technology of China, Chengdu (China); Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Gao, Fei [Univ. of Michigan, Ann Arbor, MI (United States); Kurtz, Richard J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Zu, Xiaotao [Univ. of Electronic Science and Technology of China, Chengdu (China); Peng, S. M. [China Academy of Engineering Physics, Mianyang (China); Long, X. G. [China Academy of Engineering Physics, Mianyang (China); Zhou, X. S. [China Academy of Engineering Physics, Mianyang (China)

    2015-07-15

    The nucleation and growth of helium (He) bubbles in the bulk and at Σ3 <110> {112} and Σ73b <110> {661} grain boundaries (GBs) in bcc iron have been investigated using molecular dynamics simulations. The results show that a 1/2 <111> {111} dislocation loop is formed with the sequential collection of <111> interstitial crowdions at the periphery of the He cluster and is eventually emitted from the He cluster. Insertion of 45 He atoms into a He cluster leads to the formation of a 1/2 <111> dislocation loop in Σ3 GB. It is of interest to notice that the transition of a dislocation segment through the GB leads to the formation of a step at the GB plane following the loop formation, accounting for the formation of a residual GB defect. A 1/2 <111> loop, with a {110} habit plane, is emitted with further increase of the He bubble size in the Σ3 GB. In contrast, the sequential insertion of He atoms in Σ73b GB continuously emits self-interstitial atoms (SIAs), but these SIAs rearrange at the core of the inherent GB dislocation, instead of forming a dislocation loop, which leads the GB dislocation to propagate along the [1¯1¯ 1 2] direction. In the bulk and Σ3 GB, the He bubble exhibits three-dimensionally spherical shape, but it forms longitudinal shape along the dislocation line in the Σ73 GB, a shape commonly observed at GBs in experiments.

  14. Development of Nano-sized Oxide Dispersion Strengthened (ODS) Alloy for Nuclear Application

    International Nuclear Information System (INIS)

    Kim, Sung Soo; Jang, J. S; Kim, W. G.; Kim, D. W.; Han, C. H.; Ryu, H. J.; Kim, T. K.; Yang, S. K.; Kim, M. H.

    2009-08-01

    This research report is the 1st step of a 2-year period during a 5-year project, which is the development of nano-sized oxide dispersion strengthened (ODS) alloys for nuclear application. The manufacturing variables were investigated, and a suitable manufacturing process was established in order to establish a process for an isotropic ODS alloy. A spark plasma sintering (SPS) process was newly applied to enhance sintering before the application of a hydro-isostatic process (HIP). The minimum temperature for successful SPS for mechanical alloying is identified as 1050 .deg. C. The suitable HIP temperature and the hot roll temperature after the HIP process are identified as 1250 .deg. C. The highest strength appeared in the ODS alloy with an austenitic structure containing 0.5% Y 2 O 3 , a high temperature yield strength at 700 .deg. C, and a total elongation of 416 MPa and 17 %. It appeared that the directional difference in the strength and elongation between the longitudinal and transverse directions in the test alloy manufactured by a wet process was within 5%. The ODS alloy using both SPS and the HIP showed an impact energy of 7.7J using a KLST specimen. Creep rupture tests for 9 Cr ODS alloys were carried out to identify a creep rupture time at 700 .deg. C. A stress level of over 100 MPa was applied for the accelerated creep tests. The predicted creep rupture strength using an extrapolation method at 700 .deg. C for 10,000 hours was 63 MPa. The ion irradiation experiments on the Grade 92 and MA 956 at 440 and 570 .deg. C showed that the MA 956 ODS alloy exhibited a 1/3 level of swelling and a higher number of voids at 570 .deg. C. This seemed to be due to the fact that the oxide in the ODS alloy provided the preferential annihilation site for the point defects

  15. Synthesis and Characterization of Nano-Sized Hexagonal and Spherical Nanoparticles of Zinc Oxide

    Directory of Open Access Journals (Sweden)

    M. A. Moghri Moazzen

    2012-09-01

    Full Text Available ZnO plays an important role in many semiconductors technological aspects.  Here,  direct  precipitation  method  was  employed  for  the synthesis of nano-sized hexagonal ZnO particles, which is based on chemical  reactions between  raw materials used  in  the  experiment. ZnO  nanoparticles  were  synthesized  by  calcinations  of  the  ZnO precursor precipitates  at 250  ˚C  for 3hours. The particle  size  and structure of the products have been confirmed by XRD. The FT-IR study  confirms  the  presence  of  functional  groups.  Also,  the morphology  and  size  distribution  of  ZnO  nanoparticles  was analyzed by TEM images. The optical properties were investigated by UV–Visible  spectroscopy. The XRD  results  show  that  the  size of  the prepared nanoparticles  is  in  the  range  of 20–40 nm, which this value  is  in good agreement with  the TEM  results. The FT-IR spectrum clearly indicates the formation of an interfacial chemical bond between Zn and O. Also  the UV absorption depends on  the particles  size  and morphology,  so  the  optical properties  enhances with  decreasing  nanoparticles  size.  Moreover  the  direct precipitation technique is a feasible method for production of ZnO nanopowders.

  16. Improving the electrochemical properties of nanosized LiFePO4-based electrode by boron doping

    International Nuclear Information System (INIS)

    Trócoli, Rafael; Franger, Sylvain; Cruz, Manuel; Morales, Julián; Santos-Peña, Jesús

    2014-01-01

    Highlights: • Thermal treatment of boron phosphate with LiFePO 4 provides electrode materials with high performance in lithium half-cells: 160 mAh·g -1 (90% of theoretical capacity) under C/5 rate • The products are composites containing boron-modified LiFePO 4 , FePO 4 and an amorphous phase with ionic diffusion properties • The boron treatment affects textural, conductive and lithium diffusivity of the electrode material leading to higher performance • A limited boron-doping of the phospholivine structure is observed - Abstract: Electrode materials with homogeneous distribution of boron were obtained by heating mixtures of nanosized carbon-coated lithium iron phosphate and BPO 4 in 3-9% weight at 700 °C. The materials can be described as nanocomposites containing i) LiFePO 4 , possibly doped with a low amount of boron, ii) FePO 4 and iii) an amorphous layer based on Li 4 P 2 O 7 -derived material that surrounds the phosphate particles. The thermal treatment with BPO 4 also triggered changes in the carbon coating graphitic order. Galvanostatic and voltammetric studies in lithium half-cells showed smaller polarisation, higher capacity and better cycle life for the boron-doped composites. For instance, one of the solids, called B 6 -LiFePO 4 , provided close to 150 and 140 mAhg -1 (87% and 81% of theoretical capacity, respectively) under C/2.5 and C regimes after several cycles. Improved specific surface area, carbon graphitization, conductivity and lithium ion diffusivity in the boron-doped phospholivine network account for this excellent rate performance. The properties of an amorphous layer surrounding the phosphate particles also account for such higher performance

  17. Simulating grain size estimation

    Czech Academy of Sciences Publication Activity Database

    Saxl, Ivan; Sülleiová, K.; Ponížil, P.

    2001-01-01

    Roč. 39, č. 6 (2001), s. 396-409 ISSN 0023-432X R&D Projects: GA ČR GA201/99/0269 Keywords : grain size estimation% ASTM standards%Voronoi tessellations Subject RIV: BE - Theoretical Physics Impact factor: 0.343, year: 2001

  18. Interstellar grain surface chemistry

    International Nuclear Information System (INIS)

    Tielens, A.G.G.M.

    1989-01-01

    Theoretical calculations, laboratory studies, and observations of interstellar icy grain mantles are reviewed. The emphasis is on recent ground-based observations of the interstellar 2167 cm -1 (4.67μm) band and air-borne studies of the interstellar 1665 and 1460 cm -1 (6.0 and 6.85μm) bands. From a comparison with laboratory studies it is concluded that interstellar icy gain mantles consist mainly of H 2 O, CH 3 OH and CO in an approximate ratio of 100:50:5. Traces of other molecules have also been detected. Evidence for the presence of a separate, more inert, grain mantle component, perhaps consisting mainly of solid CO, will also be presented. Theoretical calculations of the composition of interstellar icy gain mantles are confronted with observational data and the shortcomings of the models are pointed out. Finally, the evolution of icy grain mantles under UV irradiation and their possible interrelationship with an organic grain component observed in the diffuse interstellar medium are discussed

  19. 6 Grain Yield

    African Journals Online (AJOL)

    have stable, not too short crop duration with ... Ndiaye is located in the. Costal Delta region of Senegal. The climate of the Delta is characterized by a wet season from July to October with approximately. 200 mm of ..... Analysis of variance of the effect of site and season on maturity, grain yield and plant height of 16 rice.

  20. Luminescence properties of YAG:Nd nano-sized ceramic powders ...

    Indian Academy of Sciences (India)

    equipment and crucible material and fabricating large sizes and high neodymium concentrations are difficult. Recent investigations have indicated that YAG:Nd3+ polycrystalline nano-sized ceramic powders are among the most promis- ing materials for solid-state lasers (Skita et al 1991; Ikesue et al 1995; Lu et al 2000a, b, ...

  1. Luminescence properties of YAG:Nd nano-sized ceramic powders ...

    Indian Academy of Sciences (India)

    Nano-sized ceramic powders with weaker aggregation of Nd3+-doped yttrium aluminum garnet. (YAG:Nd3+) ... Under excitation at 488 nm, YAG:Nd3+ nano- ..... Rabinovitch Y, Bogicevic C, Karolak F, Tétard D and Dammak H. 2008 J. Mater. Process Tech. 199 314. Sekino T and Sogabe Y 1993 Rev. Laser Eng. 21 827.

  2. Characterization of nano-size heterogeneities by small-angle-scattering

    International Nuclear Information System (INIS)

    Ohnuma, Masato

    2012-01-01

    Techniques of Small-Angle Neutron and X-ray Scattering (SANS and SAXS) are overviewed from principle to applications. Importance of characterizing composition of nano-size heterogeneity is explained based on the results obtained by combination of SANS and SAXS. (author)

  3. Adsorption study of Pb 2 ions on nanosized SnO2, synthesized by ...

    Indian Academy of Sciences (India)

    Adsorption of Pb2+ ions on combustion derived nanosized SnO2 is studied. The as synthesized SnO2 and lead ions adsorbed SnO2 are characterized by X-ray diffraction (XRD), scanning electron micrograph (SEM), and infrared spectroscopic (IR) techniques. The eluent is characterized by atomic absorption spectroscopy ...

  4. Synthesis and characterization of nano-sized CaCO3 in purified diet

    Science.gov (United States)

    Mulyaningsih, N. N.; Tresnasari, D. R.; Ramahwati, M. R.; Juwono, A. L.; Soejoko, D. S.; Astuti, D. A.

    2017-07-01

    The growth and development of animals depend strongly on the balanced nutrition in the diet. This research aims is to characterize the weight variations of nano-sized calcium carbonate (CaCO3) in purified diet that to be fed to animal model of rat. The nano-sized CaCO3 was prepared by milling the calcium carbonate particles for 20 hours at a rotation speed of 1000 rpm and resulting particle size in a range of 2-50 nm. Nano-sized CaCO3 added to purified diet to the four formulas that were identified as normal diet (N), deficiency calcium (DC), rich in calcium (RC), and poor calcium (PC) with containing in nano-sized CaCO3 much as 0.50 %, 0.00 %, 0.75 % and 0.25 % respectively. The nutritional content of the purified diet was proximate analyzed, it resulted as followed moisture, ash, fat, protein, crude fiber. The quantities of chemical element were analyzed by atomic absorption spectrometry (AAS), it resulted iron, magnesium, potassium and calcium. The results showed that N diet (Ca: 16,914.29 ppm) were suggested for healthy rats and RC diet (Ca: 33,696.13 ppm) for conditioned osteoporosis rats. The crystalline phases of the samples that were examined by X-ray diffraction showed that crystalline phase increased with the increasing concentration of CaCO3.

  5. Nanosized aerosols from consumer sprays: experimental analysis and exposure modeling for four commercial products

    Science.gov (United States)

    Lorenz, Christiane; Hagendorfer, Harald; von Goetz, Natalie; Kaegi, Ralf; Gehrig, Robert; Ulrich, Andrea; Scheringer, Martin; Hungerbühler, Konrad

    2011-08-01

    Consumer spray products are already on the market in the cosmetics and household sector, which suggest by their label that they contain engineered nanoparticles (ENP). Sprays are considered critical for human health, because the lungs represent a major route for the uptake of ENP into the human body. To contribute to the exposure assessment of ENP in consumer spray products, we analyzed ENP in four commercially available sprays: one antiperspirant, two shoe impregnation sprays, and one plant-strengthening agent. The spray dispersions were analyzed by inductively coupled plasma mass spectrometry (ICPMS) and (scanning-) transmission electron microscopy ((S)TEM). Aerosols were generated by using the original vessels, and analyzed by scanning mobility particle sizer (SMPS) and (S)TEM. On the basis of SMPS results, the nanosized aerosol depositing in the respiratory tract was modeled for female and male consumers. The derived exposure levels reflect a single spray application. We identified ENP in the dispersions of two products (shoe impregnation and plant spray). Nanosized aerosols were observed in three products that contained propellant gas. The aerosol number concentration increased linearly with the sprayed amount, with the highest concentration resulting from the antiperspirant. Modeled aerosol exposure levels were in the range of 1010 nanosized aerosol components per person and application event for the antiperspirant and the impregnation sprays, with the largest fraction of nanosized aerosol depositing in the alveolar region. Negligible exposure from the application of the plant spray (pump spray) was observed.

  6. Primary particles and their agglomerate formation as modifying risk factors of nonfibrous nanosized dust.

    Science.gov (United States)

    Schneider, J; Walter, D; Brückel, B; Rödelsperger, K

    2013-01-01

    The incidence of certain cancers correlates with the number of dust particles in the air. Nanosized particles differ from coarser particles by their increasing tendency to form agglomerates. The dissociation of biodurable agglomerates after deposition in the alveolar region resulted in a higher toxic potential. Biodurable dusts in the urban and workplace environment were analyzed to determine an effect-relevant exposure parameter. The characterization of the dusts relating to their number of primary particles (P(p)) and agglomerates and aggregates (A + A) was performed by electron microscopy. Diesel soot, toner material, and seven further dust samples in the workplace environment are composed of high numbers of nanosized primary particles (agglomerates. Primary particles of rock, kaoline, and seven further dusts sampled in the workplace are not nanosized. In a multivariate analysis that predicted lung tumor risk, the mass, volume, and numbers of A + A and P(p) per milligram dust were shown to be relevant parameters. Dose-response relationships revealed an increased tumor risk in rats with higher numbers of P(p) in nanosized dust, which occurs unintentionally in the environment.

  7. Nano-Sized Zero Valent Iron and Covalent Organic Polymer Composites for Azo Dye Remediation

    DEFF Research Database (Denmark)

    Mines, Paul D.; Byun, Jeehye; Hwang, Yuhoon

    2014-01-01

    Having superior reductive properties and large surface areas, nanosized zero valent iron (nZVI) is ideal for the degradation of chemicals such as azo dyes and trichloroethylene (TCE). However, immobilization of nZVI is a key parameter in its effectiveness as a chemical degradation agent. In this ...

  8. Application of the ellipsoid modeling of the average shape of nanosized crystallites in powder diffraction

    DEFF Research Database (Denmark)

    Katerinopoulou, Anna; Balic Zunic, Tonci; Lundegaard, Lars Fahl

    2012-01-01

    Anisotropic broadening correction in X-ray powder diffraction by an ellipsoidal formula is applied on samples with nanosized crystals. Two cases of minerals with largely anisotropic crystallite shapes are presented. The properly applied formalism not only improves the fitting of the theoretical...

  9. Design and Performance of Rigid Nanosize Multimetallic Cartwheel Pincer Compounds as Lewis-Acid Catalysts

    NARCIS (Netherlands)

    Koten, G. van; Dijkstra, H.P.; Meijer, M.D.; Patel, J.; Kreiter, R.; Klink, G.P.M. van; Lutz, M.H.; Spek, A.L.; Canty, A.J.

    2001-01-01

    Novel strategies for the preparation of rigid cartwheel pincer metal complexes have been developed. The aromatic backbone of these materials ensures a high rigidity, which is expected to be important for a high retention when these multimetallic nanosize complexes are applied as homogeneous

  10. Formulation of solid nano-sized particles in a gel-forming system

    DEFF Research Database (Denmark)

    2013-01-01

    The present invention relates to novel formulations comprising a plurality of nano-sized solid particles and a gel-forming system, useful e.g. for imaging of the body of a mammal. Also described are kits comprising such formulations and imaging methods utilizing such formulations or kits....

  11. Ultra Fine-Grained AZ31 Magnesium Alloy Obtained by a Combination of Grain Refinement and Equal Channel Angular Pressing

    Science.gov (United States)

    Torbati-Sarraf, S. A.; Mahmudi, R.

    Different amounts of Al-5Ti-1B master alloy (TiBAl) were added to the AZ31 magnesium alloy (Mg-3Al-1Zn-0.2Mn) as grain refiner and the resulting microstructure and grain size distributions were studied after extrusion and equal channel angular pressing (ECAP). Results showed that the addition of 0.6% TiBAl had the strongest grain refinement effect, reducing the grain sizes by 54.5 and 48.5% in the extruded and ECAPed conditions, respectively. The observed grain refinement was partly due to the presence of the thermally-stable micron- and submicron-sized particles in the melt which act as nucleation sites during solidification. During the high-temperature extrusion and ECAP processes, dynamic recrystallization (DRX) and grain growth are likely to occur. However, the mentioned particles will help in reducing the grain size by the particle stimulated nucleation (PSN) mechanism. Furthermore, the pinning effect of these particles can oppose grain growth by reducing the grain boundary migration. These two phenomena together with the partitioning of the grains imposed by the severe plastic deformation in the ECAP process have all contributed to the achieved ultrafine-grained structure in the AZ31 alloy.

  12. Structural, optical and photo thermal properties of Er3+:Y2O3 doped PMMA nanocomposite

    Science.gov (United States)

    Tabanli, Sevcan; Eryurek, Gonul

    2018-02-01

    Thermal decomposition technique was employed to synthesize of phosphors of yttria (Y2O3) doped with erbium (Er3+) ions. After the synthesized procedure, the nano-sized crystalline powders were annealed at 800oC for 24 h. Annealed powders were embedded in poly(methyl methacrylate) (PMMA) by free radical polymerization to fabricate nanocomposite polymer materials. The crystalline structure of the powder and doped PMMA nanocomposite samples were determined using X-ray diffraction technique. Scherrer's equation and the FW1/5/4/5M method were used to determine average crystalline size and grain size distributions, respectively. The spectroscopic properties of the powders and doped PMMA nanocomposites were studied by measuring the upconversion emission spectra under near-infrared laser excitation at room temperature. The laser-induced photo thermal behaviors of Er3+:Y2O3 nano-powders and doped PMMA nanocomposite were investigated using the fluorescence intensity ratio (FIR) technique.

  13. Characterization of food-grade titanium dioxide: the presence of nanosized particles.

    Science.gov (United States)

    Yang, Yu; Doudrick, Kyle; Bi, Xiangyu; Hristovski, Kiril; Herckes, Pierre; Westerhoff, Paul; Kaegi, Ralf

    2014-06-03

    Titanium dioxide (TiO2) is widely used in food products, which will eventually enter wastewater treatment plants and terrestrial or aquatic environments, yet little is known about the fraction of this TiO2 that is nanoscale, or the physical and chemical properties of TiO2 that influence its human and environmental fate or toxicity. Instead of analyzing TiO2 properties in complex food or environmental samples, we procured samples of food-grade TiO2 obtained from global food suppliers and then, using spectroscopic and other analytical techniques, quantified several parameters (elemental composition, crystal structure, size, and surface composition) that are reported to influence environmental fate and toxicity. Another sample of nano-TiO2 that is generally sold for catalytic applications (P25) and widely used in toxicity studies, was analyzed for comparison. Food-grade and P25 TiO2 are engineered products, frequently synthesized from purified titanium precursors, and not milled from bulk scale minerals. Nanosized materials were present in all of the food-grade TiO2 samples, and transmission electron microscopy showed that samples 1-5 contained 35, 23, 21, 17, and 19% of nanosized primary particles (average hydrodynamic diameter of >100 nm. Food-grade samples contained phosphorus (P), with concentrations ranging from 0.5 to 1.8 mg of P/g of TiO2. The phosphorus content of P25 was below inductively coupled plasma mass spectrometry detection limits. Presumably because of a P-based coating detected by X-ray photoelectron spectroscopy, the ζ potential of the food-grade TiO2 suspension in deionized water ranged from -10 to -45 mV around pH 7, and the iso-electric point for food-grade TiO2 (grade materials, and although the presence of amorphous TiO2 could not be ruled out, it is unlikely on the basis of Raman analysis. The food-grade TiO2 was solar photoactive. Cationic dyes adsorbed more readily to food-grade TiO2 than P25, indicating very different potentials for

  14. Effect of grain boundary misorientation on discontinuous ...

    Indian Academy of Sciences (India)

    Administrator

    Although the texture of the as-cast structure is weak, the hot-rolled sample exhibits a well-developed basal texture consisting of the 〈0001〉 crystal axis parallel to the normal direction of the sample. Figure 2c shows that recrystallization and subsequent grain growth anneal- ing at 725 K for 72 h did not significantly alter the.

  15. Magnetization of a Single Carbonaceous Grain Obtained by Field-Induced Acceleration

    Science.gov (United States)

    Hisayoshi, Keiji; Uyeda, Chiaki

    2017-10-01

    Diamagnetic susceptibility χDIA of single carbonaceous grains were detected by observing their translations induced by field-gradient force in an area of microgravity. Using the above method, χDIA of a small carbonaceous particle is obtained with no interfering signal of the sample holder; it is unnecessary to know the mass of sample. The χDIA values of various materials obtained by the above method agreed fairly well with their published values. By comparing the obtained χDIA value with a list of published values, the material of an unidentified organic grain can be determined without consuming the sample. The principle of magnetic transition is applicable to investigate the magnetic properties of nano-size carbonaceous materials.

  16. Biaxial magnetic grain alignment

    International Nuclear Information System (INIS)

    Staines, M.; Genoud, J.-Y.; Mawdsley, A.; Manojlovic, V.

    2000-01-01

    Full text: We describe a dynamic magnetic grain alignment technique which can be used to produce YBCO thick films with a high degree of biaxial texture. The technique is, however, generally applicable to preparing ceramics or composite materials from granular materials with orthorhombic or lower crystal symmetry and is therefore not restricted to superconducting applications. Because magnetic alignment is a bulk effect, textured substrates are not required, unlike epitaxial coated tape processes such as RABiTS. We have used the technique to produce thick films of Y-247 on untextured silver substrates. After processing to Y-123 the films show a clear enhancement of critical current density relative to identically prepared untextured or uniaxially textured samples. We describe procedures for preparing materials using magnetic biaxial grain alignment with the emphasis on alignment in epoxy, which can give extremely high texture. X-ray rocking curves with FWHM of as little as 1-2 degrees have been measured

  17. Electrical properties of nanosized non-barrier inhomogeneities in Zn-based metal-semiconductor contacts to InP

    DEFF Research Database (Denmark)

    Clausen, Thomas; Leistiko, Otto

    1998-01-01

    We have found that the electrical properties of carriers across the metal-semiconductor interface for alloyed Zn based metallizations to n- and p-InP are dominated by nanosized non-barrier inhomogeneities. The effective area covered by the nanosized regions is a small fraction of the contact area...... resulting in high values of the specific contact resistance to p-InP. For n(-)-InP, thermionic emission across nanosized inhomogeneities dominates the carrier flow when T-ann > 440 degrees C. (C) 1998 Elsevier Science B.V....

  18. Grain alcohol study: summary

    Energy Technology Data Exchange (ETDEWEB)

    The study has concentrated upon a detailed examination of all considerations involved in the production, use, and marketing of ethyl alcohol (ethanol) as produced from the fermentation of agricultural grains. Each parameter was examined in the light of current energy markets and trends; new sources and technological, and processes for fermentation, the capability of the agricultural industry to support fermentation demand; the optimizaton of value of agricultural crops; and the efficiencies of combining related industries. Ahydrous (200 proof) ethanol makes an excellent blending component for all present automotive fuels and an excellent octane additive for unleaded fuels in proportions up to 35% without requiring modifications to current engines. There is no difference between ethanol produced by fermentation and ethanol produced synthetically from petroleum. The decision to produce ethanol one way or the other is purely economic. The agricultural industry can support a major expansion in the fermentation industry. The residue (distillers grains) from the fermentation of corn for ethanol is an excellent and economical feed for livestock and poultry. A reliable supply of distillers grain can assist in making the large beef feedlot operations more economically viable. The source materials, fuels, products and by-products of an ethanol plant, beef feedlot, gas biodigester plant, municipal waste recovery plant and a steam generated electrical plant are interrelated and mutually beneficial for energy efficiencies and economic gains when co-located. The study concludes that the establishment of such agricultural- environment industrial energy complexes, would provide a broad range of significant benefits to Indiana.

  19. Grain alcohol study: summary

    Energy Technology Data Exchange (ETDEWEB)

    The study has concentrated upon a detailed examination of all considerations involved in the production, use, and marketing of ethyl alcohol (Ethanol) as produced from the fermentation of agricultural grains. Each parameter was examined in the light of current energy markets and trends; new sources and technological, and processes for fermentation, the capability of the agricultural industry to support fermentaton demand; the optimization of value of agricultureal crops; and the efficiencies of combining related industries. Anhydrous (200 proof) ethanol makes an excellent blending component for all present automotive fuels and an excellent octane additive for unleaded fuels in proportions up to 35% without requiring modifications to current engines. There is no difference between ethanol produced by fermentation and ethanol produced synthetically from petroleum. The decision to produce ethanol one way or the other is purely economic. The agricultural industry can support a major expansion in the fermentation industry. The residue (distillers grains) from the fermentation of corn for ethanol is an excellent and economical feed for livestock and poultry. A reliable supply of distillers grains can assist in making the large beef feedlot operations more economically viable. The source materials, fuels, products and by-products of an ethanol plant, beef feedlot, gas biodigester plant, municipal waste recovery plant and a steam generated electrical plant are interrelated and mutually beneficial for energy efficiencies and economic gains when co-located. The study concludes that the establishment of such agricultural-environment industrial energy complexes, would provide a broad range of significant benefits to Indiana.

  20. Grain preservation in SSSR

    International Nuclear Information System (INIS)

    Trisviatski, L.A.

    1973-01-01

    First the importance of cereals collected in the S.S.S.R., the reason why the government had to put in practice a storage chain, composed of large capacity store houses (200 000 metric tonnes, or more) is reminded. When climatic conditions result in wet harvested grains, cereals are dried either in state enterprise dryers (32 to 50 tonnes/hour) or in kolkhozes' dryers (2 to 16 tonnes/hour). A new type of drying with recycling, has been developped, economizing 10 to 15 p. 100. Then the possibilities offered by the technique of partial drying of very wet grains are studied and the preservation processes using fresh ventilation, or hot ventilation with drying effect are described. The question of silage of wet grains destined to animal consumption is then examined as well as preservation by sodium pyrosulfide; the use of propionic acid, little developped in SSSR, is studied now, just as storage with inert gas. The struggle technics against insects, either with chemical agents, or with irradiation are described. Finally the modalities of technicians formation, specialized in preservation, are discussed [fr

  1. Fine-grained concrete with organomineral additive

    Directory of Open Access Journals (Sweden)

    Solovyov Vitaly

    2016-01-01

    Full Text Available The article deals with the issues concerning the formation of the structure and properties of fine-grained concrete with organomineral additive produced through mechanochemical activation of thermal power plant fly ash together with superplasticizer. The additive is produced in a high-speed activator at the collision particles’ speed of about 80 m/s. The use of the additive in fine-grained concrete in the amounts of 0.5-1% increased the strength by 30-50% and reduced the size and volume of pores. The cement consumption in such concrete is close to the cement consumption in common concrete of equal resistance.

  2. Micrometer size grains of hot isostatically pressed alumina and its ...

    Indian Academy of Sciences (India)

    Administrator

    The. Vickers hardness in 5⋅5 μm grain microstructure is around 20 GPa in comparison to about 18 GPa in micro- structure with smaller grains of 2⋅2 μm size. Keywords. Alumina ... the technology of alumina ceramics (Munro 1997; Raha- man et al 2007) by purer ... reported interface-reaction-controlled kinetics of HIPing.

  3. Sonochemical synthesis, characterization, thermal and semiconducting behavior of nano-sized azidopentaamminecobalt(III) complexes containing anion, CrO42-or Cr2O72.

    Science.gov (United States)

    Bala, Ritu; Behal, Jagriti; Shah, Nikesh A; Rathod, K N; Prakash, Vinit; Khunt, Ranjan C

    2018-03-01

    New nano-sized cobalt(III) coordination complexes, [Co(NH 3 ) 5 N 3 ]CrO 4 (1N) and [Co(NH 3 ) 5 N 3 ]Cr 2 O 7 (2N) were synthesized using an innovative sonochemical methodology based on reaction between [Co(NH 3 ) 5 N 3 ]Cl 2 and potassium salt of CrO 4 2- or Cr 2 O 7 2- in aqueous medium. These complexes were also compared with their respective bulks which were synthesized under identical conditions in the absence of sonicaion. All the complexes were characterized by elemental analysis and spectroscopic techniques (UV-visible and IR). Morphology and particle size of nano-sized complexes was determined by SEM and Zeta-sizer respectively. TGA was used for comparative thermal stability and XRD to identify the phase difference between nano structures and bulk complexes. Furthermore, the electrical property was investigated and all complexes were found to be electrical semiconducting materials and 2N shows better result than others. The single crystals X-ray structure study of new [Co(NH 3 ) 5 N 3 ]Cr 2 O 7 revealed the presence of discrete ions, [Co(NH 3 ) 5 N 3 ] 2+ and Cr 2 O 7 2- , crystallizes in monoclinic, space group P c , with R=0.0636 in the solid state. Copyright © 2017 Elsevier B.V. All rights reserved.

  4. Storing Peanuts in Grain Bags

    Science.gov (United States)

    A study was executed to determine the potential of storing farmers stock peanuts and shelled peanuts for crushing in hermetically sealed grain bags. The objectives of the study were to evaluate equipment for loading and unloading the grain bags, the capacity of the grain bags, and the changes in qu...

  5. Large grain gallium arsenide thin films

    Science.gov (United States)

    Chu, S. S.; Chu, T. L.; Firouzi, H.; Han, Y. X.; Chen, W. J.; Wang, Q. H.

    Polycrystalline gallium arsenide films deposited on tungsten/graphite substrates have been used for the fabrication of thin film solar cells. Gallium arsenide films deposited on foreign substrates of 10 microns or less thickness exhibit, in most cases, pronounced shunting effects due to grain boundaries. MOS solar cells of 9 sq cm area with an AM1 efficiency of 8.5 percent and p(+)/n/n(+) homojunction solar cells of 1 sq cm area with an AM1 efficiency of 8.8 percent have been prepared. However, in order to further improve the conversion efficiency before the development of effective passivation techniques, gallium arsenide films with large and uniform grain structure are necessary. The large grain gallium arsenide films have been prepared by using (1) the arsine treatment of a thin layer of molten gallium on the substrate surface and (2) the recrystallized germanium films on tungsten/graphite as substrates.

  6. Grain surface chemistry in protoplanetary disks

    International Nuclear Information System (INIS)

    Reboussin, Laura

    2015-01-01

    Planetary formation occurs in the protoplanetary disks of gas and dust. Although dust represents only 1% of the total disk mass, it plays a fundamental role in disk chemical evolution since it acts as a catalyst for the formation of molecules. Understanding this chemistry is therefore essential to determine the initial conditions from which planets form. During my thesis, I studied grain-surface chemistry and its impact on the chemical evolution of molecular cloud, initial condition for disk formation, and protoplanetary disk. Thanks to numerical simulations, using the gas-grain code Nautilus, I showed the importance of diffusion reactions and gas-grain interactions for the abundances of gas-phase species. Model results combined with observations also showed the effects of the physical structure (in temperature, density, AV) on the molecular distribution in disks. (author)

  7. Thermo-stabilized, porous polyimide microspheres prepared from nanosized SiO2 templating via in situ polymerization

    Directory of Open Access Journals (Sweden)

    M. Q. Liu

    2015-01-01

    Full Text Available In this article, we addressed a feasible and versatile method of the fabrication of porous polyimide microspheres presenting excellent heat resistance. The preparation process consisted of two steps. Firstly, a novel polyimide/nano-silica composite microsphere was prepared via the self-assembly structures of poly(amic acid (PAA, precursor of PI/nanosized SiO2 blends after in situ polymerization, following the two-steps imidization. Subsequently, the encapsulated nanoparticles were etched away by hydrofluoric acid treatment, giving rise to the pores. It is found the composite structure of PI/SiO2 is a precondition of the formation of nanoporous structures, furthermore, the morphology of the resultant pore could be relatively tuned by changing the content and initial morphology of silica nano-particles trapped into PI matrix. The thermal properties of the synthesized PI porous spheres were studied, indicating that the introduction of nanopores could not effectively influence the thermal stabilities of PI microspheres. Moreover, the fabrication technique described here may be extended to other porous polymer systems.

  8. Low temperature solvothermal synthesis of nanosized NiSb as a Li-ion battery anode material

    International Nuclear Information System (INIS)

    Xie, J.; Zhao, X.B.; Yu, H.M.; Qi, H.; Cao, G.S.; Tu, J.P.

    2007-01-01

    Nanosized intermetallic compound NiSb was successfully synthesized by a solvothermal route and studied as a promising anode material for secondary lithium-ion batteries. The as-prepared NiSb powder was characterized by X-ray diffraction (XRD), transmission electron microscope (TEM) and field emission scanning electron microscope (FESEM). The electrochemical performance of the nanosized NiSb electrode was investigated by constant current charge and discharge cycling and electrochemical impedance spectroscopy (EIS). It was found that the nanosized NiSb shows a higher initial capacity compared to microsized one prepared by a levitation-melting/ball-milling route due to larger specific surface area of the nanomaterial. The nanosized NiSb shows a rapid capacity fade due to the pulverization and exfoliation of active material caused by severe electrochemical grinding upon long-term cycling

  9. Thermal stability of the grain structure in the W-2V and W-2V-0.5Y{sub 2}O{sub 3} alloys produced by hot isostatic pressing

    Energy Technology Data Exchange (ETDEWEB)

    Martínez, J.; Savoini, B.; Monge, M.A. [Departamento de Física, Universidad Carlos III de Madrid, 28911-Leganés Madrid (Spain); Muñoz, A., E-mail: angel.munoz@uc3m.es [Departamento de Física, Universidad Carlos III de Madrid, 28911-Leganés Madrid (Spain); Armstrong, D.E.J. [Department of Materials, University of Oxford, Park Road, Oxford OX1 3PH (United Kingdom); Pareja, R. [Departamento de Física, Universidad Carlos III de Madrid, 28911-Leganés Madrid (Spain)

    2013-10-15

    Highlights: • W-2V and ODS W-2V-0.5Y{sub 2}O{sub 3} alloys have been produced following a powder metallurgy route. • Grain microstructure and microhardness have been studied after isothermal treatments in vacuum. • Both alloys exhibit a duplex grain size population: a submicron-sized grain and a coarse grained one. • The Y{sub 2}O{sub 3} addition inhibits growth of the coarse grains for T < 1973 K. • The Y{sub 2}O{sub 3} nanoparticles enhance the microhardness of W-2V-0.5Y{sub 2}O{sub 3}. -- Abstract: W-2V and ODS W-2V-0.5Y{sub 2}O{sub 3} alloys have been produced following a powder metallurgy route consisting of mechanical alloying and a subsequent high isostatic pressing HIP at 1573 K. The grain microstructure and microhardness recovery of the alloys have been studied in samples subjected to isothermal treatments in vacuum in temperature range 1073–1973 K. Both alloys exhibit a duplex grain size distribution consisting of a submicron-sized grain and a coarse-grained population. It has been found that the Y{sub 2}O{sub 3} addition inhibits growth of the coarse grains at T < 1973 K. Submicron grain growth, with activation enthalpy of 1.9 and 2.49 eV for W-2V and W-2V-0.5Y{sub 2}O{sub 3}, respectively, was observed at T ≥ 1573 K. It resulted that the rate constant for grain growth is 30 times higher in W-2V-0.5Y{sub 2}O{sub 3} than in W-2V. The considerable enhancement of the microhardness in the W-2V-0.5Y{sub 2}O{sub 3} appears to be associated to dispersion strengthening.

  10. Mössbauer and magnetization studies of nanosize chromium ferrite

    African Journals Online (AJOL)

    user

    ray diffraction (XRD), vibrating sample magnetometer (VSM) and Mössbauer spectroscopic techniques. Synthesized chromium ferrite powders were in good phase and showed spinel structure in the XRD pattern. Nanocrystalline CrF powder ...

  11. Superplasticity and high temperature deformation behaviour in nano grain tungsten compacts

    Energy Technology Data Exchange (ETDEWEB)

    Oda, E. [Graduate School, Ritsumeikan University (Japan); Fujiwara, H. [Faculty of Science and Engineering, Ritsumeikan University, Kusatsu, Shiga (Japan); Ameyama, K.

    2008-04-15

    Nano grain tungsten is fabricated by Mechanical Milling (MM) process, and its grain growth behavior and high temperature deformability is investigated. As a result, a nano grain structure, whose grain size is approximately 20 nm or less, is obtained after MM for 360ks. Those nano grains demonstrate an irregular grain boundary structure, i.e., 'non-equilibrium grain boundary', and they change to a smooth grain boundary structure by annealing at 1023 K for 3.6 ks. Compacts with nano grain structure indicate superior sintering property even at 1273 K(0.35 T{sub m}). Rhenium addition prevents grain growth during sintering and thus the compacts indicate a further improvement in deformability. The compact is composed of equiaxed grain, whose grain size is 420 nm, and has low dislocation density even after the large deformation. The strain rate sensitivity, i.e., m-value, of 0.41 is obtained in the W-Re compact at 1473 K. Those results strongly imply that the nano grain W-Re compacts show superplasticity at less than half of the melting temperature, i.e., 1473 K(0.42 of the solidus temperature). (Abstract Copyright [2008], Wiley Periodicals, Inc.)

  12. A high-density genetic recombination map of sequence-tagged sites for sorghum, as a framework for comparative structural and evolutionary genomics of tropical grains and grasses.

    Science.gov (United States)

    Bowers, John E; Abbey, Colette; Anderson, Sharon; Chang, Charlene; Draye, Xavier; Hoppe, Alison H; Jessup, Russell; Lemke, Cornelia; Lennington, Jennifer; Li, Zhikang; Lin, Yann-Rong; Liu, Sin-Chieh; Luo, Lijun; Marler, Barry S; Ming, Reiguang; Mitchell, Sharon E; Qiang, Dou; Reischmann, Kim; Schulze, Stefan R; Skinner, D Neil; Wang, Yue-Wen; Kresovich, Stephen; Schertz, Keith F; Paterson, Andrew H

    2003-09-01

    We report a genetic recombination map for Sorghum of 2512 loci spaced at average 0.4 cM ( approximately 300 kb) intervals based on 2050 RFLP probes, including 865 heterologous probes that foster comparative genomics of Saccharum (sugarcane), Zea (maize), Oryza (rice), Pennisetum (millet, buffelgrass), the Triticeae (wheat, barley, oat, rye), and Arabidopsis. Mapped loci identify 61.5% of the recombination events in this progeny set and reveal strong positive crossover interference acting across intervals of structural rearrangements between Sorghum bicolor and S. propinquum, but not to variation in levels of intraspecific allelic richness. While cDNA and genomic clones are similarly distributed across the genome, SSR-containing clones show different abundance patterns. Rapidly evolving hypomethylated DNA may contribute to intraspecific genomic differentiation. Nonrandom distribution patterns of multiple loci detected by 357 probes suggest ancient chromosomal duplication followed by extensive rearrangement and gene loss. Exemplifying the value of these data for comparative genomics, we support and extend prior findings regarding maize-sorghum synteny-in particular, 45% of comparative loci fall outside the inferred colinear/syntenic regions, suggesting that many small rearrangements have occurred since maize-sorghum divergence. These genetically anchored sequence-tagged sites will foster many structural, functional and evolutionary genomic studies in major food, feed, and biomass crops.

  13. Alternative grains in nutrition

    Directory of Open Access Journals (Sweden)

    Jevcsák Sz.

    2016-12-01

    Full Text Available Many people suffer from gluten sensitivity or gluten intolerance. They have to avoid or limit their gluten intake. Sorghum and millet are gluten-free cereals, wherefore persons with gluten sensitivity or gluten intolerance could consume them. Moreover, they have a lot of positive effects due to their phenolic compounds as phenol acid or flavonoid. Antioxidant activity in sorghum is especially high in comparison with other cereals. Our aim was to compare literature data about the chemical compositions of sorghum and millet with other grains.

  14. Peculiar Spatiotemporal Behavior of Unstable Plastic Flow in an AlMgMnScZr Alloy with Coarse and Ultrafine Grains

    Directory of Open Access Journals (Sweden)

    Daria Zhemchuzhnikova

    2017-08-01

    Full Text Available The work addresses the effects of nanosize particles and grain refinement on the patterns of stress serrations and kinematics of deformation bands associated with the Portevin–Le Chatelier instability of plastic flow. Ultra-fine-grained microstructure was obtained using equal-channel angular pressing of the initial coarse-grained alloy. Tensile tests were carried out on flat specimens at strain rates in the range from 3 × 10−5 to 1.4 × 10−2 s−1. Using local extensometry techniques, it was found that the presence of nanoscale precipitates promotes quasi-continuous propagation of deformation bands in the entire strain-rate range. The grain refinement leads to a transition to relay-race propagation at high strain rates and static strain localization at low rates. The results are discussed from the viewpoint of competition between various dynamical modes of plastic deformation associated with collective dynamics of dislocations.

  15. Novel detection system for biomolecules using nano-sized bacterial magnetic particles and magnetic force microscopy.

    Science.gov (United States)

    Amemiya, Yosuke; Tanaka, Tsuyoshi; Yoza, Brandon; Matsunaga, Tadashi

    2005-11-21

    A system for streptavidin detection using biotin conjugated to nano-sized bacterial magnetic particles (BMPs) has been developed. BMPs, isolated from magnetic bacteria, were used as magnetic markers for magnetic force microscopy (MFM) imaging. The magnetic signal was obtained from a single particle using MFM without application of an external magnetic field. The number of biotin conjugated BMPs (biotin-BMPs) bound to streptavidin immobilized on the glass slides increased with streptavidin concentrations up to 100 pg/ml. The minimum streptavidin detection limit using this technique is 1 pg/ml, which is 100 times more sensitive than a conventional fluorescent detection system. This is the first report using single domain nano-sized magnetic particles as magnetic markers for biosensing. This assay system can be used for immunoassay and DNA detection with high sensitivities.

  16. Synthesis of nano-sized zirconium carbide by a sol-gel route

    Energy Technology Data Exchange (ETDEWEB)

    Dolle, M.; Gosset, D.; Simeone, D. [CEA Saclay, DMN, SRMA, Lab Anal Microstruct Mat, F-91191 Gif Sur Yvette (France); Bogicevic, C.; Karolak, F.; Baldinozzi, G. [Ecole Cent Paris, CNRS, UMR 8580, Lab Struct Proprietes and Modelisat Solides, F-92295 Chatenay Malabry (France)

    2007-07-01

    Nano-sized zirconium carbide was synthesized by a new simple sol-gel method Using zirconium n-prop-oxide, acetic acid as chemical modifier, and saccharose as carbon source. When heat-treated at 900 C under flowing argon, gels transformed into intimately mixed amorphous carbon and nano-sized tetragonal ZrO{sub 2}. Further heat treatments above 1200 degrees C led to the formation of zirconium carbide with some dissolved oxygen in the lattice. Oxygen content Could be reduced by increasing the heat treatment temperature from 1400 to 1600 degrees C, which unfortunately also induced a mean crystallites size increase from 90 to 150 inn. Short heat treatments above 1600 degrees C were carried out to further purify the samples and to limit the particles growth. A compromise between purity and average crystallite's size could then be found. Powders were assessed using X-ray diffraction, thermal analysis and scanning electron microscopy. (authors)

  17. NANO-SIZED PIGMENT APPLICATIONS IN İZNİK TILES

    Directory of Open Access Journals (Sweden)

    Esin GÜNAY

    2012-12-01

    Full Text Available Traditional İznik tiles are known as “unproducable” due to its high quartz content. İznik tiles contain four different layers as “body, engobe (slip, decors and glaze” and each one has some different starting materials. Recent studies have showed that the production techniques and the particle size of pigments are important parameters in development of colours. TUBITAK MRC and İznik Foundation carried out an experimental work to improve and understand the effects of nanotechnology application to İznik tiles. High quartz content was kept as it is and pigments were applied in decorationas nano-sized pigments.İznik tiles were produced and comparison was carried out between traditional and modern İznik tiles in colour and brightness. Characterization techniques were used in order to understand andcompare the results and also the effects of nano-sized pigments to İznik tiles.

  18. Feasibility of attaining uniform grain structure and enhanced ductility in aluminum alloy by employing a beveled punch in equal-channel angular pressing

    Energy Technology Data Exchange (ETDEWEB)

    Nejadseyfi, Omid, E-mail: o.nejadseyfi@gmail.com [Advanced Materials and Nanotechnology Research Lab, Department of Mechanical Engineering, K.N. Toosi University of Technology, Tehran (Iran, Islamic Republic of); Shokuhfar, Ali [Advanced Materials and Nanotechnology Research Lab, Department of Mechanical Engineering, K.N. Toosi University of Technology, Tehran (Iran, Islamic Republic of); Sadeghi, Seyedali [Department of Mechanical Engineering, Amirkabir University of Technology, Tehran (Iran, Islamic Republic of)

    2016-01-10

    The advantage of using a beveled-edge punch in equal-channel angular pressing is investigated. Lambda angle (λ), the clockwise angle between the theoretical shear plane and punch/billet interface, is used to demonstrate how the punch tip is inclined. Transmission electron microscope is used to assess the microstructure of the samples processed using a beveled-edge punch. In addition, tensile tests at elevated temperature are performed. The results show that using a beveled-edge punch (λ=90°) in the process leads to formation of uniform subgrain structure and increases the tensile ductility for the samples at elevated temperature. Additionally, finite element simulations are performed to study the correlation between measured properties and mechanism of material deformation by employing a beveled-edge punch. Numerical simulations confirm the irregular deformation in case of λ=0° and uniform strain distribution for λ=90°, which were the main reasons of variation in mechanical properties.

  19. Nanosized rods agglomerates as a new approach for formulation of a dry powder inhaler

    OpenAIRE

    Salem, HF; Abdelrahim, ME; Eid, K Abo; Sharaf, MA

    2011-01-01

    HF Salem1 ME Abdelrahim2 K Abo Eid3 MA Sharaf3,41Department of Pharmaceutics, 2Department of Clinical Pharmacy, Faculty of Pharmacy, The University of Beni Suef, Beni Suef; 3Department of Chemistry, Helwan University, Ain Helwan, Helwan, Egypt; 4Department of Chemistry, The American University in Cairo, New Cairo, Helwan 11835, EgyptBackground: Nanosized dry powder inhalers provide higher stability for poorly water-soluble drugs as compared with liquid formulations. However, the respirable pa...

  20. Synthesis of Nanosize Yttria-Stabilized Zirconia by a Molecular Decomposition Process

    Science.gov (United States)

    Jiang, Yi; Bhide, Sanjeevani V.; Virkar, Anil V.

    2001-02-01

    Nanosize yttria-stabilized zirconia (YSZ) was synthesized by a novel approach based on molecular decomposition. In this approach, yttria-doped BaZrO3 (Y-BaZrO3) or yttria-doped Na2ZrO3 (Y-Na2ZrO3) precursors were first synthesized from BaCO3, ZrO2, and Y2O3 or BaCO3 and commercial YSZ for Y-BaZrO3, and from Na2CO3 and YSZ for Y-Na2ZrO3, by a conventional solid-state reaction method. The precursors were then boiled to leach away the unwanted species, BaO or Na2O, either in a dilute HNO3 solution in water in the case of Y-BaZrO3, or in deionized water in the case of Y-Na2ZrO3. During boiling in HNO3 or water, the residue of Zr-Y-O skeleton formed fine, nanosize YSZ particles. The particle size of the as-synthesized nanosize powders estimated from X-ray diffraction peak broadening was ∼2-3 nm, while that estimated from specific surface area measurements by BET adsorption isotherm was ∼15 nm. Examination under a transmission electron microscope showed that the crystallite size was ∼5 nm. Samples were also examined by Raman spectroscopy to determine the crystallographic polymorph of the YSZ formed. Subsequent heating in air led to particle growth. However, even when the particles were heated to a temperature as high as 1000°C, the particle size was well in the nanosize range.

  1. Synthesis and characterization of nanosized Cu/ZnO catalyst by polyol method.

    Science.gov (United States)

    Altinçekiç, Tuba Gürkaynak; Boz, Ismail; Aktürk, Selçuk

    2008-02-01

    Nanosized catalysts composed of metallic copper supported on zinc oxide have been synthesized by the polyol process. Average crystallite size of copper was between 10 and 45 nm. Cu/ZnO catalyst particles were characterized by various techniques, such as X-ray Powder Diffraction (XRD), Scanning Electron Microscopy (SEM), Transmission Electron Microscopy (TEM), Selected Area Electron Diffraction (SAED), and dynamic light scattering analysis (DLS).

  2. Low temperature synthesis of nanosized Mn1–xZnxFe2O4 ferrites ...

    Indian Academy of Sciences (India)

    Nanosized Mn1–ZnFe2O4 ( = 0, 0.1, 0.3, 0.5, 0.6, 0.7, 0.9) mixed ferrite samples of particle size < 12 nm were prepared using the co-precipitation technique by doping the Zn2+ ion impurities. Autoclave was employed to maintain constant temperature of 80°C and a constant pressure. The X-ray analysis and the IR ...

  3. Anti-friction properties of thin layered nanosized protective films “Epilam”: synergy effect

    International Nuclear Information System (INIS)

    Vokhidov, A S

    2017-01-01

    In the general concept of temperature-resistant antifriction coatings, greate attention is paid to the growing use of multifunctional films. Epilams are polymer compositions, studying organic chemistry, namely to compositions (liquids), which, when applied to a solid surface, form on it nanosize multifunctional molecular film of a certain way of oriented molecules of surface-active agents (surfactants, SAA), which significantly changes the surface energy of the base (substrate). (paper)

  4. Anti-friction properties of thin layered nanosized protective films “Epilam”: synergy effect

    Science.gov (United States)

    Vokhidov, A. S.

    2017-05-01

    In the general concept of temperature-resistant antifriction coatings, greate attention is paid to the growing use of multifunctional films. Epilams are polymer compositions, studying organic chemistry, namely to compositions (liquids), which, when applied to a solid surface, form on it nanosize multifunctional molecular film of a certain way of oriented molecules of surface-active agents (surfactants, SAA), which significantly changes the surface energy of the base (substrate).

  5. Generation of nano-sized core-shell particles using a coaxial tri-capillary electrospray-template removal method.

    Science.gov (United States)

    Cao, Lihua; Luo, Jun; Tu, Kehua; Wang, Li-Qun; Jiang, Hongliang

    2014-03-01

    This study proposed a new strategy based on a coaxial tri-capillary electrospray-template removal process for producing nanosized polylactide-b-polyethylene glycol (PLA-PEG) particles with a core-shell structure. Microparticles with core-shell-corona structures were first fabricated by coaxial tri-capillary electrospray, and core-shell nanoparticles less than 200 nm in size were subsequently obtained by removing the PEG template from the core-shell-corona microparticles. The nanoparticle size could be modulated by adjusting the flow rate of corona fluid, and nanoparticles with an average diameter of 106±5 nm were obtained. The nanoparticles displayed excellent dispersion stability in aqueous media and very low cytotoxicity. Paclitaxel was used as a model drug to be incorporated into the core section of the nanoparticles. A drug loading content in the nanoparticles as high as 50.7±1.5 wt% with an encapsulation efficiency of greater than 70% could be achieved by simply increasing the feed rate of the drug solution. Paclitaxel exhibited sustained release from the nanoparticles for more than 40 days. The location of the paclitaxel in the nanoparticles, i.e., in the core or shell layer, did not have a significant effect on its release. Copyright © 2013 Elsevier B.V. All rights reserved.

  6. Migration mechanisms of a faceted grain boundary

    Science.gov (United States)

    Hadian, R.; Grabowski, B.; Finnis, M. W.; Neugebauer, J.

    2018-04-01

    We report molecular dynamics simulations and their analysis for a mixed tilt and twist grain boundary vicinal to the Σ 7 symmetric tilt boundary of the type {1 2 3 } in aluminum. When minimized in energy at 0 K , a grain boundary of this type exhibits nanofacets that contain kinks. We observe that at higher temperatures of migration simulations, given extended annealing times, it is energetically favorable for these nanofacets to coalesce into a large terrace-facet structure. Therefore, we initiate the simulations from such a structure and study as a function of applied driving force and temperature how the boundary migrates. We find the migration of a faceted boundary can be described in terms of the flow of steps. The migration is dominated at lower driving force by the collective motion of the steps incorporated in the facet, and at higher driving forces by the step detachment from the terrace-facet junction and propagation of steps across the terraces. The velocity of steps on terraces is faster than their velocity when incorporated in the facet, and very much faster than the velocity of the facet profile itself, which is almost stationary. A simple kinetic Monte Carlo model matches the broad kinematic features revealed by the molecular dynamics. Since the mechanisms seem likely to be very general on kinked grain-boundary planes, the step-flow description is a promising approach to more quantitative modeling of general grain boundaries.

  7. An agar diffusion study comparing the antimicrobial activity of Nanoseal with some other endodontic sealers.

    Science.gov (United States)

    Aal-Saraj, Ali Burak; Ariffin, Zaihan; Masudi, Sam'an Malik

    2012-08-01

    The aim of this study was to evaluate the antimicrobial activity of a new experimental nano-hydroxyapatite epoxy resin-based sealer (Nanoseal) with several other commercially available sealers; AH26, Tubliseal, Sealapex and Roekoseal against Enterococcus faecalis, Pseudomonas aeruginosa, Streptococcus mutans, Streptococcus sobrinus and Escherichia coli for up to 7 days. Agar diffusion was used in this study. Fifty Muller-Hinton agar plates were prepared and divided into five experimental groups (n = 10), for each micro-organism. Another 10 agar plates were used as positive and negative controls. Endodontic sealers were tested against each micro-organism. Inhibition zones produced were recorded. The results of this study showed that all test materials exhibited inhibition zones towards the tested micro-organisms for 7 days except for Roekoseal, which showed no inhibition zones. Nanoseal and AH26 exhibited similar zones of inhibition. Significant difference was found between Nanoseal and the other tested sealers (P < 0.001). © 2010 The Authors. Australian Endodontic Journal © 2010 Australian Society of Endodontology.

  8. Nano-Sized Fume Biogas Production from Food Waster Using Semi-Continuous Anaerobic Digester.

    Science.gov (United States)

    Park, Keum-Joo; Seo, Seong-Gyu; Kim, Eun-Sik; Islam, M N; Song, Hyung-Woon; Yoon, Hyung-Sun

    2018-02-01

    In this study, the nano-sized fume biogas production from food waste was investigated using lab scale semi-continuous stirred tank reactor (SCSTR) at 35 °C with 30d HRT and 30L working volume. The mesophilic digestion test was performed with three different feed materials (food waste) and food to microorganism (F/M) ratios (0.13, 0.34, and 0.27) in the same experiment. The results showed that the F/M ratios significantly affected the biogas production rate. The highest production rate was obtained at F/M ratio of 0.13. Nano-sized fume biogas produced in anaerobic digestion consists of 68.7% CH4, 31.2% CO2 and 30~200 nm particle. The average nano-sized fume biogas and methane production of digester were 29.96 L/Kg versus day-1 and 20.58 L/Kg versus day-1, respectively. The CH4 could be calculated as the heat energy 1.85 Kcal/Kg VS day-1. The digestion was operated without addition of chemicals or nutrients into the system.

  9. Germinated grains: a superior whole grain functional food?

    Science.gov (United States)

    Nelson, Kristina; Stojanovska, Lily; Vasiljevic, Todor; Mathai, Michael

    2013-06-01

    Grains are global dietary staples that when consumed in whole grain form, offer considerable health benefits compared with milled grain foods, including reduced body weight gain and reduced cardiovascular and diabetes risks. Dietary patterns, functional foods, and other lifestyle factors play a fundamental role in the development and management of epidemic lifestyle diseases that share risks of developing adverse metabolic outcomes, including hyperglycaemia, hypertension, dyslipidaemia, oxidative stress, and inflammation. Whole grains provide energy, nutrients, fibres, and bioactive compounds that may synergistically contribute to their protective effects. Despite their benefits, the intake of grains appears to be lower than recommended in many countries. Of emerging interest is the application of germination processes, which may significantly enhance the nutritional and bioactive content of grains, as well as improve palatability. Enhancing grain foods in a natural way using germination techniques may therefore offer a practical, natural, dietary intervention to increase the health benefits and acceptability of whole grains, with potentially widespread effects across populations in attenuating adverse lifestyle disease outcomes. Continuing to build on the growing body of in-vitro studies requires substantiation with extended in-vivo trials so that we may further develop our understanding of the potential of germinated grains as a functional food.

  10. An Optical Study of Ice Grain Boundaries

    Science.gov (United States)

    Thomson, Erik S.

    The equilibrium phase geometry and evolution of polycrystals underlies the nature of materials. In particular, grain boundaries dominate the total interfacial area within polycrystalline materials. Our experimental studies are motivated by the importance of the structure, evolution, and thermodynamic behavior of grain boundaries near bulk melting temperatures. Ice is singled out as a material of interest due to its geophysical importance and its advantageous optical properties. An experimental apparatus and light reflection technique is designed to measure grain boundary melting in ice bicrystals, in thermodynamic equilibrium The technique allows continuous monitoring of reflected light intensity from the grain boundary as the temperature and solutal composition are systematically varied. For each sample the individual crystal orientations are also measured. The type and concentration of impurity in the liquid is controlled and the temperature is continuously recorded and controlled over a range near the melting point. An optical model of the interface is developed in order to convert experimental reflection data into a physical measurement of the liquidity of the grain boundary. Solutions are found for reflection and transmission amplitude coefficients for waves propagating from an arbitrarily oriented uniaxial anisotropic material into an isotropic material. This general model is used to determine solutions for three layer, ice/water/ice, systems with crystals of arbitrary orientation, and is broadly applicable to layered materials. Experimental results show thicker grain boundary liquid layers than expected from classical colligative effects. A physically realistic model of intermolecular interactions succeeds in bounding the measurements. These measurements may have important implications for understanding a wide range of effects in polycrystalline materials. Likewise, the experimental techniques and optical theory may be applied to other systems of broad

  11. A Phase-Field Model for Grain Growth

    Energy Technology Data Exchange (ETDEWEB)

    Chen, L.Q.; Fan, D.N.; Tikare, V.

    1998-12-23

    A phase-field model for grain growth is briefly described. In this model, a poly-crystalline microstructure is represented by multiple structural order parameter fields whose temporal and spatial evolutions follow the time-dependent Ginzburg-Landau (TDGL) equations. Results from phase-field simulations of two-dimensional (2D) grain growth will be summarized and preliminary results on three-dimensional (3D) grain growth will be presented. The physical interpretation of the structural order parameter fields and the efficient and accurate semi-implicit Fourier spectral method for solving the TDGL equations will be briefly discussed.

  12. Star-grain rocket motor - nonsteady internal ballistics

    Energy Technology Data Exchange (ETDEWEB)

    Loncaric, S.; Greatrix, D.R.; Fawaz, Z. [Ryerson University, Dept. of Aerospace Engineering, Toronto (Canada)

    2004-01-01

    The nonsteady internal ballistics of a star-grain solid-propellant rocket motor are investigated through a numerical simulation model that incorporates both the internal flow and surrounding structure. The effects of structural vibration on burning rate augmentation and wave development in nonsteady operation are demonstrated. The amount of damping plays a role in influencing the predicted axial combustion instability symptoms of the motor. The variation in oscillation frequencies about a given star grain section periphery, and along the grain with different levels of burn-back, also influences the means by which the local acceleration drives the combustion and flow behaviour. (authors)

  13. Analyzing Replacement and Expansion of Grain Storage in Oklahoma

    OpenAIRE

    Basnet, Arjun; Kenkel, Philip L.

    2014-01-01

    A mixed integer programming model was developed using General Algebraic Modeling System (GAMS) to forecasts grain facility replacement in Oklahoma. The results indicated regionalization in grain storage with fewer but larger capacity structures. The results of sequential replacement overtime indicated that there would be some abandonment of facilities and some shift to larger capacity structures. Producer’s transportation cost did not increase with sequential replacement as expected because s...

  14. Ontogenetic analysis of individual olivine grains in ultramafic rocks

    Science.gov (United States)

    Brodskaya, R. L.; Bilskaya, I. V.; Markovsky, B. A.

    2010-12-01

    The morphology and internal structure of individual olivine grains from ultramafic rocks in the Guli and Gal'moenan dunite massifs differing in origin are considered. To restore the ontogeny of mineral aggregates, traces of elastic deformation retained in mineral grains have been used. Comparison of anatomy of olivine grains from these two massifs showed that the mechanism of accommodation of rocks to changing geological settings is expressed as the response of the mineral aggregate structure and variation in the anatomy of individual mineral grains. At the level of individual grains, this is annihilation of older defects and origination of younger dislocations; refinement of the crystal lattice; exsolution; formation and transformation of new mineral phases; and creep and migration of subboundaries within grains. At the aggregate level, this is rotation and migration creep of the internal boundaries of rock; formation of new boundaries of mineral intergrowths; reorientation of boundaries; and variation in their extent, density, and grain dimensions. The prehistory of massifs controls the manifestation and abundance of various elastic deformations and related types of recrystallization of olivine grain boundaries and subboundaries in aggregates. New conditions and accommodation of mineral aggregates to these conditions have instigated specific schemes of recrystallization, which bear information on the history of rocks and their massifs.

  15. Grain refinement process in commercial 7075-T6 aluminum alloy under friction stir welding and superplasticity

    Energy Technology Data Exchange (ETDEWEB)

    Sakuma, T.; Goloborodko, A.; Ito, T. [Research Center for Superplasticity, Faculty of Engineering, Ibaraki University, Hitachi, Ibaraki (Japan); Itoh, G. [Department of Mechanical Engineering, Faculty of Engineering, Ibaraki University (Japan); Motohashi, Y.

    2008-04-15

    Process of grain refinement taking place during friction stir welding of a 7075-T6 Al alloy was studied. It appears that the fine-grained structure is formed by the grain fragmentation process, i.e., grains split by the development of internal boundaries with medium to high angle misorientations, mainly caused by dynamic recrystallization, followed by the evolution of new fine grains. The fine-grained alloy shows superplasticity at around 673K at strain-rate of 1 x 10{sup -3}s{sup -1}. (Abstract Copyright [2008], Wiley Periodicals, Inc.)

  16. Grain boundary melting in ice

    OpenAIRE

    Thomson, E. S.; Hansen-Goos, Hendrik; Wilen, L. A.; Wettlaufer, J. S.

    2012-01-01

    We describe an optical scattering study of grain boundary premelting in water ice. Ubiquitous long ranged attractive polarization forces act to suppress grain boundary melting whereas repulsive forces originating in screened Coulomb interactions and classical colligative effects enhance it. The liquid enhancing effects can be manipulated by adding dopant ions to the system. For all measured grain boundaries this leads to increasing premelted film thickness with increasing electrolyte concentr...

  17. Strategy for chemotherapeutic delivery using a nanosized porous metal-organic framework with a central composite design

    Directory of Open Access Journals (Sweden)

    Li YP

    2017-02-01

    Full Text Available Yingpeng Li,1 Xiuyan Li,2 Qingxia Guan,2 Chunjing Zhang,2 Ting Xu,2 Yujing Dong,2 Xinyu Bai,2 Weiping Zhang3 1College of Pharmacy, Tianjin University of Traditional Chinese Medicine, Tianjin, 2College of Pharmacy, Heilongjiang University of Traditional Chinese Medicine, Harbin, People’s Republic of China; 3Pope John XXIII High School, Everett, MA, USA Background: Enhancing drug delivery is an ongoing endeavor in pharmaceutics, especially when the efficacy of chemotherapy for cancer is concerned. In this study, we prepared and evaluated nanosized HKUST-1 (nanoHKUST-1, nanosized metal-organic drug delivery framework, loaded with 5-fluorouracil (5-FU for potential use in cancer treatment.Materials and methods: NanoHKUST-1 was prepared by reacting copper (II acetate [Cu(OAc2] and benzene-1,3,5-tricarboxylic acid (H3BTC with benzoic acid (C6H5COOH at room temperature (23.7°C±2.4°C. A central composite design was used to optimize 5-FU-loaded nanoHKUST-1. Contact time, ethanol concentration, and 5-FU:material ratios were the independent variables, and the entrapment efficiency of 5-FU was the response parameter measured. Powder X-ray diffraction, scanning electron microscopy (SEM, transmission electron microscopy (TEM, and nitrogen adsorption were used to determine the morphology of nanoHKUST-1. In addition, 5-FU release studies were conducted, and the in vitro cytotoxicity was evaluated.Results: Entrapment efficiency and drug loading were 9.96% and 40.22%, respectively, while the small-angle X-ray diffraction patterns confirmed a regular porous structure. The SEM and TEM images of the nanoHKUST-1 confirmed the presence of round particles (diameter: approximately 100 nm and regular polygon arrays of mesoporous channels of approximately 2–5 nm. The half-maximal lethal concentration (LC50 of the 5-FU-loaded nanoHKUST-1 was approximately 10 µg/mL.Conclusion: The results indicated that nanoHKUST-1 is a potential vector worth developing as a

  18. Two-Step Sintering Behavior of Sol-Gel Derived Dense and Submicron-Grained YIG Ceramics

    Science.gov (United States)

    Chen, Ruoyuan; Zhou, Jijun; Zheng, Liang; Zheng, Hui; Zheng, Peng; Ying, Zhihua; Deng, Jiangxia

    2018-04-01

    In this work, dense and submicron-grain yttrium iron garnet (YIG, Y3Fe5O12) ceramics were fabricated by a two-step sintering (TSS) method using nano-size YIG powder prepared by a citrate sol-gel method. The densification, microstructure, magnetic properties and ferromagnetic resonance (FMR) linewidth of the ceramics were investigated. The sample prepared at 1300°C in T 1, 1225°C in T 2 and 18 h holding time has a density higher than 98% of the theoretical value and exhibits a homogeneous microstructure with fine grain size (0.975 μm). In addition, the saturation magnetization ( M S) of this sample reaches 27.18 emu/g. High density and small grain size can also achieve small FMR linewidth. Consequently, these results show that the sol-gel process combined with the TSS process can effectively suppress grain-boundary migration while maintaining active grain-boundary diffusion to obtain dense and fine-grained YIG ceramics with appropriate magnetic properties.

  19. Influence of Grain Growth Inhibitors and Powder Size on the Properties of Ultrafine and Nanostructured Cemented Carbides Sintered in Hydrogen

    Directory of Open Access Journals (Sweden)

    Tamara Aleksandrov Fabijanić

    2016-08-01

    Full Text Available The influence of grain growth inhibitors and powder size on the microstructure and mechanical properties of ultrafine and nanostructured cemented carbides was researched. Three different WC powders, with an addition of different type and content of grain growth inhibitors GGIs, VC and Cr3C2 and with dBET grain sizes in the range from 95 to 150 nm were selected as starting powders. Four different mixtures with 6 and 9 wt. % Co were prepared. The consolidated samples are characterized by different microstructural and mechanical properties with respect to the characteristics of starting powders. Increased sintering temperatures led to microstructural irregularities in the form of a discontinuous WC growth, carbide agglomerates and abnormal grain growth as a consequence of coalescence via grain boundary elimination. The addition of 0.45% Cr3C2 contributed to microstructure homogeneity, reduced discontinuous and continuous grain growth, and increased Vickers hardness by approximately 70 HV and fracture toughness by approximately 0.15 MN/m3/2. The reduction of the starting powder to a real nanosize of 95 nm resulted in lower densities, and significant hardness increase, with a simultaneously small increase in fracture toughness. The consolidation of real nanopowders (dBET < 100 nm solely by conventional sintering in hydrogen without isostatic pressing is not preferred.

  20. Modelling of grain refinement driven by negative grain boundary energy

    Czech Academy of Sciences Publication Activity Database

    Fischer, F. D.; Zickler, G. A.; Svoboda, Jiří

    2017-01-01

    Roč. 97, č. 23 (2017), s. 1963-1977 ISSN 1478-6435 R&D Projects: GA ČR(CZ) GA15-06390S Institutional support: RVO:68081723 Keywords : grain refinement * grain nucleation * distribution concept * jump on distribution function Subject RIV: BJ - Thermodynamics OBOR OECD: Thermodynamics Impact factor: 1.505, year: 2016