Interfacial exchange coupling and magnetization reversal in perpendicular [Co/Ni]N/TbCo composite structures.

Science.gov (United States)

Tang, M H; Zhang, Zongzhi; Tian, S Y; Wang, J; Ma, B; Jin, Q Y

2015-06-15

Interfacial exchange coupling and magnetization reversal characteristics in the perpendicular heterostructures consisting of an amorphous ferrimagnetic (FI) TbxCo(100-x) alloy layer exchange-coupled with a ferromagnetic (FM) [Co/Ni]N multilayer have been investigated. As compared with pure TbxCo(100-x) alloy, the magnetization compensation composition of the heterostructures shift to a higher Tb content, implying Co/Ni also serves to compensate the Tb moment in TbCo layer. The net magnetization switching field Hc⊥ and interlayer interfacial coupling field Hex, are not only sensitive to the magnetization and thickness of the switched TbxCo(100-x) or [Co/Ni]N layer, but also to the perpendicular magnetic anisotropy strength of the pinning layer. By tuning the layer structure we achieve simultaneously both large Hc⊥ = 1.31 T and Hex = 2.19 T. These results, in addition to the fundamental interest, are important to understanding of the interfacial coupling interaction in the FM/FI heterostructures, which could offer the guiding of potential applications in heat-assisted magnetic recording or all-optical switching recording technique.

The role of interfacial metal silicates on the magnetism in FeCo/SiO{sub 2} and Fe{sub 49%}Co{sub 49%}V{sub 2%}/SiO{sub 2} core/shell nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Desautels, R. D., E-mail: rddesautels@physics.umanitoba.ca [Department of Physics and Astronomy, University of Manitoba, Winnipeg, Manitoba R3T 2N2 (Canada); Toyota Research Institute of North America, Ann Arbor, Michigan 48169 (United States); Freeland, J. W. [Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Rowe, M. P. [Toyota Research Institute of North America, Ann Arbor, Michigan 48169 (United States); Lierop, J. van [Department of Physics and Astronomy, University of Manitoba, Winnipeg, Manitoba R3T 2N2 (Canada)

2015-05-07

We have investigated the role of spontaneously formed interfacial metal silicates on the magnetism of FeCo/SiO{sub 2} and Fe{sub 49%}Co{sub 49%}V{sub 2%}/SiO{sub 2} core/shell nanoparticles. Element specific x-ray absorption and photoelectron spectroscopy experiments have identified the characteristic spectral features of metallic iron and cobalt from within the nanoparticle core. In addition, metal silicates of iron, cobalt, and vanadium were found to have formed spontaneously at the interface between the nanoparticle core and silica shell. X-ray magnetic circular dichroism experiments indicated that the elemental magnetism was a result of metallic iron and cobalt with small components from the iron, cobalt, and vanadium silicates. Magnetometry experiments have shown that there was no exchange bias loop shift in the FeCo nanoparticles; however, exchange bias from antiferromagnetic vanadium oxide was measured in the V-doped nanoparticles. These results showed clearly that the interfacial metal silicates played a significant role in the magnetism of these core/shell nanoparticles, and that the vanadium percolated from the FeCo-cores into the SiO{sub 2}-based interfacial shell.

Effect of interfacial layers on dielectric properties in very thin SrBi2Ta2O9 capacitors

International Nuclear Information System (INIS)

Moon, Bum-Ki; Isobe, Chiharu; Hironaka, Katsuyuki; Hishikawa, Shinichi

2001-01-01

The effect of interfacial layers on the dielectric properties in very thin SrBi 2 Ta 2 O 9 (SBT) capacitors has been investigated using static measurements. Total permittivity (ε t ) decreased as the film thickness was reduced in both Pt/SBT/Pt and Ir/SBT/Pt capacitors. The contribution of the interfacial capacitance (C int ) and bulk capacitance to the total capacitance indicates that C int of the Ir/SBT/Pt structure was lower than that of the Pt/SBT/Pt structure, while the bulk permittivity (ε b ) was essentially the same. The dispersion of all capacitors followed the power law, while the Ir/SBT/Pt capacitor showed a larger dispersion of C int . These results suggest that the Pt/SBT/Pt capacitor is preferred for obtaining the high performance with less effect of the interfacial layers on the dielectric properties. [copyright] 2001 American Institute of Physics

Anomalous Hall effect assisted by interfacial chemical reaction in perpendicular Co/Pt multilayers

Science.gov (United States)

Liu, Qian; Jiang, Shaolong; Teng, Jiao

2018-05-01

To uncover the underlying mechanism of Mg effect on the improved anomalous Hall effect (AHE) of perpendicular [Pt/Co]3/Mg/HfO2 multilayers, the X-ray photoelectron spectroscopy analysis has been carried out. It is found that Mg interlayer at the Co/HfO2 interface could prevent the Co oxidation to some extent via interfacial chemical reaction. As a result, A large anomalous Hall resistivity (ρAH) is obtained in perpendicular [Pt/Co]3/Mg/HfO2 multilayers, with a maximum ρAH of 3.02 μΩ cm, which is 59% larger than that in Co/Pt multilayers without Mg insertion. This effective modification of the AHE based on interfacial chemical reaction provides a promising pathway for spintronic applications.

Interfacial stability of CoSi2/Si structures grown by molecular beam epitaxy

Science.gov (United States)

George, T.; Fathauer, R. W.

1992-01-01

The stability of CoSi2/Si interfaces was examined in this study using columnar silicide structures grown on (111) Si substrates. In the first set of experiments, Co and Si were codeposited using MBE at 800 C and the resulting columnar silicide layer was capped by epitaxial Si. Deposition of Co on the surface of the Si capping layer at 800 C results in the growth of the buried silicide columns. The buried columns grow by subsurface diffusion of the deposited Co, suppressing the formation of surface islands of CoSi2. The column sidewalls appear to be less stable than the top and bottom interfaces, resulting in preferential lateral growth and ultimately in the coalescence of the columns to form a continuous buried CoSi2 layer. In the second set of experiments, annealing of a 250 nm-thick buried columnar layer at 1000 C under a 100 nm-thick Si capping layer results in the formation of a surface layer of CoSi2 with a reduction in the sizes of the CoSi2 columns. For a sample having a thicker Si capping layer the annealing leads to Ostwald ripening producing buried equiaxed columns. The high CoSi2/Si interfacial strain could provide the driving force for the observed behavior of the buried columns under high-temperature annealing.

Preferential orientation of magnetization and interfacial disorder in Co/Au multilayers

Energy Technology Data Exchange (ETDEWEB)

Quispe-Marcatoma, J., E-mail: justinianoqm@gmail.com [Centro Brasileiro de Pesquisas Físicas, Rio de Janeiro 22290-180 (Brazil); Facultad de Ciencias Físicas, Universidad Nacional Mayor de San Marcos, P.O. Box 14–0149, Lima 14, Perú (Peru); Pandey, B. [Centro Brasileiro de Pesquisas Físicas, Rio de Janeiro 22290-180 (Brazil); Alayo, W. [Departamento de Física, Universidade Federal de Pelotas, Campus Universitário, 96010-900 Pelotas, RS (Brazil); Sousa, M.A. de; Pelegrini, F. [Instituto de Física, Universidade Federal de Goiás, Goiânia 74001-970 (Brazil); Saitovitch, E. Baggio [Centro Brasileiro de Pesquisas Físicas, Rio de Janeiro 22290-180 (Brazil)

2013-10-15

Two families of Co/Au multilayer films with different interlayer magnetostatic coupling were grown by the DC magnetron sputtering technique. The structure of these films was analyzed by X-ray diffraction (XRD), and the magnetic properties by vibrating sample magnetometer (VSM) and ferromagnetic resonance (FMR) spectroscopy. All these techniques give complementary information about the structure of the multilayers and the magnetization direction as a function of thickness of the Co layers. The structural analysis shows a decrease of the interfacial disorder for increasing Co layer thickness in both groups of samples. This behavior has been correlated with a transition of the magnetization direction from perpendicular to parallel to the films plane. Thin Co layer samples gave high remnant magnetization with very low saturation field while thick Co layer samples showed low remnant magnetization with high value of saturation field. In the FMR study, the spectra showed two resonance modes, which were associated to the internal and interfacial Co atoms. Volume (K{sub v}) and surface (K{sub s}) anisotropy constants were deduced from the FMR experiments and are in good agreement with the reported values for Co/Au multilayers. - Highlights: • We find a competition between the magnetostatic coupling and magnetic anisotropy. • We find two resonant modes associated to different environments of Co atoms. • The main mode shows perpendicular magnetic anisotropy for samples with t{sub Co}<10 Å. • The secondary mode shows in-plane anisotropy for samples with t{sub Co}<10 Å.

Interfacial and transport properties of nanoconstrained inorganic and organic materials

Science.gov (United States)

Kocherlakota, Lakshmi Suhasini

Nanoscale constraints impact the material properties of both organic and inorganic systems. The systems specifically studied here are (i) nanoconstrained polymeric systems, poly(l-trimethylsilyl-1-propyne) (PTMSP) and poly(ethylene oxide) (PEO) relevant to gas separation membranes (ii) Zwitterionic polymers poly(sulfobetaine methacrylate)(pSBMA), poly(carboxybetaine acrylamide) (pCBAA), and poly(oligo(ethylene glycol) methyl methacrylate) (PEGMA) brushes critical for reducing bio-fouling (iii) Surface properties of N-layer graphene sheets. Interfacial constraints in ultrathin poly(l-trimethylsilyl-1-propyne) (PTMSP) membranes yielded gas permeabilities and CO2/helium selectivities that exceed bulk PTMSP membrane transport properties by up to three-fold for membranes of submicrometer thickness. Indicative of a free volume increase, a molecular energetic mobility analysis (involving intrinsic friction analysis) revealed enhanced methyl side group mobilities in thin PTMSP membranes with maximum permeation, compared to bulk films. Aging studies conducted over the timescales relevant to the conducted experiments signify that the free volume states in the thin film membranes are highly unstable in the presence of sorbing gases such as CO2. To maintain this high free volume configuration of polymer while improving the temporal stability an "inverse" architecture to conventional polymer nanocomposites was investigated, in which the polymer phase of PTMSP and PEO were interfacially and dimensionally constrained in nanoporous anodic aluminum oxide (AAO) membranes. While with this architecture the benefits of nanocomposite and ultrathin film membranes of PTMSP could be reproduced and improved upon, also the temporal stability could be enhanced substantially. The PEO-AAO nanocomposite membranes also revealed improved gas selectivity properties of CO2 over helium. In the thermal transition studies of zwitterionic pSBMA brushes a reversible critical transition temperature of 60

Monte Carlo studies on the interfacial properties and interfacial structures of ternary symmetric blends with gradient copolymers.

Science.gov (United States)

Sun, Dachuan; Guo, Hongxia

2012-08-09

Using Monte Carlo simulation methods, the effects of the comonomer sequence distribution on the interfacial properties (including interfacial tension, interfacial thickness, saturated interfacial area per copolymer, and bending modulus) and interfacial structures (including chain conformations and comonomer distributions of the simulated copolymers at the interfaces) of a ternary symmetric blend containing two immiscible homopolymers and one gradient copolymer are investigated. We find that copolymers with a larger composition gradient width have a broader comonomer distribution along the interface normal, and hence more pronouncedly enlarge the interfacial thickness and reduce the interfacial tension. Furthermore, the counteraction effect, which arises from the tendency of heterogeneous segments in gradient copolymers to phase separate and enter their miscible phases to reduce the local enthalpy, decreases the stretching of copolymers along the interface normal direction. As a result, copolymers with a larger width of gradient composition can occupy a larger interfacial area and form softer monolayers at saturation and are more efficient in facilitating the formation of bicontinuous microemulsions. Additionally, chain length ratio, segregation strength, and interactions between homopolymers and copolymers can alter the interfacial character of gradient copolymers. There exists a strong coupling between the comonomer sequence distribution, chain conformation, and interfacial properties. Especially, bending modulus is mainly determined by the complicated interplay of interfacial copolymer density and interfacial chain conformation.

Separation performance and interfacial properties of nanocomposite reverse osmosis membranes

KAUST Repository

Pendergast, MaryTheresa M.; Ghosh, Asim K.; Hoek, E.M.V.

2013-01-01

Four different types of nanocomposite reverse osmosis (RO) membranes were formed by interfacial polymerization of either polyamide (PA) or zeolite A-polyamide nanocomposite (ZA-PA) thin films over either pure polysulfone (PSf) or zeolite A-polysulfone nanocomposite (ZA-PSf) support membranes cast by wet phase inversion. All three nanocomposite membranes exhibited superior separation performance and interfacial properties relative to hand-cast TFC analogs including: (1) smoother, more hydrophilic surfaces (2) higher water permeability and salt rejection, and (3) improved resistance to physical compaction. Less compaction occurred for membranes with nanoparticles embedded in interfacially polymerized coating films, which adds further proof that flux decline associated with physical compaction is influenced by coating film properties in addition to support membrane properties. The new classes of nanocomposite membrane materials continue to offer promise of further improved RO membranes for use in desalination and advanced water purification. © 2011 Elsevier B.V.

Effect of Uncertainties in CO2 Property Databases on the S-CO2 Compressor Performance

International Nuclear Information System (INIS)

Lee, Je Kyoung; Lee, Jeong Ik; Ahn, Yoonhan; Kim, Seong Gu; Cha, Je Eun

2013-01-01

Various S-CO 2 Brayton cycle experiment facilities are on the state of construction or operation for demonstration of the technology. However, during the data analysis, S-CO 2 property databases are widely used to predict the performance and characteristics of S-CO 2 Brayton cycle. Thus, a reliable property database is very important before any experiment data analyses or calculation. In this paper, deviation of two different property databases which are widely used for the data analysis will be identified by using three selected properties for comparison, C p , density and enthalpy. Furthermore, effect of above mentioned deviation on the analysis of test data will be briefly discussed. From this deviation, results of the test data analysis can have critical error. As the S-CO 2 Brayton cycle researcher knows, CO 2 near the critical point has dramatic change on thermodynamic properties. Thus, it is true that a potential error source of property prediction exists in CO 2 properties near the critical point. During an experiment data analysis with the S-CO 2 Brayton cycle experiment facility, thermodynamic properties are always involved to predict the component performance and characteristics. Thus, construction or defining of precise CO 2 property database should be carried out to develop Korean S-CO 2 Brayton cycle technology

Interfacial effect on physical properties of composite media: Interfacial volume fraction with non-spherical hard-core-soft-shell-structured particles.

Science.gov (United States)

Xu, Wenxiang; Duan, Qinglin; Ma, Huaifa; Chen, Wen; Chen, Huisu

2015-11-02

Interfaces are known to be crucial in a variety of fields and the interfacial volume fraction dramatically affects physical properties of composite media. However, it is an open problem with great significance how to determine the interfacial property in composite media with inclusions of complex geometry. By the stereological theory and the nearest-surface distribution functions, we first propose a theoretical framework to symmetrically present the interfacial volume fraction. In order to verify the interesting generalization, we simulate three-phase composite media by employing hard-core-soft-shell structures composed of hard mono-/polydisperse non-spherical particles, soft interfaces, and matrix. We numerically derive the interfacial volume fraction by a Monte Carlo integration scheme. With the theoretical and numerical results, we find that the interfacial volume fraction is strongly dependent on the so-called geometric size factor and sphericity characterizing the geometric shape in spite of anisotropic particle types. As a significant interfacial property, the present theoretical contribution can be further drawn into predicting the effective transport properties of composite materials.

Electronic and magnetic properties of TTF and TCNQ covered Co thin films

Energy Technology Data Exchange (ETDEWEB)

Geijn, Elmer van, E-mail: e.vangeijn@utwente.nl; Wang, Kai; Jong, Michel P. de [NanoElectronics Group, MESA+ Institute for Nanotechnology, University of Twente, P.O. Box 217, 7500 AE Enschede (Netherlands)

2016-05-07

Interfacial effects like orbital hybridization and charge transfer strongly influence the transfer of spins from ferromagnetic metals to organic semiconductors and can lead to the formation of interfacial states with distinct magnetic properties. The changes in the electronic and magnetic properties of a thin Co film upon adsorption of a layer of either the molecular organic electron donor tetrathiafulvalene (TTF) or the acceptor tetracyanoquinodimethane (TCNQ) have been investigated by X-ray absorption spectroscopy and X-ray magnetic circular dichroism using synchrotron radiation. Clear differences between the spectra of the adsorbed molecules and the neutral molecules show the hybridization of the molecular orbitals with the Co interface. Deposition of both organic materials leads to a small increase of the ratio of the orbital magnetic moment to the spin magnetic moment of the Co atoms at the interface. The main effect of overlayer deposition is a modification of the magnetic hysteresis of the Co film: The TCNQ slightly reduces the coercivity of the Co, while the TTF increases the coercivity by a factor of ∼1.5. These complementary effects of either a molecular organic electron donor or acceptor on the interfacial properties of a metal ferromagnetic thin film are a promising result for the controlled modification of the magnetic structure of hybrid interfaces.

Investigation of interfacial resistance between LiCoO{sub 2} cathode and LiPON electrolyte in the thin film battery

Energy Technology Data Exchange (ETDEWEB)

Jeong, Eunkyung; Hong, Chan; Tak, Yongsug [Department of Chemical Engineering, Inha University, Inchon 402-751 (Korea, Republic of); Nam, Sang Cheol [Nuricell Inc., Jungrang-Ku, Seoul 131-220 (Korea, Republic of); Cho, Sungbaek [Agency for Defense Development, P.O. Box 35, Daejeon (Korea, Republic of)

2006-09-13

All solid-state thin film battery was prepared with conventional sputtering technologies. Low conductivity of lithium phosphorus oxynitride (LiPON) electrolyte and higher resistance at the interface of LiCoO{sub 2}/LiPON was crucial for the development of thin film battery. Presence of thermally treated Al{sub 2}O{sub 3} thin film at the interface of LiCoO{sub 2}/LiPON decreased the interfacial resistance and increased the discharge capacity with the better cycling behaviors. Surface analysis and electrochemical impedance measurement indicate the formation of solid solution LiCo{sub 1-y}Al{sub y}O{sub 2} at the interface of LiCoO{sub 2}/LiPON. (author)

First-principles calculations on Mg/Al2CO interfaces

International Nuclear Information System (INIS)

Wang, F.; Li, K.; Zhou, N.G.

2013-01-01

The electronic structure, work of adhesion, and interfacial energy of the Mg(0 0 0 2)/Al 2 CO(0 0 0 1) interface were studied with the first-principles calculations to clarify the heterogeneous nucleation potential of Al 2 CO particles in Mg melt. AlO-terminated Al 2 CO(0 0 0 1) slabs with seven atomic layers were adopted for interfacial model geometries. Results show that the “Over O” stacking interface is more stable than the “Over Al” stacking interface due to the larger interfacial adhesion and stronger mixed ionic/metallic bond formed across the interface. The calculated interfacial energies of Mg/Al 2 CO depend on the value of Δμ Al + Δμ C , proving Al 2 CO particles can exist stably in Mg–Al alloys melt and become effective nucleation substrate for α-Mg grain under certain conditions. The above calculation and corresponding analysis provide strong theoretical support to the Al 2 CO nucleus hypothesis from interfacial atomic structure and atomic bonding energy considerations.

Ultrasonic Guided Waves in Piezoelectric Layered Composite with Different Interfacial Properties

Directory of Open Access Journals (Sweden)

Xiao Chen

2011-01-01

Full Text Available Combining the propagation model of guided waves in a multilayered piezoelectric composite with the interfacial model of rigid, slip, and weak interfaces, the generalized dispersion characteristic equations of guided waves propagating in a piezoelectric layered composite with different interfacial properties are derived. The effects of the slip, weak, and delamination interfaces in different depths on the dispersion properties of the lowest-order mode ultrasonic guided wave are analyzed. The theory would be used to characterize the interfacial properties of piezoelectric layered composite nondestructively.

Improving Multi-Functional Properties in Polymer Based Nano Composites by Interfacial

Science.gov (United States)

Tajaddod, Navid

Polymer nanocomposites (PNCs) have become an area of increasing interest for study in the field of polymer science and technology since the rise of nanotechnology research. Despite the significant amount of progress being made towards producing high quality PNC materials, improvement in the mechanical, electrical, thermal and other functional properties still remain a challenge. To date, these properties are only a fraction of the expected theoretical values predicted for these materials. Development of interfacial regions between the filler and matrix within the composite has been found to be an important focus in terms of processing. Proper interfacial control and development may ensure excellent interaction and property transfer between the filler and polymer matrix in addition to improvement of multi-functional properties of PNCs. The property-structure importance for the existence of the interfacial and interphase region within PNCs is discussed in this thesis work. Two specific PNC systems are selected for study as part of this dissertation in order to understand the effect of interfacial region development on influencing multi-functional property trends. Polyethylene (PE)/boron nitride (BN) and polyacrylonitrile (PAN)/carbon nanotube (CNT) composites were selected to investigate their mechanical performance and thermal and electrical conductivity properties, respectively. For these systems it was found that the interfacial region structure is directly related to the enhancement of the subsequent multi-functional properties.

Magnetoresistance in Hybrid Pt/CoFe2O4 Bilayers Controlled by Competing Spin Accumulation and Interfacial Chemical Reconstruction.

Science.gov (United States)

Vasili, Hari Babu; Gamino, Matheus; Gàzquez, Jaume; Sánchez, Florencio; Valvidares, Manuel; Gargiani, Pierluigi; Pellegrin, Eric; Fontcuberta, Josep

2018-04-11

Pure spin currents have potential for use in energy-friendly spintronics. They can be generated by a flow of charge along a nonmagnetic metal with large spin-orbit coupling. This produces a spin accumulation at the surfaces, controllable by the magnetization of an adjacent ferromagnetic layer. Paramagnetic metals typically used are close to ferromagnetic instability and thus magnetic proximity effects can contribute to the observed angular-dependent magnetoresistance (ADMR). As interface phenomena govern the spin conductance across the metal/ferromagnetic-insulator heterostructures, unraveling these distinct contributions is pivotal for a full understanding of spin current conductance. Here, we report X-ray absorption and magnetic circular dichroism (XMCD) at Pt M and (Co, Fe) L absorption edges and atomically resolved energy electron loss spectroscopy (EELS) data of Pt/CoFe 2 O 4 bilayers, where CoFe 2 O 4 layers have been capped by Pt grown at different temperatures. It was found that the ADMR differs dramatically, dominated either by spin Hall magnetoresistance (SMR) associated with the spin Hall effect or by anisotropic magnetoresistance. The XMCD and EELS data indicate that the Pt layer grown at room temperature does not display any magnetic moment, whereas when grown at a higher temperature, it becomes magnetic due to interfacial Pt-(Co, Fe) alloying. These results enable differentiation of spin accumulation from interfacial chemical reconstructions and tailoring of the angular-dependent magnetoresistance.

Temperature dependence of the interfacial magnetic anisotropy in W/CoFeB/MgO

Directory of Open Access Journals (Sweden)

Kyoung-Min Lee

2017-06-01

Full Text Available The interfacial perpendicular magnetic anisotropy in W/CoFeB (1.2 ∼ 3 nm/MgO thin film structures is strongly dependent on temperature, and is significantly reduced at high temperature. The interfacial magnetic anisotropy is generally proportional to the third power of magnetization, but an additional factor due to thermal expansion is required to explain the temperature dependence of the magnetic anisotropy of ultrathin CoFeB films. The reduction of the magnetic anisotropy is more prominent for the thinner films; as the temperature increases from 300 K to 400 K, the anisotropy is reduced ∼50% for the 1.2-nm-thick CoFeB, whereas the anisotropy is reduced ∼30% for the 1.7-nm-thick CoFeB. Such a substantial reduction of magnetic anisotropy at high temperature is problematic for data retention when incorporating W/CoFeB/MgO thin film structures into magneto-resistive random access memory devices. Alternative magnetic materials and structures are required to maintain large magnetic anisotropy at elevated temperatures.

Dentin-cement Interfacial Interaction

Science.gov (United States)

Atmeh, A.R.; Chong, E.Z.; Richard, G.; Festy, F.; Watson, T.F.

2012-01-01

The interfacial properties of a new calcium-silicate-based coronal restorative material (Biodentine™) and a glass-ionomer cement (GIC) with dentin have been studied by confocal laser scanning microscopy (CLSM), scanning electron microscopy (SEM), micro-Raman spectroscopy, and two-photon auto-fluorescence and second-harmonic-generation (SHG) imaging. Results indicate the formation of tag-like structures alongside an interfacial layer called the “mineral infiltration zone”, where the alkaline caustic effect of the calcium silicate cement’s hydration products degrades the collagenous component of the interfacial dentin. This degradation leads to the formation of a porous structure which facilitates the permeation of high concentrations of Ca2+, OH-, and CO32- ions, leading to increased mineralization in this region. Comparison of the dentin-restorative interfaces shows that there is a dentin-mineral infiltration with the Biodentine, whereas polyacrylic and tartaric acids and their salts characterize the penetration of the GIC. A new type of interfacial interaction, “the mineral infiltration zone”, is suggested for these calcium-silicate-based cements. PMID:22436906

Phase Equilibria of the Ternary Sn-Pb-Co System at 250°C and Interfacial Reactions of Co with Sn-Pb Alloys

Science.gov (United States)

Wang, Chao-hong; Kuo, Chun-yi; Yang, Nian-cih

2015-11-01

The isothermal section of the ternary Sn-Pb-Co system at 250°C was experimentally determined through a series of the equilibrated Sn-Pb-Co alloys of various compositions. The equilibrium phases were identified on the basis of compositional analysis. For the Sn-Co intermetallic compounds (IMCs), CoSn3, CoSn2, CoSn and Co3Sn2, the Pb solubility was very limited. There exist five tie-triangle regions. The Co-Pb system involves one monotectic reaction, so the phase separation of liquid alloys near the Co-Pb side occurred prior to solidification. The immiscibility field was also determined. Additionally, interfacial reactions between Co and Sn-Pb alloys were conducted. The reaction phase for the Sn-48 at.%Pb and Sn-58 at.%Pb at 250°C was CoSn3 and CoSn2, respectively. Both of them were simultaneously formed in the Sn-53 at.%Pb/Co. The formed IMCs were closely associated to the phase equilibria relationship of the liquid-CoSn3-CoSn2 tie-triangle. Furthermore, with increasing temperatures, the phase formed in equilibrium with Sn-37 wt.%Pb was found to transit from CoSn3 to CoSn2 at 275°C. We propose a simple method of examining the phase transition temperature in the interfacial reactions to determine the boundaries of the liquid-CoSn3-CoSn2 tie-triangles at different temperatures.

Liquid-vapor equilibrium and interfacial properties of square wells in two dimensions

Science.gov (United States)

Armas-Pérez, Julio C.; Quintana-H, Jacqueline; Chapela, Gustavo A.

2013-01-01

Liquid-vapor coexistence and interfacial properties of square wells in two dimensions are calculated. Orthobaric densities, vapor pressures, surface tensions, and interfacial thicknesses are reported. Results are presented for a series of potential widths λ* = 1.4, 1.5, 2, 2.5, 3, 3.5, 4, 4.5, and 5, where λ* is given in units of the hard core diameter σ. Critical and triple points are explored. No critical point was found for λ* Armas-Pérez et al. [unpublished] as a hexatic phase transition. It is located at reduced temperatures T* = 0.47 and 0.35 for λ* = 1.4 and 1.5, respectively. Properties such as the surface tension, vapor pressure, and interfacial thickness do not present any discontinuity at these points. This amorphous solid branch does not follow the corresponding state principle, which is only applied to liquids and gases.

Intermetallic Growth and Interfacial Properties of the Grain Refiners in Al Alloys

Science.gov (United States)

Li, Chunmei; Cheng, Nanpu; Chen, Zhiqian; Xie, Zhongjing; Hui, Liangliang

2018-01-01

Al3TM(TM = Ti, Zr, Hf, Sc) particles acting as effective grain refiners for Al alloys have been receiving extensive attention these days. In order to judge their nucleation behaviors, first-principles calculations are used to investigate their intermetallic and interfacial properties. Based on energy analysis, Al3Zr and Al3Sc are more suitable for use as grain refiners than the other two intermetallic compounds. Interfacial properties show that Al/Al3TM(TM = Ti, Zr, Hf, Sc) interfaces in I-ter interfacial mode exhibit better interface wetting effects due to larger Griffith rupture work and a smaller interface energy. Among these, Al/Al3Sc achieves the lowest interfacial energy, which shows that Sc atoms should get priority for occupying interfacial sites. Additionally, Sc-doped Al/Al3(Zr, Sc) interfacial properties show that Sc can effectively improve the Al/Al3(Zr, Sc) binding strength with the Al matrix. By combining the characteristics of interfaces with the properties of intermetallics, the core-shell structure with Al3Zr-core or Al3Zr(Sc1-1)-core encircled with an Sc-rich shell forms. PMID:29677155

Interfacial properties of chitosan/sodium dodecyl sulfate complexes

Directory of Open Access Journals (Sweden)

Milinković Jelena R.

2017-01-01

Full Text Available Contemporary formulations of cosmetic and pharmaceutical emulsions may be achieved by using combined polymer/surfactant system, which can form complexes with different structure and physicochemical properties. Such complexation can lead to additional stabilization of the emulsion products. For these reasons, the main goal of this study was to investigate the interfacial properties of chitosan/sodium dodecyl sulfate complexes. In order to understand the stabilization mechanism, the interface of the oil/water systems that contained mixtures of chitosan and sodium dodecyl sulfate, was studied by measuring the interfacial tension. Considering the fact that the properties of the oil phase has influence on the adsorption process, three different types of oil were investigated: medium-chain triglycerides (semi-synthetic oil, paraffin oil (mineral oil and natural oil obtained from the grape seed. The surface tension measurements at the oil/water interface, for chitosan water solutions, indicate a poor surface activity of this biopolymer. Addition of sodium dodecyl sulfate to chitosan solution causes a significant decrease in the interfacial tension for all investigated oils. The results of this study are important for understanding the influence of polymer-surfactant interactions on the properties of the solution and stability of dispersed systems. [Project of the Serbian Ministry of Education, Science and Technological Development, Grant no. III46010

Tailoring electrode/electrolyte interfacial properties in flexible supercapacitors by applying pressure

Energy Technology Data Exchange (ETDEWEB)

Masarapu, Charan; Wang, Lian-Ping; Li, Xin; Wei, Bingqing [Department of Mechanical Engineering, University of Delaware, Newark, DE (United States)

2012-05-15

Electrode/electrolyte interfacial properties of flexible supercapacitors assembled with nanostructured activated carbon fabric (ACF) electrodes can be tailored by applying a pressure and tuning electrolyte ion size relative to electrode pore size. Experimental results reveal that increasing pressure between the supercapacitor electrodes can significantly improve capacitive performance. The ratio of solvated ion size in the electrolyte to the pore size on the electrodes determines the minimum pressure necessary to achieve an optimum performance. For a specific electrode material, this minimum pressure for optimum performance is primarily governed by the size of the larger solvated ions (either the anions or cations), and is lower ({proportional_to}689 KPa) when the ratio of the solvated ion size to the pore size is higher than 0.6, and is higher (at least 1379 KPa) when the ratio is lower than 0.6. An analytical model capable of predicting the experimental performance data has been developed. These results together provide a fundamental understanding of pressure dependence of electrode/electrolyte interfacial properties and pave the way for practical applications of flexible supercapacitors. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Role of Interfacial Properties of 4-hydroxyquinoline and / or Some Crown Ethers in the Mechanism of Extraction Process

International Nuclear Information System (INIS)

Daoud, J.A.; El-Dessouky, S.I.

2000-01-01

The interfacial properties of 8-hydroxyquinoline (HOX) and /or some crown ethers; Db 18 C6, 18 C6 and 15 C5 at the chloroform/ nitrate interface were investigated by measuring their interfacial tension using Du Nouy ring method. The data indicate that 18 C6 and 15 C5 have variable effects on the chloroform-nitrate interface according to their concentrations while Db 18 C6 and HOX have nearly no effect at the interface in the investigated concentration range. The mixture of HOX and 18 C6 or 15 C5 showed different trends according to their concentrations. The proposed mechanisms were verified by carrying out Co(II) extraction by HOX-Db 18 C6 mixture in chloroform in the low and high concentration ranges at different interfacial area. The use of benzene instead of chloroform indicate that the nature of diluent has a marked effect on the interfacial properties of 18 C6 and 15 C5 while Db 18 C6 was found to be sparingly soluble in benzene in the investigated concentration range

Effect of CO{sub 2}-laser irradiation on properties and performance of thin-film composite polyamide reverse osmosis membrane

Energy Technology Data Exchange (ETDEWEB)

Jahangiri, Foad; Mousavi, Seyyed Abbas; Farhadi, Fathollah; Sabzi, Behnam; Chenari, Zeinab [Sharif University of Technology, Tehran (Iran, Islamic Republic of); Vatanpour, Vahid [Kharazmi (Tarbiat Moallem) University, Tehran (Iran, Islamic Republic of)

2016-03-15

CO{sub 2}-laser irradiation was used to modify the surface properties of thin-film composite (TFC) polyamide reverse osmosis (RO) membranes. These membranes were first synthesized via interfacial polymerization of m-phenylenediamine (MPD) monomers and trimesoyl chloride (TMC) over porous polysulfone ultrafiltration support, followed by a CO{sub 2}-irradiation. AFM, ATR-FTIR, SEM and contact angle measurements were used to characterize the surface properties of these membranes. The ATR-FTIR results indicated that CO{sub 2}-laser irradiation did not induce any functional groups on the membrane surface. However, it was found that the laser irradiation enhanced the NaCl salt rejection and slightly reduced the permeate flux. Moreover, the maintenance of the flux in modified membranes was much higher than untreated ones. Specially, after 180 min of filtration, the reduction in initial flux for the unmodified membranes was 22%. However, the reduction in initial flux for the modified membranes was less than 5%. Bovine serum albumin (BSA) filtration revealed an improvement in the antifouling properties of the modified membranes. The changes in the membrane surface morphology showed that the roughness of membrane surface is reduced significantly.

Curvature Dependence of Interfacial Properties for Associating Lennard—Jones Fluids: A Density Functional Study

International Nuclear Information System (INIS)

Sun Zong-Li; Kang Yan-Shuang

2011-01-01

Classical density functional theory is used to study the associating Lennard—Jones fluids in contact with spherical hard wall of different curvature radii. The interfacial properties including contact density and fluid-solid interfacial tension are investigated. The influences of associating energy, curvature of hard wall and the bulk density of fluids on these properties are analyzed in detail. The results may provide helpful clues to understand the interfacial properties of other complex fluids. (condensed matter: structure, mechanical and thermal properties)

Effect of Interfacial Bonding on Interphase Properties in SiO2/Epoxy Nanocomposite: A Molecular Dynamics Simulation Study.

Science.gov (United States)

Wang, Zhikun; Lv, Qiang; Chen, Shenghui; Li, Chunling; Sun, Shuangqing; Hu, Songqing

2016-03-23

Atomistic molecular dynamics simulations have been performed to explore the effect of interfacial bonding on the interphase properties of a nanocomposite system that consists of a silica nanoparticle and the highly cross-linked epoxy matrix. For the structural properties, results show that interfacial covalent bonding can broaden the interphase region by increasing the radial effect range of fluctuated mass density and oriented chains, as well as strengthen the interphase region by improving the thermal stability of interfacial van der Waals excluded volume and reducing the proportion of cis conformers of epoxy segments. The improved thermal stability of the interphase region in the covalently bonded model results in an increase of ∼21 K in the glass transition temperature (Tg) compared to that of the pure epoxy. It is also found that interfacial covalent bonding mainly restricts the volume thermal expansion of the model at temperatures near or larger than Tg. Furthermore, investigations from mean-square displacement and fraction of immobile atoms point out that interfacial covalent and noncovalent bonding induces lower and higher mobility of interphase atoms than that of the pure epoxy, respectively. The obtained critical interfacial bonding ratio when the interphase and matrix atoms have the same mobility is 5.8%. These results demonstrate that the glass transitions of the interphase and matrix will be asynchronous when the interfacial bonding ratio is not 5.8%. Specifically, the interphase region will trigger the glass transition of the matrix when the ratio is larger than 5.8%, whereas it restrains the glass transition of the matrix when the ratio is smaller than 5.8%.

Interfacial Interactions in Monolayer and Few-Layer SnS/CH3 NH3 PbI3 Perovskite van der Waals Heterostructures and Their Effects on Electronic and Optical Properties.

Science.gov (United States)

Li, Jian-Cai; Wei, Zeng-Xi; Huang, Wei-Qing; Ma, Li-Li; Hu, Wangyu; Peng, Ping; Huang, Gui-Fang

2018-02-05

A high light-absorption coefficient and long-range hot-carrier transport of hybrid organic-inorganic perovskites give huge potential to their composites in solar energy conversion and environmental protection. Understanding interfacial interactions and their effects are paramount for designing perovskite-based heterostructures with desirable properties. Herein, we systematically investigated the interfacial interactions in monolayer and few-layer SnS/CH 3 NH 3 PbI 3 heterostructures and their effects on the electronic and optical properties of these structures by density functional theory. It was found that the interfacial interactions in SnS/CH 3 NH 3 PbI 3 heterostructures were van der Waals (vdW) interactions, and they were found to be insensitive to the layer number of 2D SnS sheets. Interestingly, although their band gap decreased upon increasing the layer number of SnS, the near-gap electronic states and optical absorption spectra of these heterostructures were found to be strikingly similar. This feature was determined to be critical for the design of 2D layered SnS-based heterostructures. Strong absorption in the ultraviolet and visible-light regions, type II staggered band alignment at the interface, and few-layer SnS as an active co-catalyst make 2D SnS/CH 3 NH 3 PbI 3 heterostructures promising candidates for photocatalysis, photodetectors, and solar energy harvesting and conversion. These results provide first insight into the nature of interfacial interactions and are useful for designing hybrid organic-inorganic perovskite-based devices with novel properties. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

The influence of interfacial barrier engineering on the resistance switching of In2O3:SnO2/TiO2/In2O3:SnO2 device

International Nuclear Information System (INIS)

Liu Zi-Yu; Zhang Pei-Jian; Meng Yang; Li Dong; Meng Qing-Yu; Li Jian-Qi; Zhao Hong-Wu

2012-01-01

The I—V characteristics of In 2 O 3 :SnO 2 /TiO 2 /In 2 O 3 :SnO 2 junctions with different interfacial barriers are investigated by comparing experiments. A two-step resistance switching process is found for samples with two interfacial barriers produced by specific thermal treatment on the interfaces. The nonsynchronous occurrence of conducting filament formation through the oxide bulk and the reduction in the interfacial barrier due to the migration of oxygen vacancies under the electric field is supposed to explain the two-step resistive switching process. The unique switching properties of the device, based on interfacial barrier engineering, could be exploited for novel applications in nonvolatile memory devices. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

Effects of Surface Treatment Processes of SiC Ceramic on Interfacial Bonding Property of SiC-AFRP

Directory of Open Access Journals (Sweden)

WEI Ru-bin

2016-12-01

Full Text Available To improve the interfacial bonding properties of SiC-aramid fiber reinforced polymer matrix composites (SiC-AFRP, the influences of etching process of SiC ceramic, coupling treatment process, and the adhesives types on the interfacial peel strength of SiC-AFRP were studied. The results show that the surface etching process and coupling treatment process of silicon carbide ceramic can effectively enhance interfacial bonding property of the SiC-AFRP. After soaked the ceramic in K3Fe(CN6 and KOH mixed etching solution for 2 hours, and coupled with vinyl triethoxy silane coupling agent, the interfacial peel strength of the SiC-AFRP significantly increases from 0.45kN/m to 2.20kN/m. EVA hot melt film with mass fraction of 15%VA is ideal for interface adhesive.

Carbon fiber reinforced thermoplastic composites from acrylic polymer matrices: Interfacial adhesion and physical properties

Directory of Open Access Journals (Sweden)

H. Kishi

2017-04-01

Full Text Available Acrylic polymers have high potential as matrix polymers for carbon fiber reinforced thermoplastic polymers (CFRTP due to their superior mechanical properties and the fact that they can be fabricated at relatively low temperatures. We focused on improving the interfacial adhesion between carbon fibers (CFs and acrylic polymers using several functional monomers for co-polymerization with methyl methacrylate (MMA. The copolymerized acrylic matrices showed good adhesion to the CF surfaces. In particular, an acrylic copolymer with acrylamide (AAm showed high interfacial adhesive strength with CFs compared to pure PMMA, and a hydroxyethyl acrylamide (HEAA copolymer containing both amide and hydroxyl groups showed high flexural strength of the CFRTP. A 3 mol% HEAA-copolymerized CFRTP achieved a flexural strength almost twice that of pure PMMA matrix CFRTP, and equivalent to that of an epoxy matrix CFRP.

Dielectric and magnetic properties of (Zn, Co) co-doped SnO2 nanoparticles

International Nuclear Information System (INIS)

Rajwali, Khan; Fang Ming-Hu

2015-01-01

Polycrystalline samples of (Zn, Co) co-doped SnO 2 nanoparticles were prepared using a co-precipitation method. The influence of (Zn, Co) co-doping on electrical, dielectric, and magnetic properties was studied. All of the (Zn, Co) co-doped SnO 2 powder samples have the same tetragonal structure of SnO 2 . A decrease in the dielectric constant was observed with the increase of Co doping concentration. It was found that the dielectric constant and dielectric loss values decrease, while AC electrical conductivity increases with doping concentration and frequency. Magnetization measurements revealed that the Co doping SnO 2 samples exhibits room temperature ferromagnetism. Our results illustrate that (Zn, Co) co-doped SnO 2 nanoparticles have an excellent dielectric, magnetic properties, and high electrical conductivity than those reported previously, indicating that these (Zn, Co) co-doped SnO 2 materials can be used in the field of the ultrahigh dielectric material, high frequency device, and spintronics. (paper)

Novel strip-cast Mg/Al clad sheets with excellent tensile and interfacial bonding properties.

Science.gov (United States)

Kim, Jung-Su; Lee, Dong Ho; Jung, Seung-Pill; Lee, Kwang Seok; Kim, Ki Jong; Kim, Hyoung Seop; Lee, Byeong-Joo; Chang, Young Won; Yuh, Junhan; Lee, Sunghak

2016-06-01

In order to broaden industrial applications of Mg alloys, as lightest-weight metal alloys in practical uses, many efforts have been dedicated to manufacture various clad sheets which can complement inherent shortcomings of Mg alloys. Here, we present a new fabrication method of Mg/Al clad sheets by bonding thin Al alloy sheet on to Mg alloy melt during strip casting. In the as-strip-cast Mg/Al clad sheet, homogeneously distributed equi-axed dendrites existed in the Mg alloy side, and two types of thin reaction layers, i.e., γ (Mg17Al12) and β (Mg2Al3) phases, were formed along the Mg/Al interface. After post-treatments (homogenization, warm rolling, and annealing), the interfacial layers were deformed in a sawtooth shape by forming deformation bands in the Mg alloy and interfacial layers, which favorably led to dramatic improvement in tensile and interfacial bonding properties. This work presents new applications to multi-functional lightweight alloy sheets requiring excellent formability, surface quality, and corrosion resistance as well as tensile and interfacial bonding properties.

Improving interfacial, mechanical and tribological properties of alumina coatings on Al alloy by plasma arc heat-treatment of substrate

Energy Technology Data Exchange (ETDEWEB)

Hou, Guoliang [State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); An, Yulong, E-mail: csuayl@sohu.com [State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); Zhao, Xiaoqin; Zhou, Huidi [State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); Chen, Jianmin, E-mail: chenjm@licp.cas.cn [State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); Li, Shuangjian; Liu, Xia; Deng, Wen [State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); University of Chinese Academy of Sciences, Beijing 100049 (China)

2017-07-31

Highlights: • Columnar δ-Al{sub 2}O{sub 3} induces epitaxial growth of γ-Al{sub 2}O{sub 3} grains in coating after PA-HT. • Epitaxial growth greatly enhances interfacial bonding of Al{sub 2}O{sub 3} coating on Al alloy. • Penetration of Al{sub 2}O{sub 3} droplets into Al alloy increases interfacial anchorage force. • Crystal structure of the alumina coatings can be refined after PA-HT of substrate. • Mechanical and tribological properties of the coatings are improved after PA-HT. - Abstract: Plasma sprayed ceramic coatings can be used to improve the mechanical properties and wear resistance of aluminum alloys, but there are still some challenges to effectively increase their interfacial adhesion. Thus we conducted plasma arc-heat treatment (PA-HT) of Al alloy substrate before plasma spraying, hoping to tune the microstructure of Al{sub 2}O{sub 3} coatings and improve their interfacial strength as well as mechanical and tribological properties. The influences of PA-HT on the microstructure of alumina coatings were analyzed by X-ray diffraction, transmission electron microscopy and scanning electron microscopy, while its effect on mechanical and tribological properties were evaluated by a nano-indentation tester and a friction and wear tester. Results demonstrate that a few columnar δ-Al{sub 2}O{sub 3} generated on substrate surface after PA-HT at 200–250 °C can induce the epitaxial growth of γ-Al{sub 2}O{sub 3} grains in Al{sub 2}O{sub 3} coatings, thereby enhancing their interfacial bonding. Besides, elevating substrate temperature can help alumina droplets to melt into the interior of substrate and eliminate holes at the interface, finally increasing the interfacial anchorage force. More importantly, no interfacial holes can allow the heat of droplets to be rapidly transmitted to substrate, which is beneficial to yield smaller crystals in coatings and greatly enhance their strength, hardness and wear resistance.

Interfacial (Fiber-matrix) Properties of High-strength Mortar (150 MPa) from Fiber Pullout

DEFF Research Database (Denmark)

Shannag, M.J.; Brincker, Rune; Hansen, Will

1996-01-01

 The steel fiber-matrix properties of high-strength mortar (150 MPa), such as DSP (densified small particle), are obtained and compared to an ordinary strength mortar (40 MPa) using a specially designed fiber pullout apparatus. A new method for estimating the debonding energy of the interfacial z......-strength DSP mortar has significantly improved interfacial properties compared to ordinary strength mortar. These results are important in the understanding of the role of steel fibers in improving the tensile properties of high-strength, brittle, cement-matrix composites....... The steel fiber-matrix properties of high-strength mortar (150 MPa), such as DSP (densified small particle), are obtained and compared to an ordinary strength mortar (40 MPa) using a specially designed fiber pullout apparatus. A new method for estimating the debonding energy of the interfacial...

On the microstructure and interfacial properties of sputtered nickel ...

Indian Academy of Sciences (India)

Administrator

On the microstructure and interfacial properties of sputtered nickel ... (FE-SEM) and atomic force microscope (AFM) revealed columnar morphology with voided boundaries for ..... compound phase formation by performing the deposition.

The effect of interfacial intermixing on magnetization and anomalous Hall effect in Co/Pd multilayers

KAUST Repository

Guo, Zaibing

2015-05-01

The effect of interfacial intermixing on magnetization and anomalous Hall effect (AHE) in Co/Pd multilayers is studied by using rapid thermal annealing to enhance the interfacial diffusion. The dependence of saturation magnetization and coercivity on the temperature of rapid thermal annealing at 5 K is discussed. It is found that AHE is closely related to the relative thickness of the Co and Pd layers. Localized paramagnetism has been observed which destroys AHE, while AHE can be enhanced by annealing.

Crucial thermophysical mechanisms for the safety of CO{sub 2} geological storage; Mecanismes thermophysiques determinant la securite du stockage geologique du CO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Chiquet, P

2006-09-15

CO{sub 2} underground storage as an option for reducing greenhouse gases emissions consists of trapping industrial CO{sub 2} and injecting it into deep geological formations such as saline aquifers and hydrocarbons reservoirs. This study aims at assessing leakage processes and evaluating storage capacities. To this end, two leakage phenomena were considered, cap-rock capillary breakthrough and diffusional transport. The former involves interfacial properties of the brine/CO{sub 2}/mineral system: brine/CO{sub 2} interfacial tension and rock wettability under dense CO{sub 2}. Chapter one presents a series of IFT measurements performed at temperatures and pressures up to 4 5 MPa-110 C. Results show a great decrease of IFT with pressure in the 0-to-20 MPa range beyond what it tends to stabilize at values in the order of 25-30 mN.m{sup -1}. Chapter two deals with rock wettability. Dynamic contact angles were measured on muscovite mica and quartz up to 10 MPa. Results highlight an alteration of wettability with pressure that was accounted for by means of a DLVO based model. Direct capillary entry pressures on a clay stone sample are proposed in chapter three. Diffusion, is treated in chapter four. We used the Taylor dispersion method to measure D up to 40 MPa. Results indicate low values in the order of 2.10{sup -9} m{sup 2}.s{sup -1}. Chapter five discusses the consequences of the previous parameters in terms of storage capacity. (author)

Interfacial Dzyaloshinskii-Moriya interaction sign in Ir/Co2FeAl systems investigated by Brillouin light scattering

Science.gov (United States)

Belmeguenai, M.; Gabor, M. S.; Roussigné, Y.; Petrisor, T.; Mos, R. B.; Stashkevich, A.; Chérif, S. M.; Tiusan, C.

2018-02-01

C o2FeAl (CFA) ultrathin films, of various thicknesses (0.9 nm ≤tCFA≤1.8 nm ), have been grown by sputtering on Si substrates, using Ir as a buffer layer. The magnetic properties of these structures have been studied by vibrating sample magnetometry (VSM), miscrostrip ferromagnetic resonance (MS-FMR), and Brillouin light scattering (BLS) in the Damon-Eshbach geometry. VSM characterizations show that films are mostly in-plane magnetized and the saturating field perpendicular to the film plane increases with decreasing CFA thickness suggesting the existence of a perpendicular interface anisotropy. The presence of a magnetic dead layer of 0.44 nm has been detected by VSM. The MS-FMR with the magnetic field applied perpendicularly to the film plane has been used to determine the gyromagnetic factor. The BLS measurements reveal a pronounced nonreciprocal spin wave propagation, due to the interfacial Dzyaloshinskii-Moriya interaction (DMI) induced by the Ir interface with CFA, which increases with decreasing CFA thickness. The DMI sign has been found to be the same (negative) as that of Pt/Co, in contrast to the ab initio calculation on Ir/Co, where it is found to be positive. The thickness dependence of the effective DMI constant shows the existence of two regimes similarly to that of the perpendicular anisotropy constant. The surface DMI constant Ds was estimated to be -0.37 pJ /m for the thickest samples, where a linear thickness dependence of the effective DMI constant has been observed.

Interfacial Properties of EXXPRO(TM) and General Purpose Elastomers

Science.gov (United States)

Zhang, Y.; Rafailovich, M.; Sokolov, Jon; Qu, S.; Ge, S.; Ngyuen, D.; Li, Z.; Peiffer, D.; Song, L.; Dias, J. A.; McElrath, K. O.

1998-03-01

EXXPRO(Trademark) elastomers are used for tires and many other applications. This elastomer (denoted as BIMS) is a random copolymer of p-methylstyrene (MS) and polyisobutylene (I) with varying degrees of PMS content and bromination (B) on the p-methyl group. BIMS is impermeable to gases, and has good heat, ozone and flex resistance. Very often general purpose elastomers are blended with BIMS. The interfacial width between polybutadiene and BIMS is a sensitive function of the Br level and PMS content. By neutron reflectivity (NR), we studied the dynamics of interface formation as a function of time and temperature for BIMS with varying degrees of PMS and Br. We found that in addition to the bulk parameters, the total film thickness and the proximity of an interactive surface can affect the interfacial interaction rates. The interfacial properties can also be modified by inclusion of particles, such as carbon black (a filler component in tire rubbers). Results will be presented on the relation between the interfacial width as measured by NR and compatibilization studies via AFM and LFM.

Interfacial Properties of Bamboo Fiber-Reinforced High-Density Polyethylene Composites by Different Methods for Adding Nano Calcium Carbonate

Directory of Open Access Journals (Sweden)

Cuicui Wang

2017-11-01

Full Text Available The focus of this study was to observe the effect of nano calcium carbonate (CaCO3 modification methods on bamboo fiber (BF used in BF-reinforced high-density polyethylene (HDPE composites manufactured by extrusion molding. Two methods were used to introduce the nano CaCO3 into the BF for modification; the first was blending modification (BM and the second was impregnation modification (IM. In order to determine the effects of the modification methods, the water absorption, surface free energy and interfacial properties of the unmodified composites were compared to those of the composites made from the two modification methods. The results revealed that the percentage increase in the weight of the composite treated by nano CaCO3 decreased and that of the IMBF/HDPE composite was the lowest over the seven months of time. The results obtained by the acid-base model according to the Lewis and Owens-Wendt- Rabel-Kaelble (OWRK equations indicated that the surface energy of the composites was between 40 and 50 mJ/m2. When compared to the control sample, the maximum storage modulus (E′max of the BMBF/HDPE and IMBF/HDPE composites increased 1.43- and 1.53-fold, respectively. The values of the phase-to-phase interaction parameter B and the k value of the modified composites were higher than those of the unmodified composites, while the apparent activation energy Ea and interface parameter A were lower in the modified composites. It can be concluded that nano CaCO3 had an effect on the interfacial properties of BF-reinforced HDPE composites, and the interface bonding between IMBF and HDPE was greatest among the composites.

Improving interfacial, mechanical and tribological properties of alumina coatings on Al alloy by plasma arc heat-treatment of substrate

Science.gov (United States)

Hou, Guoliang; An, Yulong; Zhao, Xiaoqin; Zhou, Huidi; Chen, Jianmin; Li, Shuangjian; Liu, Xia; Deng, Wen

2017-07-01

Plasma sprayed ceramic coatings can be used to improve the mechanical properties and wear resistance of aluminum alloys, but there are still some challenges to effectively increase their interfacial adhesion. Thus we conducted plasma arc-heat treatment (PA-HT) of Al alloy substrate before plasma spraying, hoping to tune the microstructure of Al2O3 coatings and improve their interfacial strength as well as mechanical and tribological properties. The influences of PA-HT on the microstructure of alumina coatings were analyzed by X-ray diffraction, transmission electron microscopy and scanning electron microscopy, while its effect on mechanical and tribological properties were evaluated by a nano-indentation tester and a friction and wear tester. Results demonstrate that a few columnar δ-Al2O3 generated on substrate surface after PA-HT at 200-250 °C can induce the epitaxial growth of γ-Al2O3 grains in Al2O3 coatings, thereby enhancing their interfacial bonding. Besides, elevating substrate temperature can help alumina droplets to melt into the interior of substrate and eliminate holes at the interface, finally increasing the interfacial anchorage force. More importantly, no interfacial holes can allow the heat of droplets to be rapidly transmitted to substrate, which is beneficial to yield smaller crystals in coatings and greatly enhance their strength, hardness and wear resistance.

A Polarizable and Transferable PHAST CO 2 Potential for Materials Simulation

KAUST Repository

Mullen, Ashley L.

2013-12-10

Reliable PHAST (Potentials with High Accuracy Speed and Transferability) intermolecular potential energy functions for CO2 have been developed from first principles for use in heterogeneous systems, including one with explicit polarization. The intermolecular potentials have been expressed in a transferable form and parametrized from nearly exact electronic structure calculations. Models with and without explicit many-body polarization effects, known to be important in simulation of interfacial processes, are constructed. The models have been validated on pressure-density isotherms of bulk CO 2 and adsorption in three metal-organic framework (MOF) materials. The present models appear to offer advantages over high quality fluid/liquid state potentials in describing CO2 interactions in interfacial environments where sorbates adopt orientations not commonly explored in bulk fluids. Thus, the nonpolar CO2-PHAST and polarizable CO 2-PHAST* potentials are recommended for materials/interfacial simulations. © 2013 American Chemical Society.

Interfacial microstructure and mechanical properties of Cf/AZ91D composites with TiO2 and PyC fiber coatings.

Science.gov (United States)

Li, Shaolin; Qi, Lehua; Zhang, Ting; Ju, Luyan; Li, Hejun

2017-10-01

In spite of the effectiveness of the fiber coatings on interface modification of carbon fiber reinforced magnesium matrix composites, the cost and exclusive equipment for the coatings preparation are usually ignored during research work. In this paper, pyrolytic carbon (PyC) and TiO 2 were coated on carbon fiber surface to study the effects of fiber coatings on interfacial microstructure and mechanical properties of carbon fiber reinforced AZ91D composites (C f /AZ91D composites). It was indicated that both the two coatings could modify the interface and improve the mechanical properties of the composites. The ultimate tensile strength of the TiO 2 -C f /AZ91D and the PyC-C f /AZ91D composite were 333MPa and 400MPa, which were improved by 41.7% and 70.2% respectively, compared with the untreated-C f /AZ91D composite. The microstructure observation revealed that the strengthening of the composites relied on fiber integrity and moderate interfacial bonding. MgO nano-particles were generated at the interface due to the reaction of TiO 2 with Mg in the TiO 2 -C f /AZ91D composite. The volume expansion resulting from the reaction let to disordered intergranular films and crystal defects at the interface. The fibers were protected and the interfacial reaction was restrained by PyC coating in the PyC-C f /AZ91D composite. The principle to select the coating of fiber was proposed by comparing the effectiveness and cost of the coatings. Copyright © 2017 Elsevier Ltd. All rights reserved.

Crystal–liquid interfacial free energy and thermophysical properties of pure liquid Ti using electrostatic levitation: Hypercooling limit, specific heat, total hemispherical emissivity, density, and interfacial free energy

International Nuclear Information System (INIS)

Lee, Geun Woo; Jeon, Sangho; Park, Cheolmin; Kang, Dong-Hee

2013-01-01

Highlights: • Thermophysical properties of liquid Ti are obtained by electrostatic levitation. • How to measure the thermophysical properties is shown with non-contact method. • Hypercooling limit of liquid Ti guarantying homogeneous nucleation is 341 K. • Accurate ratio C p /ε T of the liquid Ti is obtained with weak temperature dependence. • Interfacial free energy of Ti is estimated with the thermophysical parameters. -- Abstract: Thermophysical properties of liquid Ti are measured by a newly developed electrostatic levitation. In this study, we measure a hypercooling limit (ΔT hyp ), specific heat (C p ), total hemispherical emissivity (ε T ), and density (ρ) of liquid Ti. The ΔT hyp of the liquid Ti is 341 K. The C p of the liquid Ti shows very weak temperature dependence during supercooling. The ε T and ρ of the liquid Ti are given by 0.329 and ρ(T) (g/cm 3 ) = (4.16 − 2.36) · 10 −4 (T − T m ). Finally, the interfacial free energy is estimated with the measured thermophysical parameters. The interfacial free energy is 0.164 J/m 2 , and Turnbull’s coefficient is 0.48

PVTxy properties of CO2 mixtures relevant for CO2 capture, transport and storage: Review of available experimental data and theoretical models

International Nuclear Information System (INIS)

Li, Hailong; Jakobsen, Jana P.; Wilhelmsen, Oivind; Yan, Jinyue

2011-01-01

Highlights: → Accurate knowledge about the thermodynamic properties of CO 2 is essential in the design and operation of CCS systems. → Experimental data about the phase equilibrium and density of CO 2 -mixtures have been reviewed. → Equations of state have been reviewed too regarding CO 2 -mixtures. None has shown any clear advantage in CCS applications. → Identified knowledge gaps suggest to conducting more experiments and developing novel models. -- Abstract: The knowledge about pressure-volume-temperature-composition (PVTxy) properties plays an important role in the design and operation of many processes involved in CO 2 capture and storage (CCS) systems. A literature survey was conducted on both the available experimental data and the theoretical models associated with the thermodynamic properties of CO 2 mixtures within the operation window of CCS. Some gaps were identified between available experimental data and requirements of the system design and operation. The major concerns are: for the vapour-liquid equilibrium, there are no data about CO 2 /COS and few data about the CO 2 /N 2 O 4 mixture. For the volume property, there are no published experimental data for CO 2 /O 2 , CO 2 /CO, CO 2 /N 2 O 4 , CO 2 /COS and CO 2 /NH 3 and the liquid volume of CO 2 /H 2 . The experimental data available for multi-component CO 2 mixtures are also scarce. Many equations of state are available for thermodynamic calculations of CO 2 mixtures. The cubic equations of state have the simplest structure and are capable of giving reasonable results for the PVTxy properties. More complex equations of state such as Lee-Kesler, SAFT and GERG typically give better results for the volume property, but not necessarily for the vapour-liquid equilibrium. None of the equations of state evaluated in the literature show any clear advantage in CCS applications for the calculation of all PVTxy properties. A reference equation of state for CCS should, thus, be a future goal.

Influences of interfacial properties on second-harmonic generation of Lamb waves propagating in layered planar structures

International Nuclear Information System (INIS)

Deng Mingxi; Wang Ping; Lv Xiafu

2006-01-01

This paper describes influences of interfacial properties on second-harmonic generation of Lamb waves propagating in layered planar structures. The nonlinearity in the elastic wave propagation is treated as a second-order perturbation of the linear elastic response. Due to the kinematic nonlinearity and the elastic nonlinearity of materials, there are second-order bulk and surface/interface driving sources in layered planar structures through which Lamb waves propagate. These driving sources can be thought of as forcing functions of a series of double frequency lamb waves (DFLWs) in terms of the approach of modal expansion analysis for waveguide excitation. The total second-harmonic fields consist of a summation of DFLWs in the corresponding stress-free layered planar structures. The interfacial properties of layered planar structures can be described by the well-known finite interfacial stiffness technique. The normal and tangential interfacial stiffness constants can be coupled with the equation governing the expansion coefficient of each DFLW component. On the other hand, the normal and tangential interfacial stiffness constants are associated with the degree of dispersion between Lamb waves and DFLWs. Theoretical analyses and numerical simulations indicate that the efficiency of second-harmonic generation by Lamb wave propagation is closely dependent on the interfacial properties of layered structures. The potential of using the effect of second-harmonic generation by Lamb wave propagation to characterize the interfacial properties of layered structures are considered. Some experimental results are presented

Interfacial phenomena at the compressed co2-water interface

Directory of Open Access Journals (Sweden)

B. Bharatwaj

2006-06-01

Full Text Available Compressed CO2 is considered to be a viable alternative to toxic volatile organic solvents with potential applications in areas including separation reactions, and materials formation processes. Thus an interest in CO2 stems from the fact that it is very inexpensive, has low toxicity, and is not a regulated. However, compressed CO2 has a zero dipole moment and weak van der Waals forces and thus is a poor solvent for both polar and most high molecular weight solutes, characteristics that severely restrict its applicability. In order to overcome this inherent inability, surfactant-stabilized organic and aqueous dispersions in CO2 have been proposed. This work will discuss fundamentals and recent advances in the design of amphiphiles for the novel CO2-water interface.

Effect of argon ion etching on the magnetic properties of FeCoB films

Energy Technology Data Exchange (ETDEWEB)

Zhu, Junwei; Zhou, Kan; Yang, Yi; Tang, Dongming; Zhang, Baoshan, E-mail: malab@nju.edu.cn; Lu, Mu; Lu, Huaixian

2015-01-15

In this paper, a new method to modify Ta underlayers by an argon ion etching technology is introduced. Surface roughness of Ta underlayers, as well as soft magnetic properties of post-deposited FeCoB films can be improved by applying a proper ion etching process. The reduction of magnetic coercivity of FeCoB films deposited on the modified Ta underlayers is attributed to the improvement of interfacial roughness, which can reduce magnetic ripples in magnetic films. The microwave damping linewidth of magnetic films is also found to be related to the interfacial roughness. Ta underlayers modified by the ion etching can reduce the influence of two-magnon scattering effect, and thus tune microwave properties of magnetic films. All the results prove that argon ion etching is an effective way to tailor magnetic properties of magnetic films. - Highlights: • We believe that our method to tune the magnetic film properties will be interesting for general readers of Journal of Magnetism and Magnetic Materials. • In the paper, argon ion etching is applied to the Ta underlayer before the FeCoB film is deposited on it. • The modified interface roughness has effectively improved the magnetic properties, including the static magnetic and microwave performance. • The method is valuable for other underlayer/magnetic film systems.

The influence of interfacial properties on the two-phase liquid flow of organic contaminants in groundwater

International Nuclear Information System (INIS)

Demond, A.H.; Desai, F.N.; Hayes, K.F.

1992-01-01

DOE's waste sites are contaminated with a variety of organic liquids. Because of their low solubility in water, organic liquids such as these will persist as separate liquid phases and be transported as such in the subsurface. Thus, an improved understanding of the factors influencing the movement of a separate organic liquid phase in the subsurface is important to DOE's efforts to control groundwater contamination. Wettability is sometimes cited as the most important factor influencing two-phase flow in porous media. The wetting phase migrates preferentially through the smaller pores, whereas the nonwetting phase is concentrated in the larger pores. Typically, aquifers are thought of as strongly water-wet, implying that the organic liquid preferentially occupies the larger pores. But in fact, that state depends on the properties of the three interfaces of the system: between the organic liquid and water, water and the solid, and the organic liquid and the solid. Characteristics of the system which affect the interfacial properties also impact the wettability, such as the nature of the aquifer solids' surfaces, the composition of the goundwater and the properties of the organic contaminant. The alteration of wettability at DOE waste sites may be dominated by the presence of co-contaminants such as organic acids and bases which behave as surface-active agents or surfactants. Because of their physicochemical nature, surfactants will sorb preferentially at the interfaces of the system, thereby impacting the wettability and the distribution of the liquids in the porous medium. The over-all objective of this research was to determine how changes in interfacial properties affect two-phase flow. Specifically, the objective was to examine the effect of surfactant sorption on capillary pressure relationships by correlating measurements of sorption, zeta potential, interfacial tension and contact angle, with changes in the capillary pressure-saturation relationships

An Integrated Capillary, Buoyancy, and Viscous-Driven Model for Brine/CO2Relative Permeability in a Compositional and Parallel Reservoir Simulator

KAUST Repository

Kong, X.; Delshad, M.; Wheeler, M. F.

2012-01-01

The effectiveness of CO2 storage in the saline aquifers is governed by the interplay of capillary, viscous, and buoyancy forces. Recent experimental study reveals the impact of pressure, temperature, and salinity on interfacial tension (IFT) between CO2 and brine. The dependence of CO2-brine relative permeability and capillary pressure on pressure (IFT) is also clearly evident in published experimental results. Improved understanding of the mechanisms that control the migration and trapping of CO2 in subsurface is crucial to design future storage projects that warrant long-term and safe containment. Simulation studies ignoring the buoyancy and also variation in interfacial tension and the effect on the petrophysical properties such as trapped CO2 saturations, relative permeability, and capillary pressure have a poor chance of making accurate predictions of CO2 injectivity and plume migration. We have developed and implemented a general relative permeability model that combines effects of pressure gradient, buoyancy, and IFT in an equation of state (EOS) compositional and parallel simulator. The significance of IFT variations on CO2 migration and trapping is assessed.

An Integrated Capillary, Buoyancy, and Viscous-Driven Model for Brine/CO2Relative Permeability in a Compositional and Parallel Reservoir Simulator

KAUST Repository

Kong, X.

2012-11-03

The effectiveness of CO2 storage in the saline aquifers is governed by the interplay of capillary, viscous, and buoyancy forces. Recent experimental study reveals the impact of pressure, temperature, and salinity on interfacial tension (IFT) between CO2 and brine. The dependence of CO2-brine relative permeability and capillary pressure on pressure (IFT) is also clearly evident in published experimental results. Improved understanding of the mechanisms that control the migration and trapping of CO2 in subsurface is crucial to design future storage projects that warrant long-term and safe containment. Simulation studies ignoring the buoyancy and also variation in interfacial tension and the effect on the petrophysical properties such as trapped CO2 saturations, relative permeability, and capillary pressure have a poor chance of making accurate predictions of CO2 injectivity and plume migration. We have developed and implemented a general relative permeability model that combines effects of pressure gradient, buoyancy, and IFT in an equation of state (EOS) compositional and parallel simulator. The significance of IFT variations on CO2 migration and trapping is assessed.

Anomalous Hall effect suppression in anatase Co:TiO2 by the insertion of an interfacial TiO2 buffer layer

NARCIS (Netherlands)

Lee, Y.J.; de Jong, Machiel Pieter; van der Wiel, Wilfred Gerard; Kim, Y.; Brock, J.D.

2010-01-01

We present the effect of introducing a TiO2 buffer layer at the SrTiO3 /Co:TiO2 interface on the magnetic and structural properties of anatase Co:TiO2 1.4 at. % Co. Inserting the buffer layer leads to suppression of the room-temperature anomalous Hall effect, accompanied by a reduced density of Co

Effects of atmospheric air plasma treatment on interfacial properties of PBO fiber reinforced composites

Energy Technology Data Exchange (ETDEWEB)

Zhang, Chengshuang, E-mail: cszhang83@163.com; Li, Cuiyun; Wang, Baiya; Wang, Bin; Cui, Hong

2013-07-01

Poly(p-phenylene benzobisoxazole) (PBO) fiber was modified by atmospheric air plasma treatment. The effects of plasma treatment power and speed on both surface properties of PBO fibers and interfacial properties of PBO/epoxy composites were investigated. Surface chemical composition of PBO fibers were analyzed by X-ray photoelectron spectroscopy (XPS). Surface morphologies of the fibers and interface structures of the composites were examined using scanning electron microscopy (SEM). Interfacial adhesion property of the composites was evaluated by interlaminar shear strength (ILSS). Mechanical properties of PBO multifilament were measured by universal testing machine. The results indicate that atmospheric air plasma treatment introduced some polar or oxygen-containing groups to PBO fiber surfaces, enhanced surface roughness and changed surface morphologies of PBO fibers by plasma etching and oxidative reactions. The plasma treatment also improved interfacial adhesion of PBO/epoxy composites but has little effect on tensile properties of PBO multifilament. The ILSS of PBO/epoxy composites increased to 40.0 MPa after atmospheric air plasma treatment with plasma treatment power of 300 W and treatment speed of 6 m/min.

Interfacial and electrical properties of HfAlO/GaSb metal-oxide-semiconductor capacitors with sulfur passivation

International Nuclear Information System (INIS)

Tan Zhen; Zhao Lian-Feng; Wang Jing; Xu Jun

2014-01-01

Interfacial and electrical properties of HfAlO/GaSb metal-oxide-semiconductor capacitors (MOSCAPs) with sulfur passivation were investigated and the chemical mechanisms of the sulfur passivation process were carefully studied. It was shown that the sulfur passivation treatment could reduce the interface trap density D it of the HfAlO/GaSb interface by 35% and reduce the equivalent oxide thickness (EOT) from 8 nm to 4 nm. The improved properties are due to the removal of the native oxide layer, as was proven by x-ray photoelectron spectroscopy measurements and high-resolution cross-sectional transmission electron microscopy (HRXTEM) results. It was also found that GaSb-based MOSCAPs with HfAlO gate dielectrics have interfacial properties superior to those using HfO 2 or Al 2 O 3 dielectric layers. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

Interfacial tension and wettability in water-carbon dioxide systems: Experiments and self-consistent field modeling

NARCIS (Netherlands)

Banerjee, S.; Hassenklover, E.; Kleijn, J.M.; Cohen Stuart, M.A.; Leermakers, F.A.M.

2013-01-01

This paper presents experimental and modeling results on water–CO2 interfacial tension (IFT) together with wettability studies of water on both hydrophilic and hydrophobic surfaces immersed in CO2. CO2–water interfacial tension (IFT) measurements showed that the IFT decreased with increasing

Interfacial symmetry of Co–Alq_3–Co hybrid structures for effective spin filtering

International Nuclear Information System (INIS)

Lam, Tu-Ngoc; Lai, Yu-Ling; Chen, Chih-Han; Chen, Po-Hung; Wei, Der-Hsin; Lin, Hong-Ji; Chen, C.T.; Sheu, Jeng-Tzong; Hsu, Yao-Jane

2015-01-01

Graphical abstract: - Highlights: • The spin interface at Alq_3/Co and Co/Alq_3 contacts was examined. • An interfacial symmetry was determined at Co–Alq_3–Co interfaces. • Spin-polarized N orbitals are induced within the Co atop Alq_3 hybridized interface. • The spin-filter role at the top contact interface of Alq_3/Co is proved. • Effective spin-filtering at Co–Alq_3–Co contacts was elucidated. - Abstract: Understanding the interfacial behavior at FM-OSC-FM hybrid structures for both the bottom contact (Alq_3 adsorption on Co, Co/Alq_3) and the top contact (Co atop Alq_3, Alq_3/Co) is crucial for efficient spin filtering with transport of spin-polarized charge carriers through these interfaces. X-ray photoelectron spectroscopy (XPS) spectra indicate a symmetry of charge transfer from Co to Alq_3 and the corresponding orbital hybridization to a certain extent at both contacts. The alignment of energy levels at both Alq_3/Co and Co/Alq_3 heterostructures is depicted with ultraviolet photoelectron spectroscopy (UPS). Through magnetic images acquired with a X-ray photoemission electron microscope (XPEEM), the strong hybridization of the top contact presents no micromagnetic domain but still shows magnetic coupling, to some extent, to the bottom contact in the Co–Alq_3–Co trilayer structure. Measurements of X-ray magnetic circular dichroism (XMCD) demonstrate the induced spin-polarization of non-magnetic Alq_3 at both contacts, proving Alq_3 a unique and promising organic material for spin filtering in OSV.

Probing properties of the interfacial perimeter sites in TiO x /Au/SiO 2 with 2-propanol decomposition

Energy Technology Data Exchange (ETDEWEB)

Wu, Yi Y.; Kung, Harold H. (NWU)

2017-11-01

The decomposition of 2-propanol was studied over SiO2, SiO2 with an overlayer of TiO2 (Ti/SiO2), Au/SiO2, and Au/SiO2 with an overlayer of TiO2 (Ti/[Au/SiO2]) at 170–190 °C. There was no reaction on SiO2. Propene was the only product on Ti/SiO2, and its rate of formation increased proportionally with the Ti content. Acetone was the major product (selectivity 65–99%) on all Au-containing catalysts. Its rate of formation also increased with Ti loading. In addition, small amounts of propene were also formed on Ti/[Au/SiO2] the rate of which increased with Ti loading. Characterization of the catalysts with N2 adsorption, STEM, DR-UV-vis spectroscopy, XPS, XANES and EXAFS suggested that the Ti formed an amorphous TiO2 overlayer on the catalyst. At high Ti loadings (4–5 wt.%), there were patches of thick porous TiO2 layer, and some microdomains of crystalline TiO2 could be detected. Au was present as 1–3 nm nanoparticles on all catalysts, before and after used in reaction. Only Lewis acid sites were detected based on results from pyridine adsorption, and their quantities increased with Ti loading. Based on the comparison of reaction rates, the dependence of the kinetics on 2-propanol partial pressure, the apparent activation energies, and the effect of co-feeding O2 among different catalysts, it was concluded that propene was formed on the TiO2 overlayer, acetone was formed primarily at the Au-TiO2 interfacial perimeter sites, and α-C-H bond breaking preceding acetone formation was more facile on Au at the interfacial site than other surface Au atoms. Implication of these results to the selective acetone formation in the oxidation of propane in the presence of a O2/H2 mixture was discussed.

Interfacial assembly structures and nanotribological properties of saccharic acids.

Science.gov (United States)

Shi, Hongyu; Liu, Yuhong; Zeng, Qingdao; Yang, Yanlian; Wang, Chen; Lu, Xinchun

2017-01-04

Saccharides have been recognized as potential bio-lubricants because of their good hydration ability. However, the interfacial structures of saccharides and their derivatives are rarely studied and the molecular details of interaction mechanisms have not been well understood. In this paper, the supramolecular assembly structures of saccharic acids (including galactaric acid and lactobionic acid), mediated by hydrogen bonds O-HN and O-HO, were successfully constructed on a highly oriented pyrolytic graphite (HOPG) surface by introducing pyridine modulators and were explicitly revealed by using scanning tunneling microscopy (STM). Furthermore, friction forces were measured in the saccharic acid/pyridine co-assembled system by atomic force microscopy (AFM), revealing a larger value than a pristine saccharic acid system, which could be attributed to the stronger tip-assembled molecule interactions that lead to the higher potential energy barrier needed to overcome. The effort on saccharide-related supramolecular self-assembly and nanotribological behavior could provide a novel and promising pathway to explore the interaction mechanisms underlying friction and reveal the structure-property relationship at the molecular level.

Exchange bias induced at a Co2FeAl0.5Si0.5/Cr interface

International Nuclear Information System (INIS)

Yu, C N T; Vick, A J; Inami, N; Ono, K; Frost, W; Hirohata, A

2017-01-01

In order to engineer the strength of an exchange bias in a cubic Heusler alloy layer, crystalline strain has been induced at a ferromagnet/antiferromagnet interface by their lattice mismatch in addition to the conventional interfacial exchange coupling between them. Such interfaces have been formed in (Co 2 FeAl 0.5 Si 0.5 (CFAS)/Cr) 3 structures grown by ultrahigh vacuum molecular beam epitaxy. The magnetic and structural properties have been characterised to investigate the exchange interactions at the CFAS/Cr interfaces. Due to the interfacial lattice mismatch of 1.4%, the maximum offset of 18 Oe in a magnetisation curve has been measured for the case of a CFAS (2 nm)/Cr (0.9 nm) interface at 193 K. The half-metallic property of CFAS has been observed to remain unchanged, which agrees with the theoretical prediction by Culbert et al (2008 J. Appl. Phys . 103 07D707). Such a strain-induced exchange bias may provide insight of the interfacial interactions and may offer a wide flexibility in spintronic device design. (paper)

Study of structural, electronic and magnetic properties of CoFeIn and Co2FeIn Heusler alloys

International Nuclear Information System (INIS)

El Amine Monir, M.; Khenata, R.; Baltache, H.; Murtaza, G.; Abu-Jafar, M.S.; Bouhemadou, A.; Bin Omran, S.

2015-01-01

The structural, electronic and magnetic properties of half-Heusler CoFeIn and full-Heusler Co 2 FeIn alloys have been investigated by using the state of the art full-potential linearized augmented plane wave (FP-LAPW) method. The exchange-correlation potential was treated with the generalized gradient approximation (PBE-GGA) for the calculation of the structural properties, whereas the PBE-GGA+U approximation (where U is the Hubbard Coulomb energy term) is applied for the computation of the electronic and magnetic properties in order to treat the “d” electrons. The structural properties have been calculated in the paramagnetic and ferromagnetic phases where we have found that both the CoFeIn and Co 2 FeIn alloys have a stable ferromagnetic phase. The obtained results of the spin-polarized band structure and the density of states show that the CoFeIn alloy is a metal and the Co 2 FeIn alloy has a complete half-metallic nature. Through the obtained values of the total spin magnetic moment, we conclude that in general, the Co 2 FeIn alloy is half-metallic ferromagnet material whereas the CoFeIn alloy has a metallic nature. - Highlights: • Based on DFT calculations, CoFeIn and Co2FeIn Heusler alloys were investigated. • The magnetic phase stability was determined from the total energy calculations. • Electronic properties reveal the metallic (half-metallic) nature for CoFeIn (Co2FeIn)

An insight into intrinsic interfacial properties between Li metals and Li10GeP2S12 solid electrolytes.

Science.gov (United States)

Chen, Bingbing; Ju, Jiangwei; Ma, Jun; Zhang, Jianjun; Xiao, Ruijuan; Cui, Guanglei; Chen, Liquan

2017-11-29

Density functional theory simulations and experimental studies were performed to investigate the interfacial properties, including lithium ion migration kinetics, between lithium metal anode and solid electrolyte Li 10 GeP 2 S 12 (LGPS). The LGPS[001] plane was chosen as the studied surface because the easiest Li + migration pathway is along this direction. The electronic structure of the surface states indicated that the electrochemical stability was reduced at both the PS 4 - and GeS 4 -teminated surfaces. For the interface cases, the equilibrium interfacial structures of lithium metal against the PS 4 -terminated LGPS[001] surface (Li/PS 4 -LGPS) and the GeS 4 -terminated LGPS[001] surface (Li/GeS 4 -LGPS) were revealed based on the structural relaxation and adhesion energy analysis. Solid electrolyte interphases were expected to be formed at both Li/PS 4 -LGPS and Li/GeS 4 -LGPS interfaces, resulting in an unstable state of interface and large interfacial resistance, which was verified by the EIS results of the Li/LGPS/Li cell. In addition, the simulations of the migration kinetics show that the energy barriers for Li + crossing the Li/GeS 4 -LGPS interface were relatively low compared with the Li/PS 4 -LGPS interface. This may contribute to the formation of Ge-rich phases at the Li/LGPS interface, which can tune the interfacial structures to improve the ionic conductivity for future all-solid-state batteries. This work will offer a thorough understanding of the Li/LGPS interface, including local structures, electronic states and Li + diffusion behaviors in all-solid-state batteries.

Interfacial microstructure and mechanical property of Ti6Al4V/A6061 dissimilar joint by direct laser brazing without filler metal and groove

International Nuclear Information System (INIS)

Song, Zhihua; Nakata, Kazuhiro; Wu, Aiping; Liao, Jinsun

2013-01-01

Laser brazing of Ti6Al4V and A6061-T6 alloys with 2 mm thickness was conducted by focusing laser beam on aluminum alloy side, and the effect of laser offset distance on microstructure and mechanical properties of the dissimilar butt joint was investigated. Laser offset has a great influence on the thickness of interfacial intermetallic compound (IMC) layer and the mechanical property of joint. The thickness of interfacial IMC layer is less than 500 nm, and the average tensile strength of the joint reaches 64% of aluminum base material strength, when suitable welding conditions are used. The interfacial IMC is TiAl 3 . The formation of interfacial IMC layer and its effect on mechanical property of the joint are discussed in the present study.

Cheminformatics Modeling of Amine Solutions for Assessing their CO2 Absorption Properties.

Science.gov (United States)

Kuenemann, Melaine A; Fourches, Denis

2017-07-01

As stricter regulations on CO 2 emissions are adopted worldwide, identifying efficient chemical processes to capture and recycle CO 2 is of critical importance for industry. The most common process known as amine scrubbing suffers from the lack of available amine solutions capable of capturing CO 2 efficiently. Tertiary amines characterized by low heats of reaction are considered good candidates but their absorption properties can significantly differ from one analogue to another despite high structural similarity. Herein, after collecting and curating experimental data from the literature, we have built a modeling set of 41 amine structures with their absorption properties. Then we analyzed their chemical composition using molecular descriptors and non-supervised clustering. Furthermore, we developed a series of quantitative structure-property relationships (QSPR) to assess amines' CO 2 absorption properties from their structural characteristics. These models afforded reasonable prediction performances (e. g., Q 2 LOO =0.63 for CO 2 absorption amount) even though they are solely based on 2D chemical descriptors and individual machine learning techniques (random forest and neural network). Overall, we believe the chemical analysis and the series of QSPR models presented in this proof-of-concept study represent new knowledge and innovative tools that could be very useful for screening and prioritizing hypothetical amines to be synthesized and tested experimentally for their CO 2 absorption properties. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effect of chemical treatment of Kevlar fibers on mechanical interfacial properties of composites.

Science.gov (United States)

Park, Soo-Jin; Seo, Min-Kang; Ma, Tae-Jun; Lee, Douk-Rae

2002-08-01

In this work, the effects of chemical treatment on Kevlar 29 fibers have been studied in a composite system. The surface characteristics of Kevlar 29 fibers were characterized by pH, acid-base value, X-ray photoelectron spectroscopy (XPS), and FT-IR. The mechanical interfacial properties of the final composites were studied by interlaminar shear strength (ILSS), critical stress intensity factor (K(IC)), and specific fracture energy (G(IC)). Also, impact properties of the composites were investigated in the context of differentiating between initiation and propagation energies and ductile index (DI) along with maximum force and total energy. As a result, it was found that chemical treatment with phosphoric acid solution significantly affected the degree of adhesion at interfaces between fibers and resin matrix, resulting in improved mechanical interfacial strength in the composites. This was probably due to the presence of chemical polar groups on Kevlar surfaces, leading to an increment of interfacial binding force between fibers and matrix in a composite system.

First-principles calculations of bulk and interfacial thermodynamic properties for fcc-based Al-Sc alloys

International Nuclear Information System (INIS)

Asta, M.; Foiles, S.M.; Quong, A.A.

1998-01-01

The configurational thermodynamic properties of fcc-based Al-Sc alloys and coherent Al/Al 3 Sc interphase-boundary interfaces have been calculated from first principles. The computational approach used in this study combines the results of pseudopotential total-energy calculations with a cluster-expansion description of the alloy energetics. Bulk and interface configurational-thermodynamic properties are computed using a low-temperature-expansion technique. Calculated values of the {100} and {111} Al/Al 3 Sc interfacial energies at zero temperature are, respectively, 192 and 226mJ/m 2 . The temperature dependence of the calculated interfacial free energies is found to be very weak for {100} and more appreciable for {111} orientations; the primary effect of configurational disordering at finite temperature is to reduce the degree of crystallographic anisotropy associated with calculated interfacial free energies. The first-principles-computed solid-solubility limits for Sc in bulk fcc Al are found to be underestimated significantly in comparison with experimental measurements. It is argued that this discrepancy can be largely attributed to nonconfigurational contributions to the entropy which have been neglected in the present thermodynamic calculations. copyright 1998 The American Physical Society

Hybrid of Co(3)Sn(2)@Co nanoparticles and nitrogen-doped graphene as a lithium ion battery anode.

Science.gov (United States)

Mahmood, Nasir; Zhang, Chenzhen; Liu, Fei; Zhu, Jinghan; Hou, Yanglong

2013-11-26

A facile strategy was designed for the fabrication of hybrid of Co3Sn2@Co nanoparticles (NPs) and nitrogen-doped graphene (NG) sheets through a hydrothermal synthesis, followed by annealing process. Core-shell architecture of Co3Sn2@Co pin on NG is designed for the dual encapsulation of Co3Sn2 with adaptable ensembles of Co and NG to address the structural and interfacial stability concerns facing tin-based anodes. In the resulted unique architecture of Co3Sn2@Co-NG hybrid, the sealed cobalt cover prevents the direct exposer of Sn with electrolyte because of encapsulated structure and keeps the structural and interfacial integrity of Co3Sn2. However, the elastically strong, flexible and conductive NG overcoat accommodates the volume changes and therefore brings the structural and electrical stabilization of Co3Sn2@Co NPs. As a result, Co3Sn2@Co-NG hybrid exhibits extraordinary reversible capacity of 1615 mAh/g at 250 mA/g after 100 cycles with excellent capacity retention of 102%. The hybrid bears superior rate capability with reversible capacity of 793.9 mAh/g at 2500 mA/g and Coulombic efficiency nearly 100%.

Optimization of interfacial properties of carbon fiber/epoxy composites via a modified polyacrylate emulsion sizing

Energy Technology Data Exchange (ETDEWEB)

Yuan, Xiaomin [Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials (Ministry of Education), Shandong University, Jinan 250061 (China); Carbon Fiber Engineering Research Center, School of Materials Science and Engineering, Shandong University, Jinan 250061 (China); Zhu, Bo, E-mail: zhubo@sdu.edu.cn [Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials (Ministry of Education), Shandong University, Jinan 250061 (China); Carbon Fiber Engineering Research Center, School of Materials Science and Engineering, Shandong University, Jinan 250061 (China); Cai, Xun, E-mail: caixunzh@sdu.edu.cn [School of Computer Science and Technology, Shandong University, Jinan 250101 (China); Liu, Jianjun [Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials (Ministry of Education), Shandong University, Jinan 250061 (China); Carbon Fiber Engineering Research Center, School of Materials Science and Engineering, Shandong University, Jinan 250061 (China); Qiao, Kun [Carbon Fiber Engineering Research Center, School of Materials Science and Engineering, Shandong University, Jinan 250061 (China); Yu, Junwei [Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials (Ministry of Education), Shandong University, Jinan 250061 (China); Carbon Fiber Engineering Research Center, School of Materials Science and Engineering, Shandong University, Jinan 250061 (China)

2017-04-15

Highlights: • An improved interfacial adhesion in CF/EP composite by FSMPA sizing was put forward. • Sized CFs featured promotions of wettability, chemical activity and mechanical property. • A sizing mechanism containing chemical interaction and physical absorption was proposed. - Abstract: The adhesion behavior of epoxy resin to carbon fibers has always been a challenge, on account of the inertness of carbon fibers and the lack of reactive functional groups. In this work, a modified polyacrylate sizing agent was prepared to modify the interface between the carbon fiber and the epoxy matrix. The surface characteristics of carbon fibers were investigated to determine chemical composition, morphology, wettability, interfacial phase analysis and interfacial adhesion. Sized carbon fibers featured improved wettability and a slightly decreased surface roughness due to the coverage of a smooth sizing layer, compared with the unsized ones. Moreover, the content of surface activated carbon atoms increased from 12.65% to 24.70% and the interlaminar shear strength (ILSS) of carbon fiber/epoxy composites raised by 14.2%, indicating a significant improvement of chemical activity and mechanical property. SEM images of the fractured surface of composites further proved that a gradient interfacial structure with increased thicknesses was formed due to the transition role of the sizing. Based on these results, a sizing mechanism consisting of chemical interaction bonding and physical force absorption was proposed, which provides an efficient and feasible method to solve the poor adhesion between carbon fiber and epoxy matrix.

Optimization of interfacial properties of carbon fiber/epoxy composites via a modified polyacrylate emulsion sizing

International Nuclear Information System (INIS)

Yuan, Xiaomin; Zhu, Bo; Cai, Xun; Liu, Jianjun; Qiao, Kun; Yu, Junwei

2017-01-01

Highlights: • An improved interfacial adhesion in CF/EP composite by FSMPA sizing was put forward. • Sized CFs featured promotions of wettability, chemical activity and mechanical property. • A sizing mechanism containing chemical interaction and physical absorption was proposed. - Abstract: The adhesion behavior of epoxy resin to carbon fibers has always been a challenge, on account of the inertness of carbon fibers and the lack of reactive functional groups. In this work, a modified polyacrylate sizing agent was prepared to modify the interface between the carbon fiber and the epoxy matrix. The surface characteristics of carbon fibers were investigated to determine chemical composition, morphology, wettability, interfacial phase analysis and interfacial adhesion. Sized carbon fibers featured improved wettability and a slightly decreased surface roughness due to the coverage of a smooth sizing layer, compared with the unsized ones. Moreover, the content of surface activated carbon atoms increased from 12.65% to 24.70% and the interlaminar shear strength (ILSS) of carbon fiber/epoxy composites raised by 14.2%, indicating a significant improvement of chemical activity and mechanical property. SEM images of the fractured surface of composites further proved that a gradient interfacial structure with increased thicknesses was formed due to the transition role of the sizing. Based on these results, a sizing mechanism consisting of chemical interaction bonding and physical force absorption was proposed, which provides an efficient and feasible method to solve the poor adhesion between carbon fiber and epoxy matrix.

Pore scale study of multiphase multicomponent reactive transport during CO2 dissolution trapping

Science.gov (United States)

Chen, Li; Wang, Mengyi; Kang, Qinjun; Tao, Wenquan

2018-06-01

Solubility trapping is crucial for permanent CO2 sequestration in deep saline aquifers. For the first time, a pore-scale numerical method is developed to investigate coupled scCO2-water two-phase flow, multicomponent (CO2(aq), H+, HCO3-, CO32- and OH-) mass transport, heterogeneous interfacial dissolution reaction, and homogeneous dissociation reactions. Pore-scale details of evolutions of multiphase distributions and concentration fields are presented and discussed. Time evolutions of several variables including averaged CO2(aq) concentration, scCO2 saturation, and pH value are analyzed. Specific interfacial length, an important variable which cannot be determined but is required by continuum models, is investigated in detail. Mass transport coefficient or efficient dissolution rate is also evaluated. The pore-scale results show strong non-equilibrium characteristics during solubility trapping due to non-uniform distributions of multiphase as well as slow mass transport process. Complicated coupling mechanisms between multiphase flow, mass transport and chemical reactions are also revealed. Finally, effects of wettability are also studied. The pore-scale studies provide deep understanding of non-linear non-equilibrium multiple physicochemical processes during CO2 solubility trapping processes, and also allow to quantitatively predict some important empirical relationships, such as saturation-interfacial surface area, for continuum models.

Interfacial symmetry of Co–Alq{sub 3}–Co hybrid structures for effective spin filtering

Energy Technology Data Exchange (ETDEWEB)

Lam, Tu-Ngoc [Department of Materials Science and Engineering, National Chiao Tung University, Hsinchu 30010, Taiwan, ROC (China); Lai, Yu-Ling; Chen, Chih-Han [National Synchrotron Radiation Research Center, 101 Hsin-Ann Road, Hsinchu Science Park, Hsinchu 30076, Taiwan, ROC (China); Chen, Po-Hung [Department of Engineering and System Science, National Tsing Hua University, Hsinchu 30013, Taiwan, ROC (China); Wei, Der-Hsin; Lin, Hong-Ji; Chen, C.T. [National Synchrotron Radiation Research Center, 101 Hsin-Ann Road, Hsinchu Science Park, Hsinchu 30076, Taiwan, ROC (China); Sheu, Jeng-Tzong, E-mail: jtsheu@faculty.nctu.edu.tw [Department of Materials Science and Engineering, National Chiao Tung University, Hsinchu 30010, Taiwan, ROC (China); Hsu, Yao-Jane, E-mail: yjhsu@nsrrc.org.tw [National Synchrotron Radiation Research Center, 101 Hsin-Ann Road, Hsinchu Science Park, Hsinchu 30076, Taiwan, ROC (China); Institute of Electro-Optical Science and Engineering, National Cheng Kung University, Tainan 701, Taiwan, ROC (China)

2015-11-01

Graphical abstract: - Highlights: • The spin interface at Alq{sub 3}/Co and Co/Alq{sub 3} contacts was examined. • An interfacial symmetry was determined at Co–Alq{sub 3}–Co interfaces. • Spin-polarized N orbitals are induced within the Co atop Alq{sub 3} hybridized interface. • The spin-filter role at the top contact interface of Alq{sub 3}/Co is proved. • Effective spin-filtering at Co–Alq{sub 3}–Co contacts was elucidated. - Abstract: Understanding the interfacial behavior at FM-OSC-FM hybrid structures for both the bottom contact (Alq{sub 3} adsorption on Co, Co/Alq{sub 3}) and the top contact (Co atop Alq{sub 3}, Alq{sub 3}/Co) is crucial for efficient spin filtering with transport of spin-polarized charge carriers through these interfaces. X-ray photoelectron spectroscopy (XPS) spectra indicate a symmetry of charge transfer from Co to Alq{sub 3} and the corresponding orbital hybridization to a certain extent at both contacts. The alignment of energy levels at both Alq{sub 3}/Co and Co/Alq{sub 3} heterostructures is depicted with ultraviolet photoelectron spectroscopy (UPS). Through magnetic images acquired with a X-ray photoemission electron microscope (XPEEM), the strong hybridization of the top contact presents no micromagnetic domain but still shows magnetic coupling, to some extent, to the bottom contact in the Co–Alq{sub 3}–Co trilayer structure. Measurements of X-ray magnetic circular dichroism (XMCD) demonstrate the induced spin-polarization of non-magnetic Alq{sub 3} at both contacts, proving Alq{sub 3} a unique and promising organic material for spin filtering in OSV.

Microstructure of buried CoSi2 layers formed by high-dose Co implantation into (100) and (111) Si substrates

International Nuclear Information System (INIS)

Bulle-Lieuwma, C.W.T.; Van Ommen, A.H.; Vandenhoudt, D.E.W.; Ottenheim, J.J.M.; de Jong, A.F.

1991-01-01

Heteroepitaxial Si/CoSi 2 /Si structures have been synthesized by implanting 170-keV Co + with doses in the range 1--3x10 17 Co + ions/cm 2 into (100) and (111) Si substrates and subsequent annealing. The microstructure of both the as-implanted and annealed structures is investigated in great detail by transmission electron microscopy, high-resolution electron microscopy, and x-ray diffraction. In the as-implanted samples, the Co is present as CoSi 2 precipitates, occurring both in aligned (A-type) and twinned (B-type) orientation. For the highest dose, a continuous layer of stoichiometric CoSi 2 is already formed during implantation. It is found that the formation of a connected layer, already during implantation, is crucial for the formation of a buried CoSi 2 layer upon subsequent annealing. Particular attention is given to the coordination of the interfacial Co atoms at the Si/CoSi 2 (111) interfaces of both types of precipitates. We find that the interfacial Co atoms at the A-type interfaces are fully sevenfold coordinated, whereas at the B-type interfaces they appear to be eightfold coordinated

Interfacial chemical and electronic structure of cobalt deposition on 2,7-dioctyl[1]benzothieno[3,2-b]benzothiophene (C8-BTBT)

Energy Technology Data Exchange (ETDEWEB)

Zhu, Menglong; Lyu, Lu [Institute of Super-Microstructure and Ultrafast Process in Advanced Materials, School of Physics and Electronics, Central South University, Changsha, Hunan 410083 (China); Hunan Key Laboratory for Super-Microstructure and Ultrafast Process, School of Physics and Electronics, Central South University, Changsha, Hunan 410083 (China); Niu, Dongmei, E-mail: mayee@csu.edu.cn [Institute of Super-Microstructure and Ultrafast Process in Advanced Materials, School of Physics and Electronics, Central South University, Changsha, Hunan 410083 (China); Hunan Key Laboratory for Super-Microstructure and Ultrafast Process, School of Physics and Electronics, Central South University, Changsha, Hunan 410083 (China); Zhang, Hong; Zhang, Yuhe; Liu, Peng [Institute of Super-Microstructure and Ultrafast Process in Advanced Materials, School of Physics and Electronics, Central South University, Changsha, Hunan 410083 (China); Hunan Key Laboratory for Super-Microstructure and Ultrafast Process, School of Physics and Electronics, Central South University, Changsha, Hunan 410083 (China); Gao, Yongli, E-mail: ygao@pas.rochester.edu [Institute of Super-Microstructure and Ultrafast Process in Advanced Materials, School of Physics and Electronics, Central South University, Changsha, Hunan 410083 (China); Hunan Key Laboratory for Super-Microstructure and Ultrafast Process, School of Physics and Electronics, Central South University, Changsha, Hunan 410083 (China); Department of Physics and Astronomy, University of Rochester, Rochester NY14627 (United States)

2017-04-30

Highlights: • Chemical reaction and band bending at the interface are confirmed by the UPS and XPS. • Co atoms mostly accumulate at or near the interface and penetration into sublayer is weak. • The electron and hole barriers are too high and interfacial buffer layer is needed for device design. - Abstract: Interfacial chemical and electronic structure of Co deposition on 2,7-dioctyl[1]benzothieno[3,2-b]benzothiophene(C8-BTBT) was investigated by ultraviolet photoemission spectroscopy (UPS) and X-ray photoemission spectroscopy (XPS). Chemical reaction of cobalt with C8-BTBT at the interface is confirmed by a new component of S 2s peak which is electron-rich compared to the original one of C8-BTBT molecules. Intensity evolution of the core level in XPS indicates that the adsorption of Co atoms is mainly at the surface without deeper diffusion into C8-BTBT layer. Initial deposition of Co atoms downward shifts the core levels of C8-BTBT by electron transfer from isolated Co atoms or clusters to the C8-BTBT. Further deposition of Co upward shifts the core levels of C8-BTBT because of the neutralization of the thicker metal Co film. Our investigation suggests an inert buffer layer inserted to protect organic layer from reaction or decomposition and to lower the carrier barriers for both the electron and hole to improve the performance of Co/C8-BTBT-based OFETs.

Interfacial chemical and electronic structure of cobalt deposition on 2,7-dioctyl[1]benzothieno[3,2-b]benzothiophene (C8-BTBT)

International Nuclear Information System (INIS)

Zhu, Menglong; Lyu, Lu; Niu, Dongmei; Zhang, Hong; Zhang, Yuhe; Liu, Peng; Gao, Yongli

2017-01-01

Highlights: • Chemical reaction and band bending at the interface are confirmed by the UPS and XPS. • Co atoms mostly accumulate at or near the interface and penetration into sublayer is weak. • The electron and hole barriers are too high and interfacial buffer layer is needed for device design. - Abstract: Interfacial chemical and electronic structure of Co deposition on 2,7-dioctyl[1]benzothieno[3,2-b]benzothiophene(C8-BTBT) was investigated by ultraviolet photoemission spectroscopy (UPS) and X-ray photoemission spectroscopy (XPS). Chemical reaction of cobalt with C8-BTBT at the interface is confirmed by a new component of S 2s peak which is electron-rich compared to the original one of C8-BTBT molecules. Intensity evolution of the core level in XPS indicates that the adsorption of Co atoms is mainly at the surface without deeper diffusion into C8-BTBT layer. Initial deposition of Co atoms downward shifts the core levels of C8-BTBT by electron transfer from isolated Co atoms or clusters to the C8-BTBT. Further deposition of Co upward shifts the core levels of C8-BTBT because of the neutralization of the thicker metal Co film. Our investigation suggests an inert buffer layer inserted to protect organic layer from reaction or decomposition and to lower the carrier barriers for both the electron and hole to improve the performance of Co/C8-BTBT-based OFETs.

The microwave absorbing properties of SmCo attached single wall carbon nanotube/epoxy composites

International Nuclear Information System (INIS)

Yu, Liming; Li, Bo; Sheng, Leimei; An, Kang; Zhao, Xinluo

2013-01-01

Highlights: •The SmCo nanoparticles attached SWCNTs were prepared by dc arc discharge method. •The nano-composite prepared by a rare earth permanent magnet Sm 2 Co 17 as catalyst. •The SmCo attached SWCNT/epoxy composites have an excellent electromagnetic matching characteristics. •The reflection loss and bandwidth below −20 dB of the composite can reach −23.7 dB, 6.2 GHz, respectively. -- Abstract: The SmCo nanoparticles attached single wall carbon nanotubes (SmCo attached SWCNTs) were prepared by hydrogen dc arc discharge method using 2:17 type SmCo permanent powder as catalyst. The SmCo attached SWCNT/epoxy composites with different doping ratios were investigated in the frequency region of 2–18 GHz. The complex permittivity and permeability of the SmCo attached SWCNT/epoxy composites were calculated. The reflection loss properties were simulated by transmission line theory and the microwave absorptive mechanisms were discussed. The results indicate that, due to the better interfacial polarization absorption mechanism of SmCo attached SWCNTs and the electromagnetic (EM) matching of magnetic loss and dielectric loss, the microwave absorption properties of SmCo attached SWCNT/epoxy are evidently improved. When the SmCo attached SWCNTs is doped by 1 wt%, the composite display a larger and wider absorption peak, and the bandwidth of the reflection loss below −20 dB is larger than 6 GHz with the thickness of 3.3 mm. It is expected that the new SmCo attached SWCNT/epoxy composites will be a good microwave absorbing material for the applications in X band, Ku band, or even K band

Interfacial rheological properties of adsorbed protein layers and surfactants : a review

NARCIS (Netherlands)

Bos, M.A.; Vliet, T. van

2001-01-01

Proteins and low molecular weight (LMW) surfactants are widely used for the physical stabilisation of many emulsions and foam based food products. The formation and stabilisation of these emulsions and foams depend strongly on the interfacial properties of the proteins and the LMW surfactants.

Study of structural, electronic and magnetic properties of CoFeIn and Co{sub 2}FeIn Heusler alloys

Energy Technology Data Exchange (ETDEWEB)

El Amine Monir, M. [Laboratoire de Physique Quantique de la Matière et de la Modélisation Mathématique (LPQ3M), Faculté des Sciences, Université de Mascara, Mascara 29000 (Algeria); Khenata, R., E-mail: khenata_rabah@yahoo.fr [Laboratoire de Physique Quantique de la Matière et de la Modélisation Mathématique (LPQ3M), Faculté des Sciences, Université de Mascara, Mascara 29000 (Algeria); Baltache, H. [Laboratoire de Physique Quantique de la Matière et de la Modélisation Mathématique (LPQ3M), Faculté des Sciences, Université de Mascara, Mascara 29000 (Algeria); Murtaza, G., E-mail: murtaza@icp.edu.pk [Materials Modeling Lab, Department of Physics, Islamia College University, Peshawar (Pakistan); Abu-Jafar, M.S., E-mail: mabujafar@najah.edu [Dipartimento di Fisica Universita di Roma ' La Sapienza' , Roma (Italy); Department of Physics, An-Najah N. University, Nablus, Palestine (Country Unknown); Bouhemadou, A. [Laboratory for Developing New Materials and their Characterization, Department of Physics, Faculty of Science, University of Setif, 19000 Setif (Algeria); Bin Omran, S. [Department of Physics and Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia); and others

2015-11-15

The structural, electronic and magnetic properties of half-Heusler CoFeIn and full-Heusler Co{sub 2}FeIn alloys have been investigated by using the state of the art full-potential linearized augmented plane wave (FP-LAPW) method. The exchange-correlation potential was treated with the generalized gradient approximation (PBE-GGA) for the calculation of the structural properties, whereas the PBE-GGA+U approximation (where U is the Hubbard Coulomb energy term) is applied for the computation of the electronic and magnetic properties in order to treat the “d” electrons. The structural properties have been calculated in the paramagnetic and ferromagnetic phases where we have found that both the CoFeIn and Co{sub 2}FeIn alloys have a stable ferromagnetic phase. The obtained results of the spin-polarized band structure and the density of states show that the CoFeIn alloy is a metal and the Co{sub 2}FeIn alloy has a complete half-metallic nature. Through the obtained values of the total spin magnetic moment, we conclude that in general, the Co{sub 2}FeIn alloy is half-metallic ferromagnet material whereas the CoFeIn alloy has a metallic nature. - Highlights: • Based on DFT calculations, CoFeIn and Co2FeIn Heusler alloys were investigated. • The magnetic phase stability was determined from the total energy calculations. • Electronic properties reveal the metallic (half-metallic) nature for CoFeIn (Co2FeIn)

Insights into the role of protein molecule size and structure on interfacial properties using designed sequences

Science.gov (United States)

Dwyer, Mirjana Dimitrijev; He, Lizhong; James, Michael; Nelson, Andrew; Middelberg, Anton P. J.

2013-01-01

Mixtures of a large, structured protein with a smaller, unstructured component are inherently complex and hard to characterize at interfaces, leading to difficulties in understanding their interfacial behaviours and, therefore, formulation optimization. Here, we investigated interfacial properties of such a mixed system. Simplicity was achieved using designed sequences in which chemical differences had been eliminated to isolate the effect of molecular size and structure, namely a short unstructured peptide (DAMP1) and its longer structured protein concatamer (DAMP4). Interfacial tension measurements suggested that the size and bulk structuring of the larger molecule led to much slower adsorption kinetics. Neutron reflectometry at equilibrium revealed that both molecules adsorbed as a monolayer to the air–water interface (indicating unfolding of DAMP4 to give a chain of four connected DAMP1 molecules), with a concentration ratio equal to that in the bulk. This suggests the overall free energy of adsorption is equal despite differences in size and bulk structure. At small interfacial extensional strains, only molecule packing influenced the stress response. At larger strains, the effect of size became apparent, with DAMP4 registering a higher stress response and interfacial elasticity. When both components were present at the interface, most stress-dissipating movement was achieved by DAMP1. This work thus provides insights into the role of proteins' molecular size and structure on their interfacial properties, and the designed sequences introduced here can serve as effective tools for interfacial studies of proteins and polymers. PMID:23303222

Thermal and mechanical interfacial properties of epoxy composites based on functionalized carbon nanotubes

International Nuclear Information System (INIS)

Jin Fanlong; Ma Changjie; Park, Soo-Jin

2011-01-01

Highlights: → CNTs were functionalized by acid and amine treatments. → Epoxy resin/CNT composites were prepared. → T g of the composites increased by about 10 deg. C compared to neat epoxy resins. → Toughness of the composites was significantly improved by the addition of functionalized CNTs. - Abstract: Carbon nanotubes (CNTs) were treated by a mixture of acid and functionalized subsequently by amine treatment to improve interfacial interactions and dispersion of CNTs in epoxy matrix. The thermal stabilities and mechanical interfacial properties of epoxy/CNT composites were investigated using several techniques. The dispersion state of CNTs in the epoxy matrix was observed by scanning electron microscope (SEM) and transmission electron microscopy (TEM). As a result, the glass transition temperature of epoxy/CNT composites increased by about 11 deg. C compared to neat epoxy resins. The mechanical interfacial property of the composites was significantly increased by the addition of amine treated CNTs. The SEM and TEM results showed that the separation and uniform dispersion of CNTs in the epoxy matrix.

Assessment of CO2 Mineralization and Dynamic Rock Properties at the Kemper Pilot CO2 Injection Site

Science.gov (United States)

Qin, F.; Kirkland, B. L.; Beckingham, L. E.

2017-12-01

CO2-brine-mineral reactions following CO2 injection may impact rock properties including porosity, permeability, and pore connectivity. The rate and extent of alteration largely depends on the nature and evolution of reactive mineral interfaces. In this work, the potential for geochemical reactions and the nature of the reactive mineral interface and corresponding hydrologic properties are evaluated for samples from the Lower Tuscaloosa, Washita-Fredericksburg, and Paluxy formations. These formations have been identified as future regionally extensive and attractive CO2 storage reservoirs at the CO2 Storage Complex in Kemper County, Mississippi, USA (Project ECO2S). Samples from these formations were obtained from the Geological Survey of Alabama and evaluated using a suite of complementary analyses. The mineral composition of these samples will be determined using petrography and powder X-ray Diffraction (XRD). Using these compositions, continuum-scale reactive transport simulations will be developed and the potential CO2-brine-mineral interactions will be examined. Simulations will focus on identifying potential reactive minerals as well as the corresponding rate and extent of reactions. The spatial distribution and accessibility of minerals to reactive fluids is critical to understanding mineral reaction rates and corresponding changes in the pore structure, including pore connectivity, porosity and permeability. The nature of the pore-mineral interface, and distribution of reactive minerals, will be determined through imaging analysis. Multiple 2D scanning electron microscopy (SEM) backscattered electron (BSE) images and energy dispersive x-ray spectroscopy (EDS) images will be used to create spatial maps of mineral distributions. These maps will be processed to evaluate the accessibility of reactive minerals and the potential for flow-path modifications following CO2 injection. The "Establishing an Early CO2 Storage Complex in Kemper, MS" project is funded by

New RO TFC Membranes by Interfacial Polymerization in n-Dodecane with Various co-Solvents.

Science.gov (United States)

Al-Hobaib, Abdullah Sulaiman; Al-Suhybani, Mohammed Sulaiman; Al-Sheetan, Khalid Mohammed; Mousa, Hasan; Shaik, Mohammed Rafi

2016-04-29

The objective of this research is to prepare and characterize a new and highly efficient polyamide TFC RO membrane by interfacial polymerization in dodecane solvent mixed with co-solvents. Three co-solvents were tested namely; acetone, ethyl acetate, and diethyl ether of concentration of 0.5, 1, 2, 3, and 5 wt %. The modified membranes were characterized by SEM, EDX, AFM and contact angle techniques. The results showed that addition of co-solvent results in a decrease in the roughness, pore size and thickness of the produced membranes. However, as the concentration of the co-solvent increases the pore size of the membranes gets larger. Among the three co-solvents tested, acetone was found to result in membranes with the largest pore size and contact angle followed by diethyl ether then ethyl acetate. Measured contact angle increases as the concentration of the co-solvent increases reaching a constant value except for ethyl acetate where it was found to drop. Investigating flux and salt rejection by the formulated membranes showed that higher flux was attained when acetone was used as a co-solvent followed by diethyl ether then ethyl acetate. However, the highest salt rejection was achieved with diethyl ether.

Effects of interfacial Fe electronic structures on magnetic and electronic transport properties in oxide/NiFe/oxide heterostructures

International Nuclear Information System (INIS)

Liu, Qianqian; Chen, Xi; Zhang, Jing-Yan; Yang, Meiyin; Li, Xu-Jing; Jiang, Shao-Long; Liu, Yi-Wei; Cao, Yi; Wu, Zheng-Long; Feng, Chun; Ding, Lei; Yu, Guang-Hua

2015-01-01

Highlights: • The magnetic and transport properties of oxide/NiFe/oxide films were studied. • The oxide (SiO 2 , MgO and HfO 2 ) has different elemental electronegativity. • Redox reaction at different NiFe/oxide interface is dependent on the oxide layer. • Different interfacial electronic structures shown by XPS influence the properties. - Abstract: We report that the magnetic and electronic transport properties in oxide/NiFe(2 nm)/oxide film (oxide = SiO 2 , MgO or HfO 2 ) are strongly influenced by the electronic structure of NiFe/oxide interface. Magnetic measurements show that there exist magnetic dead layers in the SiO 2 sandwiched film and MgO sandwiched film, whereas there is no magnetic dead layer in the HfO 2 sandwiched film. Furthermore, in the ultrathin SiO 2 sandwiched film no magnetoresistance (MR) is detected, while in the ultrathin MgO sandwiched film and HfO 2 sandwiched film the MR ratios reach 0.35% and 0.88%, respectively. The investigation by X-ray photoelectron spectroscopy reveals that the distinct interfacial redox reactions, which are dependent on the oxide layers, lead to the variation of magnetic and transport properties in different oxide/NiFe/oxide heterostructures

Fabrication of interfacial functionalized porous polymer monolith and its adsorption properties of copper ions

International Nuclear Information System (INIS)

Han, Jiaxi; Du, Zhongjie; Zou, Wei; Li, Hangquan; Zhang, Chen

2014-01-01

Highlights: • Interface functionalized PGMA porous monolith was fabricated. • The adsorption capacity of Cu 2+ was 35.3 mg/g. • The effects of porous structure on the adsorption of Cu 2+ were studied. • The adsorption behaviors of porous monolith were studied. - Abstract: The interfacial functionalized poly (glycidyl methacrylate) (PGMA) porous monolith was fabricated and applied as a novel porous adsorbent for copper ions (Cu 2+ ). PGMA porous material with highly interconnected pore network was prepared by concentrated emulsion polymerization template. Then polyacrylic acid (PAA) was grafted onto the interface of the porous monolith by the reaction between the epoxy group on PGMA and a carboxyl group on PAA. Finally, the porous monolith was interfacial functionalized by rich amount of carboxyl groups and could adsorb copper ions effectively. The chemical structure and porous morphology of the porous monolith were measured by Fourier transform infrared spectroscopy and scanning electron microscopy. Moreover, the effects of pore size distribution, pH value, co-existing ions, contacting time, and initial concentrations of copper ions on the adsorption capacity of the porous adsorbents were studied

Dynamic modeling of interfacial structures via interfacial area transport equation

International Nuclear Information System (INIS)

Seungjin, Kim; Mamoru, Ishii

2005-01-01

The interfacial area transport equation dynamically models the two-phase flow regime transitions and predicts continuous change of the interfacial area concentration along the flow field. Hence, when employed in the numerical thermal-hydraulic system analysis codes, it eliminates artificial bifurcations stemming from the use of the static flow regime transition criteria. Accounting for the substantial differences in the transport phenomena of various sizes of bubbles, the two-group interfacial area transport equations have been developed. The group 1 equation describes the transport of small-dispersed bubbles that are either distorted or spherical in shapes, and the group 2 equation describes the transport of large cap, slug or churn-turbulent bubbles. The source and sink terms in the right-hand-side of the transport equations have been established by mechanistically modeling the creation and destruction of bubbles due to major bubble interaction mechanisms. In the present paper, the interfacial area transport equations currently available are reviewed to address the feasibility and reliability of the model along with extensive experimental results. These include the data from adiabatic upward air-water two-phase flow in round tubes of various sizes, from a rectangular duct, and from adiabatic co-current downward air-water two-phase flow in round pipes of two sizes. (authors)

Comparison of the interfacial properties of Eugenia uniflora and Triticum vulgaris lectins.

Science.gov (United States)

Andrade, Cesar A S; Oliveira, Maria D L; Santos-Magalhães, Nereide S; Correia, Maria T S; de Melo, Celso P

2009-01-01

We have investigated the interfacial and dielectric properties of EuniSL, a recently purified lectin obtained from seeds of Eugenia uniflora (EuniSL), through surface pressure (Pi) and surface potential (DeltaV) measurements of its floating monolayers at the 2.0interfacial properties of both lectins are strongly dependent upon the pH of bulk phase, in general terms EuniSL monolayers seem to be more structured than those of WGA. At the pH range investigated, the interfacial electric double layer values (Psi(0)) calculated from the surface potential are negative, both for EuniSL and WGA. While for EuniSL definite breakpoints in an otherwise linear dependence of Psi(0) and zeta-potential as a function of pH were detected at pH 6.5, similar changes were observed for WGA at pH 8.5, a value close to the isoelectric point (pI) of this lectin. We have then used electrical impedance spectroscopy to investigate the dielectric characteristics of aqueous solutions of the two lectins, assuming a simple Debye relaxation model, and determined the pI of EuniSL as 6.5. While it is well known that the pI of a protein dispersed as a Langmuir film can be determined by surface potential measurements, our results confirm the use of impedance spectroscopy as a valuable and convenient technique that allows the identification of the pI of proteins directly dispersed in aqueous solutions.

CoFe2O4-SiO2 Composites: Preparation and Magnetodielectric Properties

Directory of Open Access Journals (Sweden)

T. Ramesh

2016-01-01

Full Text Available Cobalt ferrite (CoFe2O4 and silica (SiO2 nanopowders have been prepared by the microwave hydrothermal (M-H method using metal nitrates as precursors of CoFe2O4 and tetraethyl orthosilicate as a precursor of SiO2. The synthesized powders were characterized by XRD and FESEM. The (100-x (CoFe2O4 + xSiO2 (where x = 0%, 10%, 20%, and 30% composites with different weight percentages have been prepared using ball mill method. The composite samples were sintered at 800°C/60 min using the microwave sintering method and then their structural and morphological studies were investigated using X-ray diffraction (XRD, Fourier transformation infrared (FTIR spectra, and scanning electron microscopy (SEM, respectively. The effect of SiO2 content on the magnetic and electrical properties of CoFe2O4/SiO2 nanocomposites has been studied via the magnetic hysteresis loops, complex permeability, permittivity spectra, and DC resistivity measurements. The synthesized nanocomposites with adjustable grain sizes and controllable magnetic properties make the applicability of cobalt ferrite even more versatile.

Atomistic simulations of bulk, surface and interfacial polymer properties

Science.gov (United States)

Natarajan, Upendra

In chapter I, quasi-static molecular mechanics based simulations are used to estimate the activation energy of phenoxy rings flips in the amorphous region of a semicrystalline polyimide. Intra and intermolecular contributions to the flip activation energy, the torsional cooperativity accompanying the flip, and the effect of the flip on the motion in the glassy bulk state, are looked at. Also, comparison of the weighted mean activation energy is made with experimental data from solid state NMR measurements; the simulated value being 17.5 kcal/mol., while the experimental value was observed to be 10.5 kcal/mol. Chapter II deals with construction of random copolymer thin films of styrene-butadiene (SB) and styrene-butadiene-acrylonitrile (SBA). The structure and properties of the free surfaces presented by these thin films are analysed by, the atom mass density profiles, backbone bond orientation function, and the spatial distribution of acrylonitrile groups and styrene rings. The surface energies of SB and SBA are calculated using an atomistic equation and are compared with experimental data in the literature. In chapter III, simulations of polymer-polymer interfaces between like and unlike polymers, specifically cis-polybutadiene (PBD) and atatic polypropylene (PP), are presented. The structure of an incompatible polymer-polymer interface, and the estimation of the thermodynamic work of adhesion and interfacial energy between different incompatible polymers, form the focus here. The work of adhesion is calculated using an atomistic equation and is further used in a macroscopic equation to estimate the interfacial energy. The interfacial energy is compared with typical values for other immiscible systems in the literature. The interfacial energy compared very well with interfacial energy values for a few other immiscible hydrocarbon pairs. In chapter IV, the study proceeds to look at the interactions between nonpolar and polar small molecules with SB and SBA thin

Effect of annealing temperature on the magnetoelectric properties of CoFe{sub 2}O{sub 4}/Pt/Pb(Zr{sub 0.52}Ti{sub 0.48})O{sub 3} multilayer films

Energy Technology Data Exchange (ETDEWEB)

Eum, You Jeong; Hwang, Sung Ok; Koo, Chang Young; Lee, Jai Yeoul; Lee, Hee Young [Yeungnam University, Gyeongsan (Korea, Republic of); Ryu, Jung Ho [Korea Institute of Materials Science, Changwon (Korea, Republic of); Park, Jung Min [Osaka University, Osaka (Japan)

2014-08-15

CoFe{sub 2}O{sub 4}(CoFO)/Pt/Pb(Zr{sub 0.52}Ti{sub 0.48})O{sub 3} (PZT) multilayer films were grown on Pt/Ti/SiO{sub 2}/Si substrates. A thin Pt layer was inserted between the ferrimagnetic and the ferroelectric layers in order to suppress diffusion at high temperatures and thereby to prevent possible interfacial reactions. The effect of annealing on the film's microstructure and multiferroic properties was then investigated using thin film stacks heat-treated at temperatures ranging from 550 to 650 .deg. C. The magnetoelectric coefficients were calculated from the magnetoelectric voltages measured using a magnetoelectric measurement system. The effect of annealing temperature on the magnetoelectric coupling in the CoFO/Pt/PZT multilayer thin film is discussed in detail.

Effects of HfO{sub 2}/Co interface and Co/HfO{sub 2} interface on anomalous Hall behavior in perpendicular Co/Pt multilayers

Energy Technology Data Exchange (ETDEWEB)

Jiang, Shao-Long [Department of Materials Science and Engineering, College of Engineering, Peking University, Beijing 100871 (China); Yang, Guang [Department of Materials Physics and Chemistry, University of Science and Technology Beijing, Beijing 100083 (China); Teng, Jiao, E-mail: tengjiao@mater.ustb.edu.cn [Department of Materials Physics and Chemistry, University of Science and Technology Beijing, Beijing 100083 (China); Guo, Qi-Xun; Liu, Yi-Wei; Li, Xu-Jing [Department of Materials Physics and Chemistry, University of Science and Technology Beijing, Beijing 100083 (China); Yu, Guang-Hua, E-mail: ghyu@mater.ustb.edu.cn [Department of Materials Physics and Chemistry, University of Science and Technology Beijing, Beijing 100083 (China)

2017-07-01

Highlights: • Anomalous Hall effect in perpendicular Co/Pt multilayers is studied. • Thermally stable AHE feature is obtained in [Pt/Co]{sub 3}/HfO{sub 2}/Pt multilayers. • Good thermal stability is due to enhanced intrinsic and side-jump contributions. - Abstract: Effects of the HfO{sub 2}/Co interface and the Co/HfO{sub 2} interface on thermal stability of anomalous Hall effect (AHE) in perpendicular Co/Pt multilayers have been studied. It is observed that thermally stable AHE behavior cannot be obtained in perpendicular Co/Pt multilayers with the HfO{sub 2}/Co interface, mainly due to Co-Pt interdiffusion during annealing. In contrast, thermally stable AHE feature is observed in perpendicular Co/Pt multilayers with the Co/HfO{sub 2} interface despite Co-Pt interdiffusion, which is owing to the enhancement of the side jump and intrinsic contributions to the AHE through interfacial modification after annealing.

Metallurgical and interfacial characterization of PFM Co-Cr dental alloys fabricated via casting, milling or selective laser melting.

Science.gov (United States)

Al Jabbari, Y S; Koutsoukis, T; Barmpagadaki, X; Zinelis, S

2014-04-01

Bulk and interfacial characterization of porcelain fused to metal (PFM) Co-Cr dental alloys fabricated via conventional casting, milling and selective laser melting. Three groups of metallic specimens made of PFM Co-Cr dental alloys were prepared using casting (CST), milling (MIL) and selective laser sintering (SLM). The porosity of the groups was evaluated using X-ray scans. The microstructures of the specimens were evaluated via SEM examination, EDX and XRD analysis. Vickers hardness testing was utilized to measure the hardness of the specimens. Interfacial characterization was conducted on the porcelain-covered specimens from each group to test the elemental distribution with and without the application of INmetalbond. The elemental distribution of the probed elements was assessed using EDX line profile analysis. Hardness results were statistically analyzed using one-way ANOVA and Holm-Sidak's method (α=0.05). X-ray radiography revealed the presence of porosity only in the CST group. Different microstructures were identified among the groups. Together with the γ phase matrix, a second phase, believed to be the Co3Mo phase, was also observed by SEM and subsequent XRD analysis. Cr7C3 and Cr23C6 carbides were also identified via XRD analysis in the CST and MIL groups. The hardness values were 320±12 HV, 297±5 HV and 371±10 HV, and statistically significant differences were evident among the groups. The microstructure and hardness of PFM Co-Cr dental alloys are dependent on the manufacturing technique employed. Given the differences in microstructural and hardness properties among the tested groups, further differences in their clinical behavior are anticipated. Copyright © 2014 Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

ZnO:Ca nanopowders with enhanced CO2 sensing properties

International Nuclear Information System (INIS)

Dhahri, R; Hjiri, M; El Mir, L; Fazio, E; Neri, F; Barreca, F; Donato, N; Bonavita, A; Leonardi, S G; Neri, G

2015-01-01

Calcium doped ZnO (CZO) nanopowders with [Ca]/[Zn] atomic ratios of 0, 0.01, 0.03 and 0.05 were prepared via a sol-gel route and characterized by scanning electron microscopy, transmission electron microscopy, x-ray diffraction and Fourier transform infrared spectroscopy (FT-IR). Characterization data showed that undoped and Ca-doped ZnO samples have a hexagonal wurtzite structure with a slight distortion of the ZnO lattice and no extra secondary phases, suggesting the substitution of Ca ions in the ZnO structure.Chemo-resistive devices based on a thick layer of the synthesized CZO nanoparticles were fabricated and their electrical and sensing properties towards CO 2 were investigated. Sensing tests have demonstrated that Ca loading is the key factor in modulating the electrical properties and strongly improving the response of ZnO matrix towards CO 2 . An increased CO 2 adsorption with Ca loading has been also evidenced by FT-IR, providing the basis for the formulation of a plausible mechanism for CO 2 sensing operating on these sensors. (paper)

Influence of oxidation temperature on the interfacial properties of n-type 4H-SiC MOS capacitors

Energy Technology Data Exchange (ETDEWEB)

Jia, Yifan; Lv, Hongliang [School of Microelectronics, Xidian University, Key Laboratory of Wide Band Gap Semiconductor Materials and Devices, Xi’an 710071 (China); Song, Qingwen, E-mail: qwsong@xidian.edu.cn [School of Microelectronics, Xidian University, Key Laboratory of Wide Band Gap Semiconductor Materials and Devices, Xi’an 710071 (China); School of Advanced Materials and Nanotechnology, Xidian University, Xi’an 710071 (China); Tang, Xiaoyan, E-mail: xytang@xidian.edu.cn [School of Microelectronics, Xidian University, Key Laboratory of Wide Band Gap Semiconductor Materials and Devices, Xi’an 710071 (China); Xiao, Li; Wang, Liangyong; Tang, Guangming [Zhongxing Telecommunication Equipment Corporation, Shenzhen 518057 (China); Zhang, Yimen; Zhang, Yuming [School of Microelectronics, Xidian University, Key Laboratory of Wide Band Gap Semiconductor Materials and Devices, Xi’an 710071 (China)

2017-03-01

Highlights: • Effect of oxidation temperature on interfacial properties of SiO{sub 2}/SiC is investigated. • Raising the oxidation temperature effectively decreases the density of NITs and N{sub eff}. • The higher oxidation temperature reduces the surface RMS roughness of the grow SiO{sub 2}. • SIMS and XPS results reveal the improvement mechanism of high temperature oxidation. - Abstract: The effect of oxidation temperature on interfacial properties of n-type 4H-SiC metal-oxide-semiconductor capacitors has been systematically investigated. Thermal dry oxidation process with three different oxidation temperatures 1200 °C, 1300 °C and 1350 °C were employed to grow SiO{sub 2} dielectric, following by the standard post-oxidation annealing (POA) in NO ambience at 1175 °C for 2 h. The root mean square (RMS) roughness measured by Atomic Force Microscopy for the thermally grown SiO{sub 2} before POA process is reduced with increasing the oxidation temperature, obtaining an atomically flat surface with a RMS of 0.157 nm from the sample oxidized at 1350 °C. Several kinds of electrical measurements were used to evaluate the densities of near interface traps and effective fixed dielectric charge for the samples, exhibiting a trend reduced with increasing the oxidation temperature. The interface state density of 3 × 10{sup 11} cm{sup −2}eV{sup −1} at 0.2 eV from the conduction band edge was achieved from conductance method measurement for the sample oxidized at 1350 °C. The results from Secondary Ion Mass Spectroscopy and X-ray Photoelectron Spectroscopy demonstrate that high oxidation temperature can reduce the width of transition layer, the excess Si and silicon suboxide compositions near the interface, leading to effective improvement of the interfacial properties.

Properties of halloysite nanotube-epoxy resin hybrids and the interfacial reactions in the systems

Energy Technology Data Exchange (ETDEWEB)

Liu Mingxian; Guo Baochun; Du Mingliang; Cai Xiaojia; Jia Demin [Department of Polymer Materials and Engineering, South China University of Technology, Guangzhou 510640 (China)

2007-11-14

A naturally occurred microtubullar silicate, halloysite nanotubes (HNTs), was co-cured with epoxy/cyanate ester resin to form organic-inorganic hybrids. The coefficient of thermal expansion (CTE) of the hybrids with low HNT concentration was found to be substantially lower than that of the plain cured resin. The moduli of the hybrids in the glassy state and rubbery state were significantly higher than those for the plain cured resin. The dispersion of HNTs in the resin matrix was very uniform as revealed by the transmission electron microscopy (TEM) results. The interfacial reactions between the HNTs and cyanate ester (CE) were revealed by the results of Fourier transform infrared spectroscopy (FTIR) and x-ray photoelectron spectroscopy (XPS). The substantially increased properties of the hybrids were attributed to the covalent bonding between the nanotubes and the matrix.

Properties of halloysite nanotube-epoxy resin hybrids and the interfacial reactions in the systems

International Nuclear Information System (INIS)

Liu Mingxian; Guo Baochun; Du Mingliang; Cai Xiaojia; Jia Demin

2007-01-01

A naturally occurred microtubullar silicate, halloysite nanotubes (HNTs), was co-cured with epoxy/cyanate ester resin to form organic-inorganic hybrids. The coefficient of thermal expansion (CTE) of the hybrids with low HNT concentration was found to be substantially lower than that of the plain cured resin. The moduli of the hybrids in the glassy state and rubbery state were significantly higher than those for the plain cured resin. The dispersion of HNTs in the resin matrix was very uniform as revealed by the transmission electron microscopy (TEM) results. The interfacial reactions between the HNTs and cyanate ester (CE) were revealed by the results of Fourier transform infrared spectroscopy (FTIR) and x-ray photoelectron spectroscopy (XPS). The substantially increased properties of the hybrids were attributed to the covalent bonding between the nanotubes and the matrix

Magnetic properties of ultrathin Co/Ge(111) and Co/Ge(100) films

International Nuclear Information System (INIS)

Cheng, W. C.; Tsay, J. S.; Yao, Y. D.; Lin, K. C.; Yang, C. S.; Lee, S. F.; Tseng, T. K.; Neih, H. Y.

2001-01-01

The orientation of the magnetization and the occurrence of interfacial ferromagnetic inactive layers for ultrathin Co films grown on Ge(111) and Ge(100) surfaces have been studied using the in situ surface magneto-optic Kerr effect. On a Ge(111) substrate, cobalt films (≤28 monolayers) with in-plane easy axis of magnetization have been observed; however, on a Ge(100) substrate, ultrathin Co films (14 - 16 monolayers) with canted out-of-plane easy axis of magnetization were measured. The ferromagnetic inactive layers were formed due to the intermixing of Co and Ge and lowering the Curie temperature by reducing Co film thickness. The Co - Ge compound inactive layers were 3.8 monolayers thick for Co films grown on Ge(111) and 6.2 monolayers thick for Co films deposited on Ge(100). This is attributed to the difference of the density of surface atoms on Ge(111) and Ge(100). [copyright] 2001 American Institute of Physics

Interfacial chemistry in solvent extraction systems: Progress report for period April 1, 1986-March 31, 1987

International Nuclear Information System (INIS)

Neuman, R.D.

1986-11-01

Proton magnetic resonance spectroscopic, vapor pressure osmometric and Karl Fischer titrimetric measurements have provided support for our earlier findings obtained from interfacial tension and mass transfer experiments that reversed micelles are formed, under certain conditions, in the system HDEHP/n-hexane/CaCl 2 solution. These studies were further extended to include different organophosphorus acid (PC 88A), diluent (benzene), and metal ions (Co 2+ , Ni 2+ , and Zn 2+ ) to determine whether reversed micellization is a general phenomenon occurring in solvent extraction systems which employ organophosphorus acids. The data obtained so far, suggest that reversed micellization indeed is a general phenomenon operative in organophosphorus acid extractant systems. A new mass transfer cell has been constructed in order to investigate the metal distribution equilibria and extraction kinetics of Co, Ni and Zn using atomic absorption spectrophotometric technique. A quasi-elastic light-scattering apparatus has been installed to investigate aggregation phenomena in solvent extraction systems. Preliminary drop-interface coalescence studies were performed, and the results were correlated with those obtained from interfacial tension measurements. The laser heterodyne light-scattering apparatus for measurement of interfacial viscoelastic properties also has been set-up and is being optimized for high resolution measurements. 21 refs., 16 figs

EFFECT OF INTERFACIAL ADHESION ON CRYSTALLIZATION AND MECHANICAL PROPERTIES OF POLY (ETHYLENE TEREPHTHALATE)/GLASS BEAD COMPOSITES

Institute of Scientific and Technical Information of China (English)

OU Yuchun; YU Zhongzhen; ZHU Jin; LI Ge; ZHU Shanguang

1996-01-01

The interfacial adhesion between poly (ethylene terephthalate) (PET) and glass bead was investigated by scanning electron microscope and parallel-plate rheometer. Effect of interfacial adhesion on the crystallization and mechanical properties of PET/glass bead composites was also studied by differential scanning calorimeter and mechanical testers.The results obtained indicate that the glass bead has a heterogeneous nucleation effect on the PET crystallization. Although better interfacial adhesion is advantageous to the increase of the tensile strength of the composite, yet it is unfavorable to the crystallization of PET. It should be pointed out that the crystallization rate of filled PET is always higher than that of pure PET, regardless of the state of interfacial adhesion.

Improved dielectric properties, mechanical properties, and thermal conductivity properties of polymer composites via controlling interfacial compatibility with bio-inspired method

Science.gov (United States)

Ruan, Mengnan; Yang, Dan; Guo, Wenli; Zhang, Liqun; Li, Shuxin; Shang, Yuwei; Wu, Yibo; Zhang, Min; Wang, Hao

2018-05-01

Surface functionalization of Al2O3 nano-particles by mussel-inspired poly(dopamine) (PDA) was developed to improve the dielectric properties, mechanical properties, and thermal conductivity properties of nitrile rubber (NBR) matrix. As strong adhesion of PDA to Al2O3 nano-particles and hydrogen bonds formed by the catechol groups of PDA and the polar acrylonitrile groups of NBR, the dispersion of Al2O3-PDA/NBR composites was improved and the interfacial force between Al2O3-PDA and NBR matrix was enhanced. Thus, the Al2O3-PDA/NBR composites exhibited higher dielectric constant, better mechanical properties, and larger thermal conductivity comparing with Al2O3/NBR composites at the same filler content. The largest thermal conductivity of Al2O3-PDA/NBR composite filled with 30 phr Al2O3-PDA was 0.21 W/m K, which was 122% times of pure NBR. In addition, the Al2O3-PDA/NBR composite filled with 30 phr Al2O3-PDA displayed a high tensile strength about 2.61 MPa, which was about 255% of pure NBR. This procedure is eco-friendly and easy handling, which provides a promising route to polymer composites in application of thermal conductivity field.

Tunable anomalous hall effect induced by interfacial catalyst in perpendicular multilayers

Science.gov (United States)

Zhang, J. Y.; Peng, W. L.; Sun, Q. Y.; Liu, Y. W.; Dong, B. W.; Zheng, X. Q.; Yu, G. H.; Wang, C.; Zhao, Y. C.; Wang, S. G.

2018-04-01

The interfacial structures, playing a critical role on the transport properties and the perpendicular magnetic anisotropy in thin films and multilayers, can be modified by inserting an ultrathin functional layer at the various interfaces. The anomalous Hall effect (AHE) in the multilayers with core structure of Ta/CoFeB/X/MgO/Ta (X: Hf or Pt) is tuned by interfacial catalytic engineering. The saturation anomalous Hall resistance (RAH) is increased by 16.5% with 0.1 nm Hf insertion compared with the reference sample without insertion. However, the RAH value is decreased by 9.0% with 0.1 nm Pt insertion. The interfacial states were characterized by the X-ray photoelectron spectroscopy (XPS). The XPS results indicate that a strong bonding between Hf and O for Hf insertion, but no bonding between Pt and O for Pt insertion. The bonding between metal and oxygen leads to various oxygen migration behavior at the interfaces. Therefore, the opposite behavior about the RAH originates from the different oxygen behavior due to various interfacial insertion. This work provides a new approach to manipulate spin transport property for the potential applications.

Investigation of the atomic interface structure of mesotaxial Si/CoSi2(100) layers formed by high-dose implantation

International Nuclear Information System (INIS)

Bulle-Lieuwma, C.W.T.; Jong, A.F. de; Vandenhoudt, D.E.W.

1991-01-01

Aligned mesotaxial films of CoSi 2 in monocrystalline (100) oriented Si substrates have been formed by high-dose ion implantation of Co, followed by a high temperature treatment. The atomic structures of both the lower and upper Si/CoSi 2 (100) interfaces of the buried CoSi 2 layer have been investigated by high-resolution electron microscopy (HREM) combined with image simulations. A domain-like structure is observed consisting of areas with different interfaces. In order to derive the atomic configuration, image simulations of different proposed models are presented. By comparing simulated images and HREM images, two different atomic structure models for the Si/CoSi 2 (100) interface have been found. In the first model the interfacial Co atoms are six-fold coordinated and the tetrahedral coordination and bond lengths of silicon atoms are everywhere maintained. In the second model we found evidence for a 2 x 1 interface reconstruction, involving a difference in composition. The interfacial Co atoms are seven-fold coordinated. It is shown that the boundaries between the domains are associated with interfacial dislocations of edge-type with Burgers vectors b a/4 inclined and b = a/2 parallel to the interfacial plane. (author)

Interfacial dilational properties of tea polyphenols and milk proteins with gut epithelia and the role of mucus in nutrient adsorption.

Science.gov (United States)

Guri, Anilda; Li, Yang; Corredig, Milena

2015-12-01

By interacting with nutrients, the mucus layer covering the intestinal epithelium may mediate absorption. This study aimed to determine possible interactions between epigallocatechin-3-gallate (EGCG), skim milk proteins or their complexes with human intestinal mucin films. The films were extracted from postconfluent monolayers of HT29-MTX, a human intestinal cell line, and a model system was created using drop shape tensiometry. The EGCG uptake tested in vitro on postconfluent Caco-2 cells or co-cultures of Caco-2/HT29-MTX (mucus producing) showed recovery of bioavailable EGCG only for Caco-2 cell monolayers, suggesting an effect of mucus on absorption. Interfacial dilational rheology was employed to characterize the properties of the interface mixed with mucus dispersion. Adsorption of polyphenols greatly enhanced the viscoelastic modulus of the mucus film, showing the presence of interactions between the nutrient molecules and mucus films. On the other hand, in situ digestion of milk proteins using trypsin showed higher surface activities as a result of protein unfolding and competitive adsorption of the hydrolyzed products. There was an increase of viscoelastic modulus over the drop ageing time for the mixed interfaces, indicating the formation of a stiffer interfacial network. These results bring new insights into the role of the mucus layer in nutrient absorption and the interactions of mucus and dairy products.

Interfacial-Bonding-Regulated CO Oxidation over Pt Atoms Immobilized on Gas-Exfoliated Hexagonal Boron Nitride

KAUST Repository

Liu, Xin

2017-10-12

We compared the electronic structure and CO oxidation mechanisms over Pt atoms immobilized by both B-vacancies and N-vacancies on gas-exfoliated hexagonal boron nitride. We showed that chemical bonds are formed between the B atoms associated with dangling bonds around the vacancies and Pt atoms. These bonds not only alter the thermodynamics and kinetics for the aggregation and effectively immobilize Pt atoms, but also significantly change the composition and energetic distribution of the electronic states of the composites to circumvent CO poisoning and to favour coadsorption of CO and O2, which further regulates the reactions to proceed through a Langmuir-Hinshelwood mechanism. The CO oxidation over Pt atoms immobilized at N-vacancies involves formation of an intermediate with –C(O)-O−O- bonded to Pt, the generation of CO2 by peroxo O−O bond scission and the reduction of the remnant oxygen, and the calculated energy barriers are 0.49, 0.23 and 0.18 eV, respectively. Such small energy barriers are comparable to those over Pt atoms trapped at B-vacancies, showing the effectiveness of Pt/hexagonal boron nitride atomic composites as catalysts for CO oxidation. These findings also suggest the feasibility of regulating the reaction pathways over single atom catalysts via interfacial engineering.

Evaluating interfacial adhesion properties of Pt/Ti thin-film by using acousto-optic technique

Energy Technology Data Exchange (ETDEWEB)

Park, Hae Sung [Graduate School of Automotive Engineering, Seoul National University of Science and Technology, Seoul (Korea, Republic of); Didie, David; Yoshida, Sanichiro [Dept. of Chemistry and Physics, Southeastern Louisiana University, Hammond (United States); Park, Ik Keun [Dept. of Mechanical and Automotive Engineering, Seoul National University of Science and Technology, Seoul (Korea, Republic of)

2016-06-15

We propose an acousto-optic technique for the nondestructive evaluation of adhesion properties of a Pt/Ti thin-film interface. Since there are some problems encountered when using prevailing techniques to nondestructively evaluate the interfacial properties of micro/nano-scale thin-films, we applied an interferometer that combined the acoustic and optical methods. This technique is based on the Michelson interferometer but the resultant surface of the thin film specimen makes interference instead of the mirror when the interface is excited from the acoustic transducer at the driving frequency. The thin film shows resonance-like behavior at a certain frequency range, resulting in a low-contrast fringe pattern. Therefore, we represented quantitatively the change in fringe pattern as a frequency spectrum and discovered the possibility that the interfacial adhesion properties of a thin film can be evaluated using the newly proposed technique.

Rheological and interfacial properties at the equilibrium of almond gum tree exudate (Prunus dulcis) in comparison with gum arabic.

Science.gov (United States)

Mahfoudhi, Nesrine; Sessa, Mariarenata; Ferrari, Giovanna; Hamdi, Salem; Donsi, Francesco

2016-06-01

Almond gum contains an arabinogalactan-type polysaccharide, which plays an important role in defining its interfacial and rheological properties. In this study, rheological and interfacial properties of almond gum and gum arabic aqueous dispersions were comparatively investigated. The interfacial tension of almond gum and gum arabic aqueous dispersions was measured using the pendant drop method in hexadecane. The asymptotic interfacial tension values for almond gum were significantly lower than the corresponding values measured for gum arabic, especially at high concentration. Rheological properties were characterized by steady and oscillatory tests using a coaxial geometry. Almond gum flow curves exhibited a shear thinning non-Newtonian behavior with a tendency to a Newtonian plateau at low shear rate, while gum arabic flow curves exhibited such behavior only at high shear rate. The influence of temperature (5-50  ℃) on the flow curves was studied at 4% (m/m) gum concentration and the Newtonian viscosities at infinite and at zero shear rate, for gum arabic and almond gum, respectively, were accurately fitted by an Arrhenius-type equation. The dynamic properties of the two gum dispersions were also studied. Both gum dispersions exhibited viscoelastic properties, with the viscous component being predominant in a wider range of concentrations for almond gum, while for gum arabic the elastic component being higher than the elastic one especially at higher concentrations.The rheological and interfacial tension properties of almond gum suggest that it may represent a possible substitute of gum arabic in different food applications. © The Author(s) 2015.

Governing Influence of Thermodynamic and Chemical Equilibria on the Interfacial Properties in Complex Fluids.

Science.gov (United States)

Harikrishnan, A R; Dhar, Purbarun; Gedupudi, Sateesh; Das, Sarit K

2018-04-12

We propose a comprehensive analysis and a quasi-analytical mathematical formalism to predict the surface tension and contact angles of complex surfactant-infused nanocolloids. The model rests on the foundations of the interaction potentials for the interfacial adsorption-desorption dynamics in complex multicomponent colloids. Surfactant-infused nanoparticle-laden interface problems are difficult to deal with because of the many-body interactions and interfaces involved at the meso-nanoscales. The model is based on the governing role of thermodynamic and chemical equilibrium parameters in modulating the interfacial energies. The influence of parameters such as the presence of surfactants, nanoparticles, and surfactant-capped nanoparticles on interfacial dynamics is revealed by the analysis. Solely based on the knowledge of interfacial properties of independent surfactant solutions and nanocolloids, the same can be deduced for complex surfactant-based nanocolloids through the proposed approach. The model accurately predicts the equilibrium surface tension and contact angle of complex nanocolloids available in the existing literature and present experimental findings.

Molecular level computational studies of polyethylene and polyacrylonitrile composites containing single walled carbon nanotubes: effect of carboxylic acid functionalization on nanotube-polymer interfacial properties

Directory of Open Access Journals (Sweden)

Shayesteh eHaghighatpanah

2014-09-01

Full Text Available Molecular dynamics and molecular mechanics methods have been used to investigate additive-polymer interfacial properties in single walled carbon nanotube – polyethylene and single walled carbon nanotube – polyacrylonitrile composites. Properties such as the interfacial shear stress and bonding energy are similar for the two composites. In contrast, functionalizing the single walled carbon nanotubes with carboxylic acid groups leads to an increase in these properties, with a larger increase for the polar polyacrylonitrile composite. Increasing the percentage of carbon atoms that were functionalized from 1% to 5% also leads to an increase in the interfacial properties. In addition, the interfacial properties depend on the location of the functional groups on the single walled carbon nanotube wall.

Fabrication of interfacial functionalized porous polymer monolith and its adsorption properties of copper ions

Energy Technology Data Exchange (ETDEWEB)

Han, Jiaxi; Du, Zhongjie; Zou, Wei; Li, Hangquan; Zhang, Chen, E-mail: zhangch@mail.buct.edu.cn

2014-07-15

Highlights: • Interface functionalized PGMA porous monolith was fabricated. • The adsorption capacity of Cu{sup 2+} was 35.3 mg/g. • The effects of porous structure on the adsorption of Cu{sup 2+} were studied. • The adsorption behaviors of porous monolith were studied. - Abstract: The interfacial functionalized poly (glycidyl methacrylate) (PGMA) porous monolith was fabricated and applied as a novel porous adsorbent for copper ions (Cu{sup 2+}). PGMA porous material with highly interconnected pore network was prepared by concentrated emulsion polymerization template. Then polyacrylic acid (PAA) was grafted onto the interface of the porous monolith by the reaction between the epoxy group on PGMA and a carboxyl group on PAA. Finally, the porous monolith was interfacial functionalized by rich amount of carboxyl groups and could adsorb copper ions effectively. The chemical structure and porous morphology of the porous monolith were measured by Fourier transform infrared spectroscopy and scanning electron microscopy. Moreover, the effects of pore size distribution, pH value, co-existing ions, contacting time, and initial concentrations of copper ions on the adsorption capacity of the porous adsorbents were studied.

Interfacial, mechanical properties of Al{sub 2}O{sub 3}-NiAl composites respective to long term thermal stability

Energy Technology Data Exchange (ETDEWEB)

Song, Jia; Hu, Weiping; Gottstein, Guenter [RWTH Aachen Univ. (Germany). Inst. of Physical Metallurgy and Metal Physics

2010-07-01

The long term thermal stability of NiAl-Al{sub 2}O{sub 3} composites was investigated. During annealing of the composites at 973 K and 1373 K for 2000 hours, the NiAl-Al{sub 2}O{sub 3} system showed excellent chemical stability. However, grain growth and embrittlement progressed in the polycrystalline NiAl matrix. The interfacial shear strength decreased from 222{+-}50 MPa for the as-fabricated sample to 197{+-}48 MPa and 150{+-}38 MPa for the samples annealed at 973 K and 1373 K, respectively. The microstructure change during annealing at 973K and 1373 K affected the tensile strength differently. The potential causes of microstructure and interface structure change and their impact on mechanical properties are discussed. (orig.)

Effect of the surface roughness on interfacial properties of carbon fibers reinforced epoxy resin composites

International Nuclear Information System (INIS)

Song Wei; Gu Aijuan; Liang Guozheng; Yuan Li

2011-01-01

The effect of the surface roughness on interfacial properties of carbon fibers (CFs) reinforced epoxy (EP) resin composite is studied. Aqueous ammonia was applied to modify the surfaces of CFs. The morphologies and chemical compositions of original CFs and treated CFs (a-CFs) were characterized by Atomic Force Microscopy (AFM), and X-ray Photoelectron Spectroscopy (XPS). Compared with the smooth surface of original CF, the surface of a-CF has bigger roughness; moreover, the roughness increases with the increase of the treating time. On the other hand, no obvious change in chemical composition takes place, indicating that the treating mechanism of CFs by aqueous ammonia is to physically change the morphologies rather than chemical compositions. In order to investigate the effect of surface roughness on the interfacial properties of CF/EP composites, the wettability and Interfacial Shear Strength (IFSS) were measured. Results show that with the increase of the roughness, the wettabilities of CFs against both water and ethylene glycol improves; in addition, the IFSS value of composites also increases. These attractive phenomena prove that the surface roughness of CFs can effectively overcome the poor interfacial adhesions between CFs and organic matrix, and thus make it possible to fabricate advanced composites based on CFs.

Interfacial effects in multilayers

International Nuclear Information System (INIS)

Barbee, T.W. Jr.

1998-01-01

Interfacial structure and the atomic interactions between atoms at interfaces in multilayers or nano-laminates have significant impact on the physical properties of these materials. A technique for the experimental evaluation of interfacial structure and interfacial structure effects is presented and compared to experiment. In this paper the impact of interfacial structure on the performance of x-ray, soft x-ray and extreme ultra-violet multilayer optic structures is emphasized. The paper is concluded with summary of these results and an assessment of their implications relative to multilayer development and the study of buried interfaces in solids in general

Interfacial density of states in magnetic tunnel junctions

NARCIS (Netherlands)

LeClair, P.R.; Kohlhepp, J.T.; Swagten, H.J.M.; Jonge, de W.J.M.

2001-01-01

Large zero-bias resistance anomalies as well as a collapse of magnetoresistance were observed in Co/Al2O3/Co magnetic tunnel junctions with thin Cr interfacial layers. The tunnel magnetoresistance decays exponentially with nominal Cr interlayer thickness with a length scale of ~1 Å more than twice

Effect of high pressure homogenization on the structure and the interfacial and emulsifying properties of β-lactoglobulin.

Science.gov (United States)

Ali, Ali; Le Potier, Isabelle; Huang, Nicolas; Rosilio, Véronique; Cheron, Monique; Faivre, Vincent; Turbica, Isabelle; Agnely, Florence; Mekhloufi, Ghozlene

2018-02-15

The effect of high pressure homogenization (HPH) on the structure of β-lactoglobulin (β-lg) was studied by combining spectroscopic, chromatographic, and electrophoretic methods. The consequences of the resulting structure modifications on oil/water (O/W) interfacial properties were also assessed. Moderated HPH treatment (100 MPa/4 cycles) showed no significant modification of protein structure and interfacial properties. However, a harsher HPH treatment (300 MPa/5 cycles) induced structural transformation, mainly from β-sheets to random coils, wide loss in lipocalin core, and protein aggregation via intermolecular disulfide bridges. HPH-modified β-lg displayed higher surface hydrophobicity leading to a faster adsorption rate at the interface and an earlier formation of an elastic interfacial film at C β-lg  = 0.1 wt%. However, no modification of the interfacial properties was observed at C β-lg  = 1 wt%. At this protein concentration, the prior denaturation of β-lg by HPH did not modify the droplet size of nanoemulsions prepared with these β-lg solutions as the aqueous phases. A slightly increased creaming rate was however observed. The effects of HPH and heat denaturations appeared qualitatively similar, but with differences in their extent. Copyright © 2017 Elsevier B.V. All rights reserved.

Properties of C4F7N–CO2 thermal plasmas: thermodynamic properties, transport coefficients and emission coefficients

Science.gov (United States)

Wu, Yi; Wang, Chunlin; Sun, Hao; Murphy, Anthony B.; Rong, Mingzhe; Yang, Fei; Chen, Zhexin; Niu, Chunpin; Wang, Xiaohua

2018-04-01

The thermophysical properties, including composition, thermodynamic properties, transport coefficients and net emission coefficients, of thermal plasmas formed from pure iso-C4 perfluoronitrile C4F7N and C4F7N–CO2 mixtures are calculated for temperatures from 300 to 30 000 K and pressures from 0.1 to 20 atm. These gases have received much attention as alternatives to SF6 for use in circuit breakers, due to the low global warming potential and good dielectric properties of C4F7N. Since the parameters of the large molecules formed in the dissociation of C4F7N are unavailable, the partition function and enthalpy of formation were calculated using computational chemistry methods. From the equilibrium composition calculations, it was found that when C4F7N is mixed with CO2, CO2 can capture C atoms from C4F7N, producing CO, since the system consisting of small molecules such as CF4 and CO has lower energy at room temperature. This is in agreement with previous experimental results, which show that CO dominates the decomposition products of C4F7N–CO2 mixtures; it could limit the repeated breaking performance of C4F7N. From the point of view of chemical stability, the mixing ratio of CO2 should therefore be chosen carefully. Through comparison with common arc quenching gases (including SF6, CF3I and C5F10O), it is found that for the temperature range for which electrical conductivity remains low, pure C4F7N has similar ρC p (product of mass density and specific heat) properties to SF6, and higher radiative emission coefficient, properties that are correlated with good arc extinguishing capability. For C4F7N–CO2 mixtures, the electrical conductivity is very close to that of SF6 while the ρC p peak at 7000 K caused by decomposition of CO implies inferior interruption capability to that of SF6. The calculated properties will be useful in arc simulations.

Thermoelectric properties of Ba3Co2O6(CO3)0.7 containing one-dimensional CoO6 octahedral columns

OpenAIRE

Iwasaki, Kouta; Yamamoto, Teruhisa; Yamane, Hisanori; Takeda, Takashi; Arai, Shigeo; Miyazaki, Hidetoshi; Tatsumi, Kazuyoshi; Yoshino, Masahito; Ito, Tsuyoshi; Arita, Yuji; Muto, Shunsuke; Nagasaki, Takanori; Matsui, Tsuneo

2009-01-01

The thermoelectric properties of Ba3Co2O6(CO3)0.7 have been investigated using prismatic single crystals elongated along the c axis. Ba3Co2O6(CO3)0.7 has a pseudo-one-dimensional structure similar to that of 2H perovskite-type BaCoO3 and contains CoO6 octahedral columns running parallel to the c axis. The prismatic crystals are grown by a flux method using a K2CO3–BaCl2 flux. The electrical conductivity(σ) along the columns (c axis) exhibits a metallic behavior (670–320 S cm−1 in the temperat...

MgO-based adsorbents for CO2 adsorption: Influence of structural and textural properties on the CO2 adsorption performance.

Science.gov (United States)

Elvira, Gutiérrez-Bonilla; Francisco, Granados-Correa; Víctor, Sánchez-Mendieta; Alberto, Morales-Luckie Raúl

2017-07-01

A series of MgO-based adsorbents were prepared through solution-combustion synthesis and ball-milling process. The prepared MgO-based powders were characterized using X-ray diffraction, scanning electron microscopy, N 2 physisorption measurements, and employed as potential adsorbents for CO 2 adsorption. The influence of structural and textural properties of these adsorbents over the CO 2 adsorption behaviour was also investigated. The results showed that MgO-based products prepared by solution-combustion and ball-milling processes, were highly porous, fluffy, nanocrystalline structures in nature, which are unique physico-chemical properties that significantly contribute to enhance their CO 2 adsorption. It was found that the MgO synthesized by solution combustion process, using a molar ratio of urea to magnesium nitrate (2:1), and treated by ball-milling during 2.5hr (MgO-BM2.5h), exhibited the maximum CO 2 adsorption capacity of 1.611mmol/g at 25°C and 1atm, mainly via chemisorption. The CO 2 adsorption behaviour on the MgO-based adsorbents was correlated to their improved specific surface area, total pore volume, pore size distribution and crystallinity. The reusability of synthesized MgO-BM2.5h was confirmed by five consecutive CO 2 adsorption-desorption times, without any significant loss of performance, that supports the potential of MgO-based adsorbent. The results confirmed that the special features of MgO prepared by solution-combustion and treated by ball-milling during 2.5hr are favorable to be used as effective MgO-based adsorbent in post-combustion CO 2 capture technologies. Copyright © 2016. Published by Elsevier B.V.

ECO2M: A TOUGH2 Fluid Property Module for Mixtures of Water, NaCl, and CO2, Including Super- and Sub-Critical Conditions, and Phase Change Between Liquid and Gaseous CO2

Energy Technology Data Exchange (ETDEWEB)

Pruess, K.

2011-04-01

ECO2M is a fluid property module for the TOUGH2 simulator (Version 2.0) that was designed for applications to geologic storage of CO{sub 2} in saline aquifers. It includes a comprehensive description of the thermodynamics and thermophysical properties of H{sub 2}O - NaCl - CO{sub 2} mixtures, that reproduces fluid properties largely within experimental error for temperature, pressure and salinity conditions in the range of 10 C {le} T {le} 110 C, P {le} 600 bar, and salinity from zero up to full halite saturation. The fluid property correlations used in ECO2M are identical to the earlier ECO2N fluid property package, but whereas ECO2N could represent only a single CO{sub 2}-rich phase, ECO2M can describe all possible phase conditions for brine-CO{sub 2} mixtures, including transitions between super- and sub-critical conditions, and phase change between liquid and gaseous CO{sub 2}. This allows for seamless modeling of CO{sub 2} storage and leakage. Flow processes can be modeled isothermally or non-isothermally, and phase conditions represented may include a single (aqueous or CO{sub 2}-rich) phase, as well as two-and three-phase mixtures of aqueous, liquid CO{sub 2} and gaseous CO{sub 2} phases. Fluid phases may appear or disappear in the course of a simulation, and solid salt may precipitate or dissolve. TOUGH2/ECO2M is upwardly compatible with ECO2N and accepts ECO2N-style inputs. This report gives technical specifications of ECO2M and includes instructions for preparing input data. Code applications are illustrated by means of several sample problems, including problems that had been previously solved with TOUGH2/ECO2N.

Study on the Mechanical and Interfacial Property of Injection Molded Fiber Reinforced Thermoplastics

OpenAIRE

王, 存涛

2014-01-01

Fiber reinforced polymer (FRP) composites have been used widely in the land transportation, aerospace, marine structures and characteristically conservative infrastructure construction industries and generally, the interface plays very important role in the properties of FRP materials. Therefore, this research studied the mechanical and interfacial property involved in the non-weld samples, weld samples and adhesive samples of insert moldings. Green composites as one of environment-friendly m...

Effect of excluded volume interactions on the interfacial properties of colloid-polymer mixtures

NARCIS (Netherlands)

Fortini, A.; Bolhuis, P.G.; Dijkstra, M.

2008-01-01

We report a numerical study of equilibrium phase diagrams and interfacial properties of bulk and confined colloid-polymer mixtures using grand canonical Monte Carlo simulations. Colloidal particles are treated as hard spheres, while the polymer chains are described as soft repulsive spheres. The

Interfacial Interactions and Wettability Evaluation of Rock Surfaces for CO2 Storage

NARCIS (Netherlands)

Shojai Kaveh, N.

2014-01-01

To reduce CO2 emissions into the atmosphere, different scenarios are proposed to capture and store carbon dioxide (CO2) in geological formations (CCS). Storage strategies include CO2 injection into deep saline aquifers, depleted gas and oil reservoirs, and unmineable coal seams. To identify a secure

Focused-ion-beam induced interfacial intermixing of magnetic bilayers for nanoscale control of magnetic properties

International Nuclear Information System (INIS)

Burn, D M; Atkinson, D; Hase, T P A

2014-01-01

Modification of the magnetic properties in a thin-film ferromagnetic/non-magnetic bilayer system by low-dose focused ion-beam (FIB) induced intermixing is demonstrated. The highly localized capability of FIB may be used to locally control magnetic behaviour at the nanoscale. The magnetic, electronic and structural properties of NiFe/Au bilayers were investigated as a function of the interfacial structure that was actively modified using focused Ga + ion irradiation. Experimental work used MOKE, SQUID, XMCD as well as magnetoresistance measurements to determine the magnetic behavior and grazing incidence x-ray reflectivity to elucidate the interfacial structure. Interfacial intermixing, induced by low-dose irradiation, is shown to lead to complex changes in the magnetic behavior that are associated with monotonic structural evolution of the interface. This behavior may be explained by changes in the local atomic environment within the interface region resulting in a combination of processes including the loss of moment on Ni and Fe, an induced moment on Au and modifications to the spin-orbit coupling between Au and NiFe. (paper)

Interfacial Exchange Coupling Induced Anomalous Anisotropic Magnetoresistance in Epitaxial γ′-Fe 4 N/CoN Bilayers

KAUST Repository

Li, Zirun; Mi, Wenbo; Wang, Xiaocha; Zhang, Xixiang

2015-01-01

Anisotropic magnetoresistance (AMR) of the facing-target reactively sputtered epitaxial γ′-Fe4N/CoN bilayers is investigated. The phase shift and rectangular-like AMR appears at low temperatures, which can be ascribed to the interfacial exchange coupling. The phase shift comes from the exchange bias (EB) that makes the magnetization lag behind a small field. When the γ′-Fe4N thickness increases, the rectangular-like AMR appears. The rectangular-like AMR should be from the combined contributions including the EB-induced unidirectional anisotropy, intrinsic AMR of γ′-Fe4N layer and interfacial spin scattering.

Interfacial Exchange Coupling Induced Anomalous Anisotropic Magnetoresistance in Epitaxial γ′-Fe 4 N/CoN Bilayers

KAUST Repository

Li, Zirun

2015-02-02

Anisotropic magnetoresistance (AMR) of the facing-target reactively sputtered epitaxial γ′-Fe4N/CoN bilayers is investigated. The phase shift and rectangular-like AMR appears at low temperatures, which can be ascribed to the interfacial exchange coupling. The phase shift comes from the exchange bias (EB) that makes the magnetization lag behind a small field. When the γ′-Fe4N thickness increases, the rectangular-like AMR appears. The rectangular-like AMR should be from the combined contributions including the EB-induced unidirectional anisotropy, intrinsic AMR of γ′-Fe4N layer and interfacial spin scattering.

Irradiation Effect of Argon Ion on Interfacial Structure Fe(2nm/Si(tsi=0.5-2 nm Multilayer thin Film

Directory of Open Access Journals (Sweden)

S. Purwanto

2010-04-01

Full Text Available Investigation includes formation of interfacial structure of Fe(2nm/Si(tSi= 0.5-2 nm multilayer thin film and the behavior of antiferromagnetic coupling between Fe layers due to Argon ion irradiation was investigated. [Fe(2nm/Si]30 multilayers (MLs with a thickness of Si spacer 0.5 - 2 nanometer were prepared on n-type (100 Si substrate by the helicon plasma sputtering method. Irradiation were performed using 400keV Ar ion to investigate the behavior of magnetic properties of the Fe/Si MLs. The magnetization measurements of Fe/Si MLs after 400keV Ar ion irradiation show the degradation of antiferromagnetic behavior of Fe layers depend on the ion doses. The Magnetoresistance (MR measurements using by Four Point Probe (FPP method also confirm that MR ratio decrease after ion irradiation. X-ray diffraction (XRD patterns indicate that the intensity of a satellite peak induced by a superlattice structure does not change within the range of ion dose. These results imply that the surface of interface structures after ion irradiation become rough although the layer structures are maintained. Therefore, it is considered that the MR properties of Fe/Si MLs also are due to the metallic superlattice structures such as Fe/Cr and Co/Cu MLs.

Modeling the Effects of Interfacial Characteristics on Gas Permeation Behavior of Nanotube-Mixed Matrix Membranes.

Science.gov (United States)

Chehrazi, Ehsan; Sharif, Alireza; Omidkhah, Mohammadreza; Karimi, Mohammad

2017-10-25

Theoretical approaches that accurately predict the gas permeation behavior of nanotube-containing mixed matrix membranes (nanotube-MMMs) are scarce. This is mainly due to ignoring the effects of nanotube/matrix interfacial characteristics in the existing theories. In this paper, based on the analogy of thermal conduction in polymer composites containing nanotubes, we develop a model to describe gas permeation through nanotube-MMMs. Two new parameters, "interfacial thickness" (a int ) and "interfacial permeation resistance" (R int ), are introduced to account for the role of nanotube/matrix interfacial interactions in the proposed model. The obtained values of a int , independent of the nature of the permeate gas, increased by increasing both the nanotubes aspect ratio and polymer-nanotube interfacial strength. An excellent correlation between the values of a int and polymer-nanotube interaction parameters, χ, helped to accurately reproduce the existing experimental data from the literature without the need to resort to any adjustable parameter. The data includes 10 sets of CO 2 /CH 4 permeation, 12 sets of CO 2 /N 2 permeation, 3 sets of CO 2 /O 2 permeation, and 2 sets of CO 2 /H 2 permeation through different nanotube-MMMs. Moreover, the average absolute relative errors between the experimental data and the predicted values of the proposed model are very small (less than 5%) in comparison with those of the existing models in the literature. To the best of our knowledge, this is the first study where such a systematic comparison between model predictions and such extensive experimental data is presented. Finally, the new way of assessing gas permeation data presented in the current work would be a simple alternative to complex approaches that are usually utilized to estimate interfacial thickness in polymer composites.

pH-Induced interfacial properties of Chaplin E from Streptomyces coelicolor.

Science.gov (United States)

Dokouhaki, Mina; Hung, Andrew; Prime, Emma L; Qiao, Greg G; Day, Li; Gras, Sally L

2017-12-01

Chaplin E, or Chp E, is a surface active peptide secreted by Streptomyces coelicolor that adopts different structures depending on solution pH but the effect of these structures on the interfacial properties of Chp E is not known. In experiments paired with simulations, Chp E was found to display pH-dependent interfacial assembly and surface activity. At pH 3.0, Chp E formed an ordered non-amyloidal interfacial film with high surface activity; while at pH 10.0, Chp E self-assembled into a heterogeneous film containing randomly arranged fibrils at the interface that was less surface active compared to the film formed at pH 3.0. In simulations at pH 10.0, Chp E molecules showed a higher propensity for dimerization within the solution phase, lower rate of adsorption to the interface and tighter inter-molecular associations at the interface, consistent with the lower surface activity and smaller interfacial area coverage per molecule measured at this pH compared to at pH 3.0. A model is presented for the role of Chp E in the developmental differentiation of Streptomyces coelicolor, where Chp E contributes to changes in surface tension at low pH and the formation of fibrils on the surface of aerial hyphae at high pH. Our data also suggest Chp E could be a promising surface active agent with functional activity that can be controlled by pH. Copyright © 2017 Elsevier B.V. All rights reserved.

Composites of ionic liquid and amine-modified SAPO 34 improve CO2 separation of CO2-selective polymer membranes

Science.gov (United States)

Hu, Leiqing; Cheng, Jun; Li, Yannan; Liu, Jianzhong; Zhang, Li; Zhou, Junhu; Cen, Kefa

2017-07-01

Mixed matrix membranes with ionic liquids and molecular sieve particles had high CO2 permeabilities, but CO2 separation from small gas molecules such as H2 was dissatisfied because of bad interfacial interaction between ionic liquid and molecular sieve particles. To solve that, amine groups were introduced to modify surface of molecular sieve particles before loading with ionic liquid. SAPO 34 was adopted as the original filler, and four mixed matrix membranes with different fillers were prepared on the outer surface of ceramic hollow fibers. Both surface voids and hard agglomerations disappeared, and the surface became smooth after SAPO 34 was modified by amine groups and ionic liquid [P66614][2-Op]. Mixed matrix membranes with composites of amine-modified SAPO 34 and ionic liquid exhibited excellent CO2 permeability (408.9 Barrers) and CO2/H2 selectivity (22.1).

Interfacial Properties of CZTS Thin Film Solar Cell

Directory of Open Access Journals (Sweden)

N. Muhunthan

2014-01-01

Full Text Available Cu-deficient CZTS (copper zinc tin sulfide thin films were grown on soda lime as well as molybdenum coated soda lime glass by reactive cosputtering. Polycrystalline CZTS film with kesterite structure was produced by annealing it at 500°C in Ar atmosphere. These films were characterized for compositional, structural, surface morphological, optical, and transport properties using energy dispersive X-ray analysis, glancing incidence X-ray diffraction, Raman spectroscopy, scanning electron microscopy, atomic force microscopy, UV-Vis spectroscopy, and Hall effect measurement. A CZTS solar cell device having conversion efficiency of ~0.11% has been made by depositing CdS, ZnO, ITO, and Al layers over the CZTS thin film deposited on Mo coated soda lime glass. The series resistance of the device was very high. The interfacial properties of device were characterized by cross-sectional SEM and cross-sectional HRTEM.

CO2 Separation and Capture Properties of Porous Carbonaceous Materials from Leather Residues

Directory of Open Access Journals (Sweden)

Ana Arenillas

2013-10-01

Full Text Available Carbonaceous porous materials derived from leather skin residues have been found to have excellent CO2 adsorption properties, with interestingly high gas selectivities for CO2 (α > 200 at a gas composition of 15% CO2/85% N2, 273K, 1 bar and capacities (>2 mmol·g−1 at 273 K. Both CO2 isotherms and the high heat of adsorption pointed to the presence of strong binding sites for CO2 which may be correlated with both: N content in the leather residues and ultrasmall pore sizes.

CO2 Separation and Capture Properties of Porous Carbonaceous Materials from Leather Residues

Science.gov (United States)

Bermúdez, José M.; Dominguez, Pablo Haro; Arenillas, Ana; Cot, Jaume; Weber, Jens; Luque, Rafael

2013-01-01

Carbonaceous porous materials derived from leather skin residues have been found to have excellent CO2 adsorption properties, with interestingly high gas selectivities for CO2 (α > 200 at a gas composition of 15% CO2/85% N2, 273K, 1 bar) and capacities (>2 mmol·g−1 at 273 K). Both CO2 isotherms and the high heat of adsorption pointed to the presence of strong binding sites for CO2 which may be correlated with both: N content in the leather residues and ultrasmall pore sizes. PMID:28788352

Co-assembly in chitosan-surfactant mixtures: thermodynamics, structures, interfacial properties and applications.

Science.gov (United States)

Chiappisi, Leonardo; Gradzielski, Michael

2015-06-01

In this review, different aspects characterizing chitosan-surfactant mixtures are summarized and compared. Chitosan is a bioderived cationic polysaccharide that finds wide-ranged applications in various field, e.g., medical or food industry, in which synergistic effects with surfactant can play a fundamental role. In particular, the behavior of chitosan interacting with strong and weak anionic, nonionic as well as cationic surfactants is reviewed. We put a focus on oppositely charged systems, as they exhibit the most interesting features. In that context, we discuss the thermodynamic description of the interaction and in particular the structural changes as they occur as a function of the mixed systems and external parameters. Moreover, peculiar properties of chitosan coated phospholipid vesicles are summarized. Finally, their co-assembly at interfaces is briefly reviewed. Despite the behavior of the mentioned systems might strongly differ, resulting in a high variety of properties, few general rules can be pointed out which improve the understanding of such complex systems. Copyright © 2015 Elsevier B.V. All rights reserved.

Interfacial properties of stanene-metal contacts

Science.gov (United States)

Guo, Ying; Pan, Feng; Ye, Meng; Wang, Yangyang; Pan, Yuanyuan; Zhang, Xiuying; Li, Jingzhen; Zhang, Han; Lu, Jing

2016-09-01

Recently, two-dimensional buckled honeycomb stanene has been manufactured by molecular beam epitaxy growth. Free-standing stanene is predicted to have a sizable opened band gap of 100 meV at the Dirac point due to spin-orbit coupling (SOC), resulting in many fascinating properties such as quantum spin Hall effect, quantum anomalous Hall effect, and quantum valley Hall effect. In the first time, we systematically study the interfacial properties of stanene-metal interfaces (metals = Ag, Au, Cu, Al, Pd, Pt, Ir, and Ni) by using ab initio electronic structure calculations considering the SOC effects. The honeycomb structure of stanene is preserved on the metal supports, but the buckling height is changed. The buckling of stanene on the Au, Al, Ag, and Cu metal supports is higher than that of free-standing stanene. By contrast, a planar graphene-like structure is stabilized for stanene on the Ir, Pd, Pt, and Ni metal supports. The band structure of stanene is destroyed on all the metal supports, accompanied by a metallization of stanene because the covalent bonds between stanene and the metal supports are formed and the structure of stanene is distorted. Besides, no tunneling barrier exists between stanene and the metal supports. Therefore, stanene and the eight metals form a good vertical Ohmic contact.

Rational Construction of Uniform CoNi-Based Core-Shell Microspheres with Tunable Electromagnetic Wave Absorption Properties.

Science.gov (United States)

Chen, Na; Jiang, Jian-Tang; Xu, Cheng-Yan; Yan, Shao-Jiu; Zhen, Liang

2018-02-16

Core-shell particles with integration of ferromagnetic core and dielectric shell are attracting extensive attention for promising microwave absorption applications. In this work, CoNi microspheres with conical bulges were synthesized by a simple and scalable liquid-phase reduction method. Subsequent coating of dielectric materials was conducted to acquire core-shell structured CoNi@TiO 2 composite particles, in which the thickness of TiO 2 is about 40 nm. The coating of TiO 2 enables the absorption band of CoNi to effectively shift from K u to S band, and endows CoNi@TiO 2 microspheres with outstanding electromagnetic wave absorption performance along with a maximum reflection loss of 76.6 dB at 3.3 GHz, much better than that of bare CoNi microspheres (54.4 dB at 17.8 GHz). The enhanced EMA performance is attributed to the unique core-shell structures, which can induce dipole polarization and interfacial polarization, and tune the dielectric properties to achieve good impedance matching. Impressively, TiO 2 coating endows the composites with better microwave absorption capability than CoNi@SiO 2 microspheres. Compared with SiO 2 , TiO 2 dielectric shells could protect CoNi microspheres from merger and agglomeration during annealed. These results indicate that CoNi@TiO 2 core-shell microspheres can serve as high-performance absorbers for electromagnetic wave absorbing application.

Dynamic modeling of interfacial structures via interfacial area transport equation

International Nuclear Information System (INIS)

Seungjin, Kim; Mamoru, Ishii

2004-01-01

Full text of publication follows:In the current thermal-hydraulic system analysis codes using the two-fluid model, the empirical correlations that are based on the two-phase flow regimes and regime transition criteria are being employed as closure relations for the interfacial transfer terms. Due to its inherent shortcomings, however, such static correlations are inaccurate and present serious problems in the numerical analysis. In view of this, a new dynamic approach employing the interfacial area transport equation has been studied. The interfacial area transport equation dynamically models the two-phase flow regime transitions and predicts continuous change of the interfacial area concentration along the flow field. Hence, when employed in the thermal-hydraulic system analysis codes, it eliminates artificial bifurcations stemming from the use of the static flow regime transition criteria. Therefore, the interfacial area transport equation can make a leapfrog improvement in the current capability of the two-fluid model from both scientific and practical point of view. Accounting for the substantial differences in the transport phenomena of various sizes of bubbles, the two-group interfacial area transport equations have been developed. The group 1 equation describes the transport of small-dispersed bubbles that are either distorted or spherical in shapes, and the group 2 equation describes the transport of large cap, slug or churn-turbulent bubbles. The source and sink terms in the right hand-side of the transport equations have been established by mechanistically modeling the creation and destruction of bubbles due to major bubble interaction mechanisms. The coalescence mechanisms include the random collision driven by turbulence, and the entrainment of trailing bubbles in the wake region of the preceding bubble. The disintegration mechanisms include the break-up by turbulence impact, shearing-off at the rim of large cap bubbles and the break-up of large cap

Liquid-liquid interfacial properties of a symmetrical Lennard-Jones binary mixture

Energy Technology Data Exchange (ETDEWEB)

Martínez-Ruiz, F. J.; Blas, F. J., E-mail: felipe@uhu.es [Laboratorio de Simulación Molecular y Química Computacional, CIQSO-Centro de Investigación en Química Sostenible and Departamento de Física Aplicada, Universidad de Huelva, 21007 Huelva (Spain); Moreno-Ventas Bravo, A. I. [Laboratorio de Simulación Molecular y Química Computacional, CIQSO-Centro de Investigación en Química Sostenible and Departamento de Geología, Universidad de Huelva, 21007 Huelva (Spain)

2015-09-14

We determine the interfacial properties of a symmetrical binary mixture of equal-sized spherical Lennard-Jones molecules, σ{sub 11} = σ{sub 22}, with the same dispersive energy between like species, ϵ{sub 11} = ϵ{sub 22}, but different dispersive energies between unlike species low enough to induce phase separation. We use the extensions of the improved version of the inhomogeneous long-range corrections of Janecek [J. Phys. Chem. B 110, 6264 (2006)], presented recently by MacDowell and Blas [J. Chem. Phys. 131, 074705 (2009)] and Martínez-Ruiz et al. [J. Chem. Phys. 141, 184701 (2014)], to deal with the interaction energy and microscopic components of the pressure tensor. We perform Monte Carlo simulations in the canonical ensemble to obtain the interfacial properties of the symmetrical mixture with different cut-off distances r{sub c} and in combination with the inhomogeneous long-range corrections. The pressure tensor is obtained using the mechanical (virial) and thermodynamic route. The liquid-liquid interfacial tension is also evaluated using three different procedures, the Irving-Kirkwood method, the difference between the macroscopic components of the pressure tensor, and the test-area methodology. This allows to check the validity of the recent extensions presented to deal with the contributions due to long-range corrections for intermolecular energy and pressure tensor in the case of binary mixtures that exhibit liquid-liquid immiscibility. In addition to the pressure tensor and the surface tension, we also obtain density profiles and coexistence densities and compositions as functions of pressure, at a given temperature. According to our results, the main effect of increasing the cut-off distance r{sub c} is to sharpen the liquid-liquid interface and to increase the width of the biphasic coexistence region. Particularly interesting is the presence of a relative minimum in the total density profiles of the symmetrical mixture. This minimum is related

Liquid-liquid interfacial properties of a symmetrical Lennard-Jones binary mixture

International Nuclear Information System (INIS)

Martínez-Ruiz, F. J.; Blas, F. J.; Moreno-Ventas Bravo, A. I.

2015-01-01

We determine the interfacial properties of a symmetrical binary mixture of equal-sized spherical Lennard-Jones molecules, σ 11 = σ 22 , with the same dispersive energy between like species, ϵ 11 = ϵ 22 , but different dispersive energies between unlike species low enough to induce phase separation. We use the extensions of the improved version of the inhomogeneous long-range corrections of Janecek [J. Phys. Chem. B 110, 6264 (2006)], presented recently by MacDowell and Blas [J. Chem. Phys. 131, 074705 (2009)] and Martínez-Ruiz et al. [J. Chem. Phys. 141, 184701 (2014)], to deal with the interaction energy and microscopic components of the pressure tensor. We perform Monte Carlo simulations in the canonical ensemble to obtain the interfacial properties of the symmetrical mixture with different cut-off distances r c and in combination with the inhomogeneous long-range corrections. The pressure tensor is obtained using the mechanical (virial) and thermodynamic route. The liquid-liquid interfacial tension is also evaluated using three different procedures, the Irving-Kirkwood method, the difference between the macroscopic components of the pressure tensor, and the test-area methodology. This allows to check the validity of the recent extensions presented to deal with the contributions due to long-range corrections for intermolecular energy and pressure tensor in the case of binary mixtures that exhibit liquid-liquid immiscibility. In addition to the pressure tensor and the surface tension, we also obtain density profiles and coexistence densities and compositions as functions of pressure, at a given temperature. According to our results, the main effect of increasing the cut-off distance r c is to sharpen the liquid-liquid interface and to increase the width of the biphasic coexistence region. Particularly interesting is the presence of a relative minimum in the total density profiles of the symmetrical mixture. This minimum is related with a desorption of the

Interfacial microstructure and joining properties of Titanium–Zirconium–Molybdenum alloy joints brazed using Ti–28Ni eutectic brazing alloy

Energy Technology Data Exchange (ETDEWEB)

Song, X.G., E-mail: songxg@hitwh.edu.cn [State Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin 150001 (China); Shandong Provincial Key Lab of Special Welding Technology, Harbin Institute of Technology at Weihai, Weihai 264209 (China); Tian, X. [State Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin 150001 (China); Shandong Provincial Key Lab of Special Welding Technology, Harbin Institute of Technology at Weihai, Weihai 264209 (China); Zhao, H.Y. [Shandong Provincial Key Lab of Special Welding Technology, Harbin Institute of Technology at Weihai, Weihai 264209 (China); Si, X.Q.; Han, G.H.; Feng, J.C. [State Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin 150001 (China); Shandong Provincial Key Lab of Special Welding Technology, Harbin Institute of Technology at Weihai, Weihai 264209 (China)

2016-01-20

Vacuum brazing of Titanium–Zirconium–Molybdenum (Abbreviated as TZM) alloy using Ti–28Ni (wt%) eutectic brazing alloy was successfully achieved in this study. Reliable TZM brazed joints were obtained at the temperatures ranging from 1000 °C to 1160 °C for 600 s. The interfacial microstructure of TZM joints was characterized by employing SEM, EDS and XRD. The effects of brazing temperature on interfacial microstructure and joining properties were investigated in details. TZM brazed joints mainly consisted of δ-Ti{sub 2}Ni phase and Ti-based solid solution (Ti(s,s)). The interfacial microstructure of TZM joints was influenced obviously by brazing temperature. Both the thickness of brazing seam and the amount of δ-Ti{sub 2}Ni phase was reduced with the increasing brazing temperature, while the Ti(s,s) layer did not change significantly. The maximum average shear strength of TZM joints reached 107 MPa when brazed at 1080 °C. The presence of δ-Ti{sub 2}Ni intermetallic phase and crack-like structure in joints deteriorated the joining properties, which resulted in the formation of brittle fracture after shear test. In addition, fracture locations were related to the brazing temperature. When the brazing temperature was relatively low, cracks initiated and propagated in the continuous δ-Ti{sub 2}Ni layer. However, the fracture locations preferred to locating at the interface between TZM substrate and brazing seam when brazing temperature exceeded 1080 °C.

Aquivion Perfluorosulfonic Superacid as an Efficient Pickering Interfacial Catalyst for the Hydrolysis of Triglycerides.

Science.gov (United States)

Shi, Hui; Fan, Zhaoyu; Hong, Bing; Pera-Titus, Marc

2017-09-11

Rational design of the surface properties of heterogeneous catalysts can boost the interfacial activity in biphasic reactions through the generation of Pickering emulsions. This concept, termed Pickering interfacial catalysis (PIC), has shown promising credentials in acid-catalyzed transesterification, ester hydrolysis, acetalization, etherification, and alkylation reactions. PIC has now been applied to the efficient, solvent-free hydrolysis of the triglyceride glyceryl trilaurate to lauric acid, catalyzed by Aquivion perfluorosulfonic superacid at mild conditions (100 °C and ambient pressure). © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effect of Interfacial Modifying on Thermo-physical Properties of SiCp/Cu Composites

Directory of Open Access Journals (Sweden)

LIU Meng

2016-08-01

Full Text Available SiCp/Cu composites were successfully fabricated by vacuum hot-pressing method. Molybdenum coating was deposited on the surface of silicon carbide by sol-gel method. The effects of the interfacial design on thermo-physical properties of SiCp/Cu composites were studied. The results indicate that:continuous and uniform MoO3 coating can be deposited on the surface of silicon carbide by peroxomolybdic acid sol-gel system, and the best processing parameters are as follows:SiC:MoO3=5:1(mass ratio, H2O2:C2H5OH=1:1(volume ratio, and surface pretreatment with acetone and hydrofluoric acid is good to the deposition and growth of MoO3 coating. After hydrogen reduction at 540℃ for 90min the MoO3 is changed into MoO2, and then hydrogen reduction at 940℃ for 90min the MoO2 is changed into Mo absolutely, and the Mo coating is continuous and uniform. SiCp/Cu composites prepared by vacuum hot-pressing method show a compact and uniform microstructure, and the thermal conductivity of the composites is increased obviously after the Mo coating interfacial modification, which can reach 214.16W·m-1·K-1 when the volume of silicon carbide is about 50%.

Effect of ultrathin GeOx interfacial layer formed by thermal oxidation on Al2O3 capped Ge

International Nuclear Information System (INIS)

Han Le; Zhang Xiong; Wang Sheng-Kai; Xue Bai-Qing; Liu Hong-Gang; Wu Wang-Ran; Zhao Yi

2014-01-01

We propose a modified thermal oxidation method in which an Al 2 O 3 capping layer is used as an oxygen blocking layer (OBL) to form an ultrathin GeO x interfacial layer, and obtain a superior Al 2 O 3 /GeO x /Ge gate stack. The GeO x interfacial layer is formed in oxidation reaction by oxygen passing through the Al 2 O 3 OBL, in which the Al 2 O 3 layer could restrain the oxygen diffusion and suppress the GeO desorption during thermal treatment. The thickness of the GeO x interfacial layer would dramatically decrease as the thickness of Al 2 O 3 OBL increases, which is beneficial to achieving an ultrathin GeO x interfacial layer to satisfy the demand for small equivalent oxide thickness (EOT). In addition, the thickness of the GeO x interfacial layer has little influence on the passivation effect of the Al 2 O 3 /Ge interface. Ge (100) p-channel metal–oxide–semiconductor field-effect transistors (pMOSFETs) using the Al 2 O 3 /GeO x /Ge gate stacks exhibit excellent electrical characteristics; that is, a drain current on-off (I on /I off ) ratio of above 1×10 4 , a subthreshold slope of ∼ 120 mV/dec, and a peak hole mobility of 265 cm 2 /V·s are achieved. (condensed matter: structural, mechanical, and thermal properties)

The influence of interfacial properties on two-phase liquid flow of organic contaminants in groundwater

International Nuclear Information System (INIS)

Hayes, K.F.; Demond, A.H.

1991-09-01

The purpose of this project is to investigate how changes in interfacial chemical properties affect two-phase transport relationships. Specifically, the objective is to develop a quantitative means that will enable the prediction of changes in the capillary pressure-saturation relationship, a fundamental constitutive relationship in multiphase flow, from changes in interfacial properties, such as adsorption and electrophoretic mobility, through a knowledge of their effect on wettability. The information presented here summarizes the progress we have made in the past eight months of the second project period. Working with a system composed of air-water-silica-cetyltrimethylammonium bromide (CTAB), we have obtained a relationship between degree of adsorption and the surface charge of silica (as measured by electrophoretic mobility), and the drainage and imbibition capillary pressure relationships of system. The bulk of this report describes the completed set of measurements for the air-water-silica-CTAB system at pH 6. We are currently working on a comparable set of measurements for the xylene-water-silica-CTAB system at pH 6. Described here are the interfacial tension, contact angle and preliminary drainage capillary pressure measurements. Our work to date shows a dependence of surface properties on pH. Consequently, in the coming year, we will also complete a set of measurements at another pH value to show the effect of pH on capillary pressure relationships

Insilico study of the A(2A)R-D (2)R kinetics and interfacial contact surface for heteromerization.

Science.gov (United States)

Prakash, Amresh; Luthra, Pratibha Mehta

2012-10-01

G-protein-coupled receptors (GPCRs) are cell surface receptors. The dynamic property of receptor-receptor interactions in GPCRs modulates the kinetics of G-protein signaling and stability. In the present work, the structural and dynamic study of A(2A)R-D(2)R interactions was carried to acquire the understanding of the A(2A)R-D(2)R receptor activation and deactivation process, facilitating the design of novel drugs and therapeutic target for Parkinson's disease. The structure-based features (Alpha, Beta, SurfAlpha, and SurfBeta; GapIndex, Leakiness and Gap Volume) and slow mode model (ENM) facilitated the prediction of kinetics (K (off), K (on), and K (d)) of A(2A)R-D(2)R interactions. The results demonstrated the correlation coefficient 0.294 for K (d) and K (on) and the correlation coefficient 0.635 for K (d) and K (off), and indicated stable interfacial contacts in the formation of heterodimer. The coulombic interaction involving the C-terminal tails of the A(2A)R and intracellular loops (ICLs) of D(2)R led to the formation of interfacial contacts between A(2A)R-D(2)R. The properties of structural dynamics, ENM and KFC server-based hot-spot analysis illustrated the stoichiometry of A(2A)R-D(2)R contact interfaces as dimer. The propensity of amino acid residues involved in A(2A)R-D(2)R interaction revealed the presence of positively (R, H and K) and negatively (E and D) charged structural motif of TMs and ICL3 of A(2A)R and D(2)R at interface of dimer contact. Essentially, in silico structural and dynamic study of A(2A)R-D(2)R interactions will provide the basic understanding of the A(2A)R-D(2)R interfacial contact surface for activation and deactivation processes, and could be used as constructive model to recognize the protein-protein interactions in receptor assimilations.

Exploiting interfacial water properties for desalination and purification applications.

Energy Technology Data Exchange (ETDEWEB)

Xu, Hongwu (Los Alamos National Laboratory, Los Alamos, NM); Varma, Sameer; Nyman, May Devan; Alam, Todd Michael; Thuermer, Konrad; Holland, Gregory P.; Leung, Kevin; Liu, Nanguo (University of New Mexico Albuquerque, NM); Xomeritakis, George K. (University of New Mexico Albuquerque, NM); Frankamp, Benjamin L.; Siepmann, J. Ilja (University of Minnesota, Minneapolis, MN); Cygan, Randall Timothy; Hartl, Monika A. (Los Alamos National Laboratory, Los Alamos, NM); Travesset, Alex (Iowa State University, Ames, IA); Anderson, Joshua A. (Iowa State University, Ames, IA); Huber, Dale L.; Kissel, David J. (University of New Mexico Albuquerque, NM); Bunker, Bruce Conrad; Lorenz, Christian Douglas; Major, Ryan C. (University of Minnesota, Minneapolis, MN); McGrath, Matthew J. (University of Minnesota, Minneapolis, MN); Farrow, Darcie; Cecchi, Joseph L. (University of New Mexico Albuquerque, NM); van Swol, Frank B.; Singh, Seema; Rempe, Susan B.; Brinker, C. Jeffrey; Clawson, Jacalyn S.; Feibelman, Peter Julian; Houston, Jack E.; Crozier, Paul Stewart; Criscenti, Louise Jacqueline; Chen, Zhu (University of New Mexico Albuquerque, NM); Zhu, Xiaoyang (University of Minnesota, Minneapolis, MN); Dunphy, Darren Robert (University of New Mexico Albuquerque, NM); Orendorff, Christopher J.; Pless, Jason D.; Daemen, Luke L. (Los Alamos National Laboratory, Los Alamos, NM); Gerung, Henry (University of New Mexico Albuquerque, NM); Ockwig, Nathan W.; Nenoff, Tina Maria; Jiang, Ying-Bing; Stevens, Mark Jackson

2008-09-01

A molecular-scale interpretation of interfacial processes is often downplayed in the analysis of traditional water treatment methods. However, such an approach is critical for the development of enhanced performance in traditional desalination and water treatments. Water confined between surfaces, within channels, or in pores is ubiquitous in technology and nature. Its physical and chemical properties in such environments are unpredictably different from bulk water. As a result, advances in water desalination and purification methods may be accomplished through an improved analysis of water behavior in these challenging environments using state-of-the-art microscopy, spectroscopy, experimental, and computational methods.

Ion irradiation effects in structural and magnetic properties of Co/Cu multilayers

International Nuclear Information System (INIS)

Sakamoto, Isao; Okazaki, Satoshi; Koike, Masaki; Honda, Shigeo

2012-01-01

400 keV Ar ion (the Ar ion) and 50 keV He ion (the He ion) irradiations were performed in order to elucidate roles of Co/Cu interfacial structures in physical origins of giant magnetoresistance (GMR) in the [Co (2 nm)/Cu (2 nm)] 30 multilayers (MLs). The magnetoresistance (MR) ratio after the Ar ion irradiation decreases abruptly with increasing Ar ion fluence. On the other hand, the MR ratio after the He ion irradiation decreases slowly with increasing He ion fluence. The Ar ion irradiation induces the decrease in the difference (R max − R sat ) between the maximum resistance (R max ) and the saturated resistance (R sat ) under in-plane magnetic field and the increase in the R sat , although the effect of the He ion irradiation is not remarkable. The decrease in the (R max − R sat ) rather than the increase in the R sat seems to be effective for the decrease in the MR ratios after the Ar ion and the He ion irradiation. The increase in the R sat implies the mixing of Co atoms in Cu layers. The antiferromagnetic coupling fraction (AFF) estimated from the magnetization curves after the Ar ion and the He ion irradiation shows the similar behavior with the MR ratio as a function of ion fluence. Therefore, although the degrees of the irradiation effects by the Ar ion and the He ions are different, we suggest the relation between the GMR and the AFF affected by the ion-induced interfacial structures accompanied with the atomic mixing in the interfacial region.

Effects of oxygen plasma treatment on domestic aramid fiber III reinforced bismaleimide composite interfacial properties

Science.gov (United States)

Shi, Chen; Wang, Jing; Chen, Ping; Feng, Jiayue; Cui, Jinyuan; Yang, Faze

2017-12-01

Domestic Aramid Fiber III (DAF III) was modified by oxygen plasma treatment. The fiber surface characteristics was observed by Scanning Electron Microscopy. The results showed that oxygen plasma treatment changed surface morphologies. The effects of oxygen plasma treatment on DAF III reinforced bismaleimides (BMI) composite bending and interfacial properties were investigated, respectively. The ILSS value increased from 49.3 MPa to 56.0 MPa (by 13.5%) after oxygen plasma treatment. The bending strength changed a little. Furthermore, the composite rupture mode changed from interfacial rupture to fiber or resin bulk rupture.

A Quantitative Exploration of the Effect of Interfacial Phenomena on the Thermomechanical Properties of Polymer Nanocomposites

Science.gov (United States)

Natarajan, Bharath

Polymer nanocomposites (PNC) are complex material systems in which the prevailing length scales, i.e., the particle size, radii of gyration of the polymer and the interparticle spacing, converge. This convergence leads to an increased dominance of the interface polymer over bulk properties, when compared to conventional "microcomposites". The development of fascinating nanoscopic filler materials (C60, nanotubes, graphene, quantum dots) along with this potential gain in interfacial area has fueled the expansion of PNCs. Nanocomposites literature has demonstrated a myriad of potential chemistries and self assembled structures that could significantly impact a diverse range of applications. However, most noteworthy results in this field are serendipitous and/or are outcomes of resource-intensive "trial and error" experiments supplemented by intuition. Intuition suggests, qualitatively, that the properties of PNCs depend on the individual properties of the participating species, the interphase and the spatial distribution of filler particles. However, the individual roles of these parameters are difficult to identify, since they are interrelated due to their co-dependence on the chemical constitution of the filler and matrix. A quantitative unifying picture is yet to emerge and the commercialization of this material class has been severely hampered by the lack of design rules and structure-property constitutive relationships that would aid in the prediction of bulk properties. In this thesis, a quantitative understanding of interfacial phenomena was sought and structure-property relationships between the filler/matrix interface chemistry and the dispersion and thermomechanical properties of PNCs were obtained by systematic experiments on 2 distinct kinds of nanocomposite systems (a) Enthalpic short silane modified fillers and (b) Entropic long polymer chain grafted filler embedded PNCs. In order to quantitatively understand the role of enthalpic compatibility, an

Magnetism by interfacial hybridization and p-type doping of MoS(2) in Fe(4)N/MoS(2) superlattices: a first-principles study.

Science.gov (United States)

Feng, Nan; Mi, Wenbo; Cheng, Yingchun; Guo, Zaibing; Schwingenschlögl, Udo; Bai, Haili

2014-03-26

Magnetic and electronic properties of Fe4N(111)/MoS2(√3 × √3) superlattices are investigated by first-principles calculations, considering two models: (I) Fe(I)Fe(II)-S and (II) N-S interfaces, each with six stacking configurations. In model I, strong interfacial hybridization between Fe(I)/Fe(II) and S results in magnetism of monolayer MoS2, with a magnetic moment of 0.33 μB for Mo located on top of Fe(I). For model II, no magnetism is induced due to weak N-S interfacial bonding, and the semiconducting nature of monolayer MoS2 is preserved. Charge transfer between MoS2 and N results in p-type MoS2 with Schottky barrier heights of 0.5-0.6 eV. Our results demonstrate that the interfacial geometry and hybridization can be used to tune the magnetism and doping in Fe4N(111)/MoS2(√3 × √3) superlattices.

Vacuum ultraviolet excited photoluminescence properties of Gd2O2CO3:Eu3+ phosphor

Institute of Scientific and Technical Information of China (English)

WANG Zhilong; WANG Yuhua; ZHANG Jiachi

2008-01-01

The Gd2O2CO3:Eu3+ with type-II structure phosphor was successfully synthesized via flux method at 400℃ and their photoluminescence properties in vacuum ultraviolet (VUV) region were examined. The broad and strong excitation bands in the range of 153-205 nm owing to the CO32- host absorption and charge transfer (CT) of Gd3+-O2- were observed for Gd2O2CO3:Eu3+. Under 172 nm excitation, Gd2O2CO3:Eu3+ exhibited strong red emission with good color purity, indicating Eu3+ ions located at low symmetry sites and the chromaticity coordination of luminescence for Gd2O2CO3:Eu3+ was (x=0.652, y=0.345). The photoluminescence quenching concentration of Eu3+ excited by 172 nm for Gd2O2CO3:Eu3+ was about 5%. Gd2O2CO3:Eu3+ would be a potential VUV-excited red phosphor applied in mercury-free fluorescent lamps.

Joining of Si3N4 ceramic using PdCo(NiSiB–V system brazing filler alloy and interfacial reactions

Directory of Open Access Journals (Sweden)

Huaping Xiong

2014-02-01

Full Text Available The wettability of V-active PdCo-based alloys on Si3N4 ceramic was studied with the sessile drop method. And the alloy of Pd50.0–Co33.7–Ni4.0–Si2.0–B0.7–V9.6 (wt%, was developed for Si3N4 ceramic joining in the present investigation. The rapidly-solidified brazing foils were fabricated by the alloy Pd50.0–Co33.7–Ni4.0–Si2.0–B0.7–V9.6. The average room-temperature three-point bend strength of the Si3N4/Si3N4 joints brazed at 1453 K for 10 min was 205.6 MPa, and the newly developed braze gives joint strengths of 210.9 MPa, 206.6 MPa and 80.2 MPa at high temperatures of 973 K, 1073 K and 1173 K respectively. The interfacial reaction products in the Si3N4/Si3N4 joint brazed at 1453 K for 10 min were identified to be VN and Pd2Si by XRD analysis. Based on the XEDS analysis result, the residual brazing alloy existing at the central part of the joint was verified as Co-rich phases, in which the concentration of element Pd was high up to 18.0–19.1 at%. The mechanism of the interfacial reactions was discussed. Pd should be a good choice as useful alloying element in newer high-temperature braze candidates for the joining of Si-based ceramics.

Bifunctional Interface of Au and Cu for Improved CO2 Electroreduction.

Science.gov (United States)

Back, Seoin; Kim, Jun-Hyuk; Kim, Yong-Tae; Jung, Yousung

2016-09-07

Gold is known currently as the most active single-element electrocatalyst for CO2 electroreduction reaction to CO. In this work, we combine Au with a second metal element, Cu, to reduce the amount of precious metal content by increasing the surface-to-mass ratio and to achieve comparable activity to Au-based catalysts. In particular, we demonstrate that the introduction of a Au-Cu bifunctional "interface" is more beneficial than a simple and conventional homogeneous alloying of Au and Cu in stabilizing the key intermediate species, *COOH. The main advantages of the proposed metal-metal bifunctional interfacial catalyst over the bimetallic alloys include that (1) utilization of active materials is improved, and (2) intrinsic properties of metals are less affected in bifunctional catalysts than in alloys, which can then facilitate a rational bifunctional design. These results demonstrate for the first time the importance of metal-metal interfaces and morphology, rather than the simple mixing of the two metals homogeneously, for enhanced catalytic synergies.

Evaluation of interfacial mechanical properties under shear loading in EB-PVD TBCs by the pushout method

Energy Technology Data Exchange (ETDEWEB)

Kim, Sang-Seok [Research Center for Advanced Science and Technology, University of Tokyo, Tokyo 153-8904 (Japan); Liu Yufu [Research Center for Advanced Science and Technology, University of Tokyo, Tokyo 153-8904 (Japan); Kagawa, Yutaka [Research Center for Advanced Science and Technology, University of Tokyo, Tokyo 153-8904 (Japan)]. E-mail: kagawa@iis.u-tokyo.ac.jp

2007-06-15

A new simple pushout technique for evaluation of interfacial shear mechanical properties in thermal barrier coatings has been developed. The technique is similar to the pushout test of fiber-reinforced ceramics, except for the specimen shape and support method. The technique has been applied to evaluation of interfacial delamination toughness, {gamma} {sub i}, of the electron beam physical vapor deposition (EB-PVD) ZrO{sub 2} thermal barrier coating (TBC) system. The change of {gamma} {sub i} in the EB-PVD system with thermal exposure is measured and discussed in terms of microstructural change and delamination crack path. The measured delamination toughness varied from {gamma} {sub i} = 10 to 115 J/m{sup 2}. The delamination path and TGO growth were found to be closely related. The delamination toughness significantly decreases due to the formation and growth of a spinel phase in the TGO layer. The relation between delamination toughness and delamination behavior is discussed.

Effect of Interfacial Polarization and Water Absorption on the Dielectric Properties of Epoxy-Nanocomposites

Directory of Open Access Journals (Sweden)

Philipp Marx

2017-05-01

Full Text Available Five types of nanofillers, namely, silica, surface-silylated silica, alumina, surface-silylated alumina, and boron nitride, were tested in this study. Nanocomposites composed of an epoxy/amine resin and one of the five types of nanoparticles were tested as dielectrics with a focus on (i the surface functionalization of the nanoparticles and (ii the water absorption by the materials. The dispersability of the nanoparticles in the resin correlated with the composition (OH content of their surfaces. The interfacial polarization of the thoroughly dried samples was found to increase at lowered frequencies and increased temperatures. The β relaxation, unlike the interfacial polarization, was not significantly increased at elevated temperatures (below the glass-transition temperature. Upon the absorption of water under ambient conditions, the interfacial polarization increased significantly, and the insulating properties decreased or even deteriorated. This effect was most pronounced in the nanocomposite containing silica, and occurred as well in the nanocomposites containing silylated silica or non-functionalized alumina. The alternating current (AC breakdown strength of all specimens was in the range of 30 to 35 kV·mm−1. In direct current (DC breakdown tests, the epoxy resin exhibited the lowest strength of 110 kV·mm−1; the nanocomposite containing surface-silylated alumina had a strength of 170 kV·mm−1. In summary, water absorption had the most relevant impact on the dielectric properties of nanocomposites containing nanoparticles, the surfaces of which interacted with the water molecules. Nanocomposites containing silylated alumina particles or boron nitride showed the best dielectric properties in this study.

Microfluidic ultralow interfacial tensiometry with magnetic particles.

Science.gov (United States)

Tsai, Scott S H; Wexler, Jason S; Wan, Jiandi; Stone, Howard A

2013-01-07

We describe a technique that measures ultralow interfacial tensions using paramagnetic spheres in a co-flow microfluidic device designed with a magnetic section. Our method involves tuning the distance between the co-flowing interface and the magnet's center, and observing the behavior of the spheres as they approach the liquid-liquid interface-the particles either pass through or are trapped by the interface. Using threshold values of the magnet-to-interface distance, we make estimates of the two-fluid interfacial tension. We demonstrate the effectiveness of this technique for measuring very low interfacial tensions, O(10(-6)-10(-5)) N m(-1), by testing solutions of different surfactant concentrations, and we show that our results are comparable with measurements made using a spinning drop tensiometer.

Interfacial enhancement of carbon fiber composites by growing TiO2 nanowires onto amine-based functionalized carbon fiber surface in supercritical water

Science.gov (United States)

Ma, Lichun; Li, Nan; Wu, Guangshun; Song, Guojun; Li, Xiaoru; Han, Ping; Wang, Gang; Huang, Yudong

2018-03-01

A novel amine-based functionalization method was developed to improve the interfacial adhesion between TiO2 NWs and CFs in supercritical water. The microstructure, morphology and mechanical properties of CFs were investigated. It was found that introducing hexamethylenetetramine (HMTA) dendrimers and branched polyethyleneimine (PEI) on CF could increase significantly the adhesion strength between CF and TiO2 NWs and their interfacial shear strength with epoxy resin, and the order is CF-PEI-TiO2 NWs > CF-HMTA-TiO2 NWs > CF-COOH-TiO2 NWs > CF-TiO2 NW. Meanwhile, the reinforcing mechanisms and interfacial failure modes have also been discussed. We believe that these effective methods may provide theoretical foundation for the preparation of high performance composite materials.

Interfacial forces in aqueous media

CERN Document Server

van Oss, Carel J

2006-01-01

Thoroughly revised and reorganized, the second edition of Interfacial Forces in Aqueous Media examines the role of polar interfacial and noncovalent interactions among biological and nonbiological macromolecules as well as biopolymers, particles, surfaces, cells, and both polar and apolar polymers. The book encompasses Lifshitz-van der Waals and electrical double layer interactions, as well as Lewis acid-base interactions between colloidal entities in polar liquids such as water. New in this Edition: Four previously unpublished chapters comprising a new section on interfacial propertie

Poly(o-phenylenediamine)/NiCoFe2O4 nanocomposites: Synthesis, characterization, magnetic and dielectric properties

Science.gov (United States)

Kannapiran, Nagarajan; Muthusamy, Athianna; Chitra, Palanisamy; Anand, Siddeswaran; Jayaprakash, Rajan

2017-02-01

In this study, poly(o-phenylenediamine) (PoPD)/NiCoFe2O4 nanocomposites were synthesized by in-situ oxidative chemical polymerization method with different amount of NiCoFe2O4 nanoparticles. The NiCoFe2O4 nanoparticles were prepared by auto-combustion method. The structural, morphological, thermal properties of the synthesized PoPD/NiCoFe2O4 nanocomposites were characterized by fourier transform infrared spectrum (FTIR), X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and thermogravimetric analysis (TGA). Magnetic properties of NiCoFe2O4 nanoparticles and PoPD/NiCoFe2O4 nanocomposites were studied by vibrating sample magnetometer (VSM). The FTIR and XRD techniques were used to confirm the formation of PoPD/NiCoFe2O4 nanocomposites. The average crystalline size of NiCoFe2O4 nanoparticles and PoPD/NiCoFe2O4 nanocomposites were calculated from XRD. From the SEM analysis, spherical morphology of the PoPD was confirmed. The TGA results showed that the NiCoFe2O4 nanoparticles have improved the thermal stability of PoPD. Dielectric properties of PoPD/NiCoFe2O4 nanocomposites at different temperatures have been carried in the frequency range 50 Hz to 5 MHz.

Investigating the effect of steam, CO{sub 2}, and surfactant on the recovery of heavy oil reservoirs

Energy Technology Data Exchange (ETDEWEB)

Tian, S.; He, S. [China Univ. of Petroleum, Beijing (China). MOE Key Laboratory of Petroleum Engineering; Qu, L. [Shengli Oil Field Co. (China)]|[SINOPEC, Shengli (China)

2008-10-15

This paper presented the results of a laboratory study and numerical simulation in which the mechanisms of steam injection with carbon dioxide (CO{sub 2}) and surfactant were investigated. The incremental recoveries of 4 different scenarios were compared and analyzed in terms of phase behaviour. The study also investigated the effect of CO{sub 2} dissolution in oil and water; variation of properties of CO{sub 2}-oil phase equilibrium and CO{sub 2}-water phase equilibrium; variation of viscosity; and, oil volume and interfacial tension (IFT) during the recovery process. The expansion of a steam and CO{sub 2} front was also examined. A field application case of a horizontal well in a heavy oil reservoir in Shengli Oilfield in China was used to determine the actual dynamic performance of the horizontal well and to optimize the injection parameters of the CO{sub 2} and surfactant. The study revealed that oil recovery with the simultaneous injection of steam, CO{sub 2} and surfactant was higher than that of steam injection, steam with CO{sub 2} and steam with surfactant. The improved flow performance in super heavy oil reservoirs could be attributed to CO{sub 2} dissolution in oil which can swell the oil and reduce oil viscosity significantly. The proportion of CO{sub 2} in the free gas phase, oil phase and water phase varies with changes in reservoir pressure and temperature. CO{sub 2} decreases the temperature of the steam slightly, while the surfactant decreases the interfacial tension and helps to improve oil recovery. The study showed that the amount of injected CO{sub 2} and steam has a large effect on heavy oil recovery. Although oil production was found to increase with an increase in injected amounts, the ratio of oil to injected fluids must be considered to achieve optimum recovery. High steam quality and temperature can also improve super heavy oil recovery. The oil recovery was less influenced by the effect of the surfactant than by the effect of CO{sub 2

Unraveling Unprecedented Charge Carrier Mobility through Structure Property Relationship of Four Isomers of Didodecyl[1]benzothieno[3,2-b][1]benzothiophene.

Science.gov (United States)

Tsutsui, Yusuke; Schweicher, Guillaume; Chattopadhyay, Basab; Sakurai, Tsuneaki; Arlin, Jean-Baptiste; Ruzié, Christian; Aliev, Almaz; Ciesielski, Artur; Colella, Silvia; Kennedy, Alan R; Lemaur, Vincent; Olivier, Yoann; Hadji, Rachid; Sanguinet, Lionel; Castet, Frédéric; Osella, Silvio; Dudenko, Dmytro; Beljonne, David; Cornil, Jérôme; Samorì, Paolo; Seki, Shu; Geerts, Yves H

2016-09-01

The structural and electronic properties of four isomers of didodecyl[1]-benzothieno[3,2-b][1]benzothiophene (C12-BTBT) have been investigated. Results show the strong impact of the molecular packing on charge carrier transport and electronic polarization properties. Field-induced time-resolved microwave conductivity measurements unravel an unprecedented high average interfacial mobility of 170 cm(2) V(-1) s(-1) for the 2,7-isomer, holding great promise for the field of organic electronics. © 2016 The Authors. Published by WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Band Offsets and Interfacial Properties of HfAlO Gate Dielectric Grown on InP by Atomic Layer Deposition.

Science.gov (United States)

Yang, Lifeng; Wang, Tao; Zou, Ying; Lu, Hong-Liang

2017-12-01

X-ray photoelectron spectroscopy and high-resolution transmission electron microscopy have been used to determine interfacial properties of HfO 2 and HfAlO gate dielectrics grown on InP by atomic layer deposition. An undesirable interfacial InP x O y layer is easily formed at the HfO 2 /InP interface, which can severely degrade the electrical performance. However, an abrupt interface can be achieved when the growth of the HfAlO dielectric on InP starts with an ultrathin Al 2 O 3 layer. The valence and conduction band offsets for HfAlO/InP heterojunctions have been determined to be 1.87 ± 0.1 and 2.83 ± 0.1 eV, respectively. These advantages make HfAlO a potential dielectric for InP MOSFETs.

PVTx properties of the CO2-H2O and CO2-H2O-NaCl systems below 647 K: assessment of experimental data and thermodynamic models

Science.gov (United States)

Hu, Jiawen; Duan, Zhenhao; Zhu, Chen; Chou, I.-Ming

2007-01-01

Evaluation of CO2 sequestration in formation brine or in seawater needs highly accurate experimental data or models of pressure–volume–temperature-composition (PVTx) properties for the CO2–H2O and CO2–H2O–NaCl systems. This paper presents a comprehensive review of the experimental PVTx properties and the thermodynamic models of these two systems. The following conclusions are drawn from the review: (1) About two-thirds of experimental data are consistent with each other, where the uncertainty in liquid volumes is within 0.5%, and that in gas volumes within 2%. However, this accuracy is not sufficient for assessing CO2 sequestration. Among the data sets for liquids, only a few are available for accurate modeling of CO2 sequestration. These data have an error of about 0.1% on average, roughly covering from 273 to 642 K and from 1 to 35 MPa; (2) There is a shortage of volumetric data of saturated vapor phase. (3) There are only a few data sets for the ternary liquids, and they are inconsistent with each other, where only a couple of data sets can be used to test a predictive density model for CO2 sequestration; (4) Although there are a few models with accuracy close to that of experiments, none of them is accurate enough for CO2 sequestration modeling, which normally needs an accuracy of density better than 0.1%. Some calculations are made available on www.geochem-model.org.

Impact of Interfacial Layers in Perovskite Solar Cells.

Science.gov (United States)

Cho, An-Na; Park, Nam-Gyu

2017-10-09

Perovskite solar cells (PCSs) are composed of organic-inorganic lead halide perovskite as the light harvester. Since the first report on a long-term-durable, 9.7 % efficient, solid-state perovskite solar cell, organic-inorganic halide perovskites have received considerable attention because of their excellent optoelectronic properties. As a result, a power conversion efficiency (PCE) exceeding 22 % was certified. Controlling the grain size, grain boundary, morphology, and defects of the perovskite layer is important for achieving high efficiency. In addition, interfacial engineering is equally or more important to further improve the PCE through better charge collection and a reduction in charge recombination. In this Review, the type of interfacial layers and their impact on photovoltaic performance are investigated for both the normal and the inverted cell architectures. Four different interfaces of fluorine-doped tin oxide (FTO)/electron-transport layer (ETL), ETL/perovskite, perovskite/hole-transport layer (HTL), and HTL/metal are classified, and their roles are investigated. The effects of interfacial engineering with organic or inorganic materials on photovoltaic performance are described in detail. Grain-boundary engineering is also included because it is related to interfacial engineering and the grain boundary in the perovskite layer plays an important role in charge conduction, recombination, and chargecarrier life time. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Experimental Investigation of Mechanical Properties of Black Shales after CO2-Water-Rock Interaction

Directory of Open Access Journals (Sweden)

Qiao Lyu

2016-08-01

Full Text Available The effects of CO2-water-rock interactions on the mechanical properties of shale are essential for estimating the possibility of sequestrating CO2 in shale reservoirs. In this study, uniaxial compressive strength (UCS tests together with an acoustic emission (AE system and SEM and EDS analysis were performed to investigate the mechanical properties and microstructural changes of black shales with different saturation times (10 days, 20 days and 30 days in water dissoluted with gaseous/super-critical CO2. According to the experimental results, the values of UCS, Young’s modulus and brittleness index decrease gradually with increasing saturation time in water with gaseous/super-critical CO2. Compared to samples without saturation, 30-day saturation causes reductions of 56.43% in UCS and 54.21% in Young’s modulus for gaseous saturated samples, and 66.05% in UCS and 56.32% in Young’s modulus for super-critical saturated samples, respectively. The brittleness index also decreases drastically from 84.3% for samples without saturation to 50.9% for samples saturated in water with gaseous CO2, to 47.9% for samples saturated in water with super-critical carbon dioxide (SC-CO2. SC-CO2 causes a greater reduction of shale’s mechanical properties. The crack propagation results obtained from the AE system show that longer saturation time produces higher peak cumulative AE energy. SEM images show that many pores occur when shale samples are saturated in water with gaseous/super-critical CO2. The EDS results show that CO2-water-rock interactions increase the percentages of C and Fe and decrease the percentages of Al and K on the surface of saturated samples when compared to samples without saturation.

Experimental Investigation of Mechanical Properties of Black Shales after CO2-Water-Rock Interaction

Science.gov (United States)

Lyu, Qiao; Ranjith, Pathegama Gamage; Long, Xinping; Ji, Bin

2016-01-01

The effects of CO2-water-rock interactions on the mechanical properties of shale are essential for estimating the possibility of sequestrating CO2 in shale reservoirs. In this study, uniaxial compressive strength (UCS) tests together with an acoustic emission (AE) system and SEM and EDS analysis were performed to investigate the mechanical properties and microstructural changes of black shales with different saturation times (10 days, 20 days and 30 days) in water dissoluted with gaseous/super-critical CO2. According to the experimental results, the values of UCS, Young’s modulus and brittleness index decrease gradually with increasing saturation time in water with gaseous/super-critical CO2. Compared to samples without saturation, 30-day saturation causes reductions of 56.43% in UCS and 54.21% in Young’s modulus for gaseous saturated samples, and 66.05% in UCS and 56.32% in Young’s modulus for super-critical saturated samples, respectively. The brittleness index also decreases drastically from 84.3% for samples without saturation to 50.9% for samples saturated in water with gaseous CO2, to 47.9% for samples saturated in water with super-critical carbon dioxide (SC-CO2). SC-CO2 causes a greater reduction of shale’s mechanical properties. The crack propagation results obtained from the AE system show that longer saturation time produces higher peak cumulative AE energy. SEM images show that many pores occur when shale samples are saturated in water with gaseous/super-critical CO2. The EDS results show that CO2-water-rock interactions increase the percentages of C and Fe and decrease the percentages of Al and K on the surface of saturated samples when compared to samples without saturation. PMID:28773784

Development of interfacial area transport equation

International Nuclear Information System (INIS)

Kim, Seung Jin; Ishii, Mamoru; Kelly, Joseph

2005-01-01

The interfacial area transport equation dynamically models the changes in interfacial structures along the flow field by mechanistically modeling the creation and destruction of dispersed phase. Hence, when employed in the numerical thermal-hydraulic system analysis codes, it eliminates artificial bifurcations stemming from the use of the static flow regime transition criteria. Accounting for the substantial differences in the transport mechanism for various sizes of bubbles, the transport equation is formulated for two characteristic groups of bubbles. The group 1 equation describes the transport of small-dispersed bubbles, whereas the group 2 equation describes the transport of large cap, slug or churn-turbulent bubbles. To evaluate the feasibility and reliability of interfacial area transport equation available at present, it is benchmarked by an extensive database established in various two-phase flow configurations spanning from bubbly to churn-turbulent flow regimes. The geometrical effect in interfacial area transport is examined by the data acquired in vertical air-water two-phase flow through round pipes of various sizes and a confined flow duct, and by those acquired in vertical co-current downward air-water two-phase flow through round pipes of two different sizes

Linking interfacial chemistry of CO2 to surface structures of hydrated metal oxide nanoparticles: hematite.

Science.gov (United States)

Chernyshova, Irina V; Ponnurangam, Sathish; Somasundaran, Ponisseril

2013-05-14

A better understanding of interaction with dissolved CO2 is required to rationally design and model the (photo)catalytic and sorption processes on metal (hydr)oxide nanoparticles (NPs) in aqueous media. Using in situ FTIR spectroscopy, we address this problem for rhombohedral 38 nm hematite (α-Fe2O3) nanoparticles as a model. We not only resolve the structures of the adsorbed carbonate species, but also specify their adsorption sites and their location on the nanoparticle surface. The spectral relationships obtained present a basis for a new method of characterizing the microscopic structural and acid-base properties (related to individual adsorption sites) of hydrated metal (hydr)oxide NPs using atmospherically derived CO2 as a probe. Specifically, we distinguish two carbonate species suggesting two principally different adsorption mechanisms. One species, which is more weakly adsorbed, has an inner-sphere mononuclear monodentate structure which is formed by a conventional ligand-exchange mechanism. At natural levels of dissolved carbonate and pH from 3 to 11, this species is attached to the most acidic/reactive surface cations (surface states) associated with ferrihydrite-like surface defects. The second species, which is more strongly adsorbed, presents a mixed C and O coordination of bent CO2. This species uniquely recognizes the stoichiometric rhombohedral {104} facets in the NP texture. Like in gas phase, it is formed through the surface coordination of molecular CO2. We address how the adsorption sites hosting these two carbonate species are affected by the annealing and acid etching of the NPs. These results support the nanosize-induced phase transformation of hematite towards ferrihydrite under hydrous conditions, and additionally show that the process starts from the roughened areas of the facet intersections.

Interfacial properties of the enhanced visible-light plasmonic Ag/Bi{sub 2}WO{sub 6} (0 0 1) nanocomposite

Energy Technology Data Exchange (ETDEWEB)

Wang, Fang [State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation, Southwest Petroleum University, Chengdu 610500 (China); The Center of New Energy Materials and Technology, School of Materials Science and Engineering, Southwest Petroleum University, Chengdu 610500 (China); Cao, Kun; Wu, Yi [The Center of New Energy Materials and Technology, School of Materials Science and Engineering, Southwest Petroleum University, Chengdu 610500 (China); Zhang, Kun-Hao [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201204 (China); Zhou, Ying, E-mail: yzhou@swpu.edu.cn [State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation, Southwest Petroleum University, Chengdu 610500 (China); The Center of New Energy Materials and Technology, School of Materials Science and Engineering, Southwest Petroleum University, Chengdu 610500 (China)

2016-01-01

Graphical abstract: - Highlights: • The parallel adsorption of silver on Bi{sub 2}WO{sub 6} (0 0 1) makes energetically favorable configurations. The positive charged Ag cluster may act as excited electron traps. • New isolated levels appear above the valence bands due to the hybridization of Ag 5s and O 2p, and they become dispersed as Ag content increases. This is responsible for the improved visible-light response. • Optical spectra confirm obvious red-shifts of the absorption edge with the increment of silver content, which enhances efficiently the photocatalytic activity of Bi{sub 2}WO{sub 6} (0 0 1). - Abstract: First principle calculations are performed to study the interfacial photoelectric properties of Ag{sub n}/Bi{sub 2}WO{sub 6} (0 0 1) (n = 1, 2, 3, 4) hybrid photocatalyst. The parallel adsorption of Ag cluster leads to more energetic favorable structures due to stronger interfacial interactions. The positive charged Ag cluster may act as excited electron traps and facilitate the electron–hole separation. In particular, hybridization between Ag 5s and O 2p leads to the formation of isolated energy levels above the valence bands, and they become more dispersed with broader bandwidth with the increment of silver cluster size, which is responsible for the enhanced absorption in visible-light region. In the deep valence region, Ag 4d orbital turns more delocalized and hybrid with O 2p states as the cluster size increases, which contributes to more covalent bond feature of Ag–O. Moreover, optical spectra demonstrate obvious red-shifts of the absorption edge with the increment of silver content, which enhances efficiently the visible-light photocatalytic activities of Bi{sub 2}WO{sub 6} (0 0 1). The study provides insights into the enhanced photocatalyic mechanism of Ag/Bi{sub 2}WO{sub 6} (0 0 1) and aids in the design of noble metal loaded visible-light plasmonic photocatalyst.

Adjustable ferromagnetic resonance frequency in CoO/CoFeB system

Energy Technology Data Exchange (ETDEWEB)

Bonneau-Brault, A. [CEA Le Ripault, BP16, 37260 Monts (France); GREMAN, CNRS UMR 7347, University of Tours, 37200 Tours (France); Dubourg, S. [CEA Le Ripault, BP16, 37260 Monts (France); Thiaville, A. [LPS, CNRS UMR 8502, University of Paris-Sud, 91405 Orsay Cedex (France); Rioual, S. [LMB EA4522, University of Brest, 6 av. Le Gorgeu, 29238 Brest Cedex 3 (France); Valente, D. [GREMAN, CNRS UMR 7347, University of Tours, 37200 Tours (France)

2015-01-21

Static and dynamic properties of (CoO/CoFeB){sub n} multilayers have been investigated. An anisotropy field enhancement was evidenced when the CoO layer was deposited under the CoFeB layer. Tuning the relative CoFeB and CoO layers thicknesses, high ferromagnetic resonance frequencies up to 4 GHz were achieved. The coupling effect between the CoO and CoFeB layers was induced by a dipolar coupling due to the anisotropic roughness topology of the CoO layer. This anisotropic roughness was induced by the deposition geometry and evidenced by atomic force microscopy. The strength of the dipolar interfacial coupling was calculated thanks to Schlömann's model. Multilayer stacks were fabricated and the magnetic properties observed for the trilayers could be maintained.

Adjustable ferromagnetic resonance frequency in CoO/CoFeB system

International Nuclear Information System (INIS)

Bonneau-Brault, A.; Dubourg, S.; Thiaville, A.; Rioual, S.; Valente, D.

2015-01-01

Static and dynamic properties of (CoO/CoFeB) n multilayers have been investigated. An anisotropy field enhancement was evidenced when the CoO layer was deposited under the CoFeB layer. Tuning the relative CoFeB and CoO layers thicknesses, high ferromagnetic resonance frequencies up to 4 GHz were achieved. The coupling effect between the CoO and CoFeB layers was induced by a dipolar coupling due to the anisotropic roughness topology of the CoO layer. This anisotropic roughness was induced by the deposition geometry and evidenced by atomic force microscopy. The strength of the dipolar interfacial coupling was calculated thanks to Schlömann's model. Multilayer stacks were fabricated and the magnetic properties observed for the trilayers could be maintained

Enhanced interfacial properties of carbon fiber composites via aryl diazonium reaction “on water”

Science.gov (United States)

Wang, Yuwei; Meng, Linghui; Fan, Liquan; Ma, Lichun; Qi, Meiwei; Yu, Jiali; Huang, Yudong

2014-10-01

Polyacrylonitrile-based carbon fibers were functionalized with phenyl amine group via aryl diazonium reaction "on water" to improve their interfacial bonding with resin matrix. Raman spectroscopy, Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy and scanning electron microscopy were employed to characterize ordered degree, functional groups, chemical states and morphology of carbon fiber surface, respectively. The results showed that phenyl amine groups were grafted on the fiber surface successfully. Mechanical property test results indicated that the aryl diazonium reaction in this paper could improve the interfacial shear strength by 73%, while the tensile strength was down very slightly. Hence aryl diazonium reaction "on water" could be a facile green platform to functionalize carbon fibers for many interesting applications.

Structural and physical properties of the NaxCoO2·yH2O superconducting system

International Nuclear Information System (INIS)

Shi, Y G; Li, J Q; Yu, H C; Zhou, Y Q; Zhang, H R; Dong, C

2004-01-01

The structural features and physical properties of Na x CoO 2 and Na x CoO 2 ·yH 2 O materials have been investigated. The Na x CoO 2 -yH 2 O samples, in general, undergo superconducting transitions at around 3.5 K. Energy dispersive x-ray analyses suggest that our samples have average compositions of Na 0.65 CoO 2 for the parent compounds and Na 0.26 CoO 2 ·yH 2 O for the superconducting oxyhydrates. Transmission electron microscopy observations reveal a new superstructure with wave vector q = in the parent material. This superstructure becomes very weak in the superconducting samples. Electron energy loss spectra analyses show that the Co ions have valence states of around +3.3 in Na 0.65 CoO 2 and around +3.7 in Na 0.26 CoO 2 -yH 2 O

Modelling CO2-Brine Interfacial Tension using Density Gradient Theory

KAUST Repository

Ruslan, Mohd Fuad Anwari Che

2018-01-01

In this study, a new modelling strategy to compute CO2-brine IFT based on DGT was proposed. In the proposed model, ion distribution across interface was accounted for by separating the interface to two sections

Co-firing behavior of ZnTiO3-TiO2 dielectrics/hexagonal ferrite composites for multi-layer LC filters

International Nuclear Information System (INIS)

Wang Mao; Zhou Ji; Yue Zhenxing; Li Longtu; Gui Zhilun

2003-01-01

The low-temperature co-firing compatibility between ferrite and dielectric materials is the key issue in the production process of multi-layer chip LC filters. This paper presents the co-firing behavior and interfacial diffusion of ZnTiO 3 -TiO 2 dielectric/Co 2 Z hexagonal ferrite multi-layer composites. It has been testified that proper constitutional modification is feasible to diminish co-firing mismatch and enhance co-firing compatibility. Interfacial reactions occur at the interface, which can strengthen combinations between ferrite layers and dielectric layers. Titanium and barium tend to concentrate at the interface; iron and zinc have a wide diffusion range

Elucidation of structural, vibrational and dielectric properties of transition metal (Co2+) doped spinel Mg-Zn chromites

Science.gov (United States)

Choudhary, Pankaj; Varshney, Dinesh

2018-05-01

Co2+ doped Mg-Zn spinel chromite compositions Mg0.5Zn0.5-xCoxCr2O4 (0.0 ≤ x ≤ 0.5) have been synthesized by the high-temperature solid state method. Synchrotron and X-ray diffraction (XRD) studies show single-phase crystalline nature. The structural analysis is validated by Rietveld refinement confirms the cubic structure with space group Fd3m. Crystallite size is estimated from Synchrotron XRD which was found to be 30-34 nm. Energy dispersive analysis confirms stoichiometric Mg0.5Zn0.5-xCoxCr2O4 composition. Average crystallite size distribution is estimated from imaging software (Image - J) of SEM is in the range of 100-250 nm. Raman spectroscopy reveals four active phonon modes, and a pronounced red shift is due to enhanced Co2+ concentration. Increased Co2+ concentration in Mg-Zn chromites shows a prominent narrowing of band gap from 3.46 to 2.97 eV. The dielectric response is attributed to the interfacial polarization, and the electrical modulus study supports non-Debye type of dielectric relaxation. Ohmic junctions (minimum potential drop) at electrode interface are active at lower levels of doping (x transformer applications at high frequencies.

Roles of acidic functional groups of carbon fiber surfaces in enhancing interfacial adhesion behavior

International Nuclear Information System (INIS)

Park, Soo-Jin; Kim, Byung-Joo

2005-01-01

The gas phase ozone treatment was used as a method to bind acidic oxygen functional groups on carbon fiber surfaces. The ozone treatment on carbon fibers was varied with the ozone concentration and treatment time. Surface analyses of the carbon fibers before and after treatments were performed by FT-IR, X-ray photoelectron spectrometer (XPS), and dynamic contact angle measurements. Mechanical interfacial properties of the fibers/polymer composites were investigated by using critical stress intensity factor (K IC ) and critical energy release rate (G IC ) measurements. From the results of FT-IR and XPS, it was observed that the oxygen functional groups, such as -OH, O-C=O, C=O, and C-O, were attached on the carbon fiber surfaces after the ozone treatment. The mechanical interfacial properties of the composites also showed higher values than those of untreated composites. Ozone treatment is attributed to the increase of both the acidic functional groups and the degree of adhesion at interfaces between the fibers and polymeric resin in composites

Magnetism by interfacial hybridization and p-type doping of MoS2 in Fe4N/MoS2 superlattices: A first-principles study

KAUST Repository

Feng, Nan

2014-03-26

Magnetic and electronic properties of Fe4N(111)/MoS 2(√3 × √3) superlattices are investigated by first-principles calculations, considering two models: (I) FeIFe II-S and (II) N-S interfaces, each with six stacking configurations. In model I, strong interfacial hybridization between FeI/Fe II and S results in magnetism of monolayer MoS2, with a magnetic moment of 0.33 μB for Mo located on top of Fe I. For model II, no magnetism is induced due to weak N-S interfacial bonding, and the semiconducting nature of monolayer MoS2 is preserved. Charge transfer between MoS2 and N results in p-type MoS2 with Schottky barrier heights of 0.5-0.6 eV. Our results demonstrate that the interfacial geometry and hybridization can be used to tune the magnetism and doping in Fe4N(111)/MoS2(√3 × √3) superlattices. © 2014 American Chemical Society.

Magnetism by interfacial hybridization and p-type doping of MoS2 in Fe4N/MoS2 superlattices: A first-principles study

KAUST Repository

Feng, Nan; Mi, Wenbo; Cheng, Yingchun; Guo, Zaibing; Schwingenschlö gl, Udo; Bai, Haili

2014-01-01

Magnetic and electronic properties of Fe4N(111)/MoS 2(√3 × √3) superlattices are investigated by first-principles calculations, considering two models: (I) FeIFe II-S and (II) N-S interfaces, each with six stacking configurations. In model I, strong interfacial hybridization between FeI/Fe II and S results in magnetism of monolayer MoS2, with a magnetic moment of 0.33 μB for Mo located on top of Fe I. For model II, no magnetism is induced due to weak N-S interfacial bonding, and the semiconducting nature of monolayer MoS2 is preserved. Charge transfer between MoS2 and N results in p-type MoS2 with Schottky barrier heights of 0.5-0.6 eV. Our results demonstrate that the interfacial geometry and hybridization can be used to tune the magnetism and doping in Fe4N(111)/MoS2(√3 × √3) superlattices. © 2014 American Chemical Society.

Influence of O{sub 2} on the dielectric properties of CO{sub 2} at the elevated temperatures

Energy Technology Data Exchange (ETDEWEB)

Rong, Mingzhe; Sun, Hao; Yang, Fei, E-mail: yfei2007@mail.xjtu.edu.cn; Wu, Yi, E-mail: wuyic51@mail.xjtu.edu.cn; Chen, Zhexin; Wang, Xiaohua; Wu, Mingliang [State Key Laboratory of Electrical Insulation and Power Equipment, Xi' an Jiaotong University, Xi' an Shaanxi 710049 (China)

2014-11-15

SF{sub 6} gas is widely used in the high voltage circuit breakers but considering its high global warming potential other substitutes are being sought. Among them CO{sub 2} was investigated and even has been used in some practical products. However, at room temperature, the dielectric properties of CO{sub 2} are relatively lower than SF{sub 6} and air. The goal of this work is to investigate a CO{sub 2}-based gas to improve the performance of the pure CO{sub 2}. In this paper, the dielectric properties of hot CO{sub 2}/O{sub 2} mixtures related to the dielectric recovery phase of the circuit breaker were investigated in the temperature range from 300 K to 4000 K and in the pressure range from 0.01 MPa to 1.0 MPa. The species compositions of hot CO{sub 2}/O{sub 2} were obtained based on Gibbs free energy minimization under the assumptions of local thermodynamic equilibrium and local chemical equilibrium. The reduced critical electric field strength of CO{sub 2}/O{sub 2} was determined by balancing electron generation and loss. These were calculated using the electron energy distribution function by solving the Boltzmann transport equation. The validity of the calculation method and the cross sections data was confirmed by comparing the measurements and calculations of the electron swarm data in previous work. The results indicate that in pure CO{sub 2} the critical electric field strength is higher only in higher temperature range. By adding the O{sub 2} into the CO{sub 2}, the critical electric field strength at lower temperature is effectively enhanced. CO{sub 2}/O{sub 2} mixtures have a much better dielectric strength than both the pure CO{sub 2} and air and thus have the potential to improve the CO{sub 2}-based gas circuit breakers. Similar conclusions can also be found in others’ work, which further confirm the validity of these results.

Enhanced interfacial properties of carbon fiber composites via aryl diazonium reaction “on water”

International Nuclear Information System (INIS)

Wang, Yuwei; Meng, Linghui; Fan, Liquan; Ma, Lichun; Qi, Meiwei; Yu, Jiali; Huang, Yudong

2014-01-01

Highlights: • Carbon fibers are grafted with phenyl amine group via aryl diazonium reaction. • Interfacial shear strength of the carbon fibers increases by 73%. • Tensile strength of the carbon fibers does not decrease distinctly. • Using water as the reaction medium can avoid pollution from organic solvents. • Grafting via aryl diazonium reaction in one step can improve modification efficiency. - Abstract: Polyacrylonitrile-based carbon fibers were functionalized with phenyl amine group via aryl diazonium reaction “on water” to improve their interfacial bonding with resin matrix. Raman spectroscopy, Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy and scanning electron microscopy were employed to characterize ordered degree, functional groups, chemical states and morphology of carbon fiber surface, respectively. The results showed that phenyl amine groups were grafted on the fiber surface successfully. Mechanical property test results indicated that the aryl diazonium reaction in this paper could improve the interfacial shear strength by 73%, while the tensile strength was down very slightly. Hence aryl diazonium reaction “on water” could be a facile green platform to functionalize carbon fibers for many interesting applications

Enhanced interfacial properties of carbon fiber composites via aryl diazonium reaction “on water”

Energy Technology Data Exchange (ETDEWEB)

Wang, Yuwei [School of Chemical Engineering and Technology, Harbin Institute of Technology, Harbin 150001 (China); College of Materials Science and Engineering, Qiqihar University, Qiqihar 161006 (China); Meng, Linghui [School of Chemical Engineering and Technology, Harbin Institute of Technology, Harbin 150001 (China); Fan, Liquan [School of Chemical Engineering and Technology, Harbin Institute of Technology, Harbin 150001 (China); College of Materials Science and Engineering, Qiqihar University, Qiqihar 161006 (China); Ma, Lichun; Qi, Meiwei; Yu, Jiali [School of Chemical Engineering and Technology, Harbin Institute of Technology, Harbin 150001 (China); Huang, Yudong, E-mail: ydhuang.hit1@yahoo.com.cn [School of Chemical Engineering and Technology, Harbin Institute of Technology, Harbin 150001 (China)

2014-10-15

Highlights: • Carbon fibers are grafted with phenyl amine group via aryl diazonium reaction. • Interfacial shear strength of the carbon fibers increases by 73%. • Tensile strength of the carbon fibers does not decrease distinctly. • Using water as the reaction medium can avoid pollution from organic solvents. • Grafting via aryl diazonium reaction in one step can improve modification efficiency. - Abstract: Polyacrylonitrile-based carbon fibers were functionalized with phenyl amine group via aryl diazonium reaction “on water” to improve their interfacial bonding with resin matrix. Raman spectroscopy, Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy and scanning electron microscopy were employed to characterize ordered degree, functional groups, chemical states and morphology of carbon fiber surface, respectively. The results showed that phenyl amine groups were grafted on the fiber surface successfully. Mechanical property test results indicated that the aryl diazonium reaction in this paper could improve the interfacial shear strength by 73%, while the tensile strength was down very slightly. Hence aryl diazonium reaction “on water” could be a facile green platform to functionalize carbon fibers for many interesting applications.

Effect of Electron Beam Irradiation of the Characteristics of Jute Fibers and the Interfacial Properties of Jute/PLA Green Composites

Energy Technology Data Exchange (ETDEWEB)

Ji, Sang Gyu; Cho, Dong Hwan [Kumoh National Institute of Technology, Gumi (Korea, Republic of); Lee, Byung Cheol [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

2010-07-01

Cellulose-based natural fibers such as jute, knife and hemp have promising potential as a replacement for glass fibers in a polymer composite system because of their many advantages like natural abundance, low cost, light weight, biodegradability, carbon dioxide reduction in nature and acceptable mechanical properties. However, natural fibers need an appropriate surface treatment modifying their surface characteristics in order to effectively improve the interfacial properties as well as the mechanical and thermal properties. Electron beam irradiation technique is particularly interesting as it may offer the possibility to modify the surfaces and to enhance the properties of polymer materials such as fibers, films and composites. In addition, electron beam processing has a merit because it is a dry, solvent free and eco-friendly method with a fast throughput rate. In the present study, Jute fibers were irradiated at different dosages of electron beam from 10 to 100 kGy. The result was compared with raw jute fibers un-irradiated, showing the effect on the interfacial shear strength between jute fibers and PLA in terms of single fiber tensile property, fiber surface topology, and chemical composition occurring in jute fibers upon irradiation. It has been found that the surface topology and chemical characteristics of jute fibers significantly depended on the electron beam dosage irradiated, directly influencing the interfacial shear strength and interlaminar shear strength of jute-PLA green composites. It was concluded that electron beam irradiation played a contributing role not only in physically modifying the jute fiber surfaces but also in improving the interfacial properties between jute fibers and poly in the green composite, exhibiting the most effectiveness at a low electron beam energy of 10 kGy.

Pulse propagation properties in high-power CO2 laser system for laser fusion

International Nuclear Information System (INIS)

Daido, H.; Inoue, M.; Fujita, H.; Matoba, M.; Nakai, S.

1981-01-01

The simulation results of nonlinear propagation properties in the CO 2 laser system using a simulation model of the SF 6 saturable absorbers and the CO 2 laser amplifiers agree well with the experimental results. The technical problems of the simultaneous irradiation of the multi-beams to a target are also discussed. (author)

Scintillation properties of Zr co-doped Ce:(Gd, La)_2Si_2O_7 grown by the Czochralski process

International Nuclear Information System (INIS)

Murakami, Rikito; Kurosawa, Shunsuke; Shoji, Yasuhiro; Jary, Vitezslav; Ohashi, Yuji; Pejchal, Jan; Yokota, Yuui; Kamada, Kei; Nikl, Martin; Yoshikawa, Akira

2016-01-01

(Gd_0_._7_5,Ce_0_._0_1_5,La_0_._2_3_5)_2Si_2O_7 (Ce:La-GPS) single crystals co-doped with 0, 100, 200, 500 and 1000 ppm Zr were grown by the Czochralski process, and their scintillation properties were investigated. We investigated the co-doping effect of a stable tetravalent ion in Ce:La-GPS for the first time. The scintillation decay times in the faster component were shortened with increasing the Zr concentration. While the non-co-doped sample showed ∼63 ns day time, the Zr 100, 200, 500 and 1000 ppm co-doped samples showed ∼61, ∼59, ∼57, ∼54 ns, respectively. Additionally, light output, photon nonproportional response (PNR) and other optical properties were investigated. - Highlights: • Czochralski growth of Ce:(Gd,La)_2Si_2O_7 single crystals. • Co-doping effect of a stable tetravalent ion in Ce:(Gd,La)_2Si_2O_7 system. • Photon nonproportional response of Zr co-doped Ce:(Gd,La)_2Si_2O_7.

Nb and Ta layer doping effects on the interfacial energetics and electronic properties of LaAlO3/SrTiO3 heterostructure: first-principles analysis.

Science.gov (United States)

Nazir, Safdar; Behtash, Maziar; Cheng, Jianli; Luo, Jian; Yang, Kesong

2016-01-28

The two-dimensional electron gas (2DEG) formed at the n-type (LaO)(+1)/(TiO2)(0) interface in the polar/nonpolar LaAlO3/SrTiO3 (LAO/STO) heterostructure (HS) has emerged as a prominent research area because of its great potential for nanoelectronic applications. Due to its practical implementation in devices, desired physical properties such as high charge carrier density and mobility are vital. In this respect, 4d and 5d transition metal doping near the interfacial region is expected to tailor electronic properties of the LAO/STO HS system effectively. Herein, we studied Nb and Ta-doping effects on the energetics, electronic structure, interfacial charge carrier density, magnetic moment, and the charge confinements of the 2DEG at the n-type (LaO)(+1)/(TiO2)(0) interface of LAO/STO HS using first-principles density functional theory calculations. We found that the substitutional doping of Nb(Ta) at Ti [Nb(Ta)@Ti] and Al [Nb(Ta)@Al] sites is energetically more favorable than that at La [Nb(Ta)@La] and Sr [Nb(Ta)@Sr] sites, and under appropriate thermodynamic conditions, the changes in the interfacial energy of HS systems upon Nb(Ta)@Ti and Nb(Ta)@Al doping are negative, implying that the formation of these structures is energetically favored. Our calculations also showed that Nb(Ta)@Ti and Nb(Ta)@Al doping significantly improve the interfacial charge carrier density with respect to that of the undoped system, which is because the Nb(Ta) dopant introduces excess free electrons into the system, and these free electrons reside mainly on the Nb(Ta) ions and interfacial Ti ions. Hence, along with the Ti 3d orbitals, the Nb 4d and Ta 5d orbitals also contribute to the interfacial metallic states; accordingly, the magnetic moments on the interfacial Ti ions increase significantly. As expected, the Nb@Al and Ta@Al doped LAO/STO HS systems show higher interfacial charge carrier density than the undoped and other doped systems. In contrast, Nb@Ti and Ta@Ti doped systems may

Interfacial thermal conductance in multilayer graphene/phosphorene heterostructure

International Nuclear Information System (INIS)

Zhang, Ying-Yan; Pei, Qing-Xiang; Mai, Yiu-Wing; Lai, Siu-Kai

2016-01-01

Vertical integration of 2D materials has recently appeared as an effective method for the design of novel nano-scale devices. Using non-equilibrium molecular dynamics simulations, we study the interfacial thermal transport property of graphene/phosphorene heterostructures where phosphorene is sandwiched in between graphene. Various modulation techniques are thoroughly explored. We found that the interfacial thermal conductance at the interface of graphene and phosphorene can be enhanced significantly by using vacancy defects, hydrogenation and cross-plane compressive strain. By contrast, the reduction in the interfacial thermal conductance can be achieved by using cross-plane tensile strain. Our results provide important guidelines for manipulating the thermal transport in graphene/phosphorene based-nano-devices. (paper)

Experimental Investigation of Mechanical Properties of Black Shales after CO2-Water-Rock Interaction

OpenAIRE

Lyu, Qiao; Ranjith, Pathegama Gamage; Long, Xinping; Ji, Bin

2016-01-01

The effects of CO2-water-rock interactions on the mechanical properties of shale are essential for estimating the possibility of sequestrating CO2 in shale reservoirs. In this study, uniaxial compressive strength (UCS) tests together with an acoustic emission (AE) system and SEM and EDS analysis were performed to investigate the mechanical properties and microstructural changes of black shales with different saturation times (10 days, 20 days and 30 days) in water dissoluted with gaseous/supe...

Ni substitution effect on magnetic and transport properties in metallic ferromagnet Co3Sn2S2

Science.gov (United States)

Kubodera, Takashi; Okabe, Hirotaka; Kamihara, Yoichi; Matoba, Masanori

2006-05-01

We investigated the magnetic and transport properties of polycrystalline (Co1-xNix)3Sn2S2(0⩽x⩽1) to ascertain the magnetism of the new metallic ferromagnet Co3Sn2S2. In Co3Sn2S2 magnetization does not saturate up to 5.5 T at 10 K, and the estimated saturation moment ( ps) is small ( ≅0.2μB per Co atom). In ( Co1-xNix)3Sn2S2, the electrical resistivity shows metallic behavior without a hump but has a kink at TC. The TC and magnetic susceptibility gradually decrease with increasing x, and there is no antiferromagnetic phase throughout the full range of composition. These results indicate that Co3Sn2S2 is a weak itinerant ferromagnet; while, the same order of the Rhodes-Wohlfarth pc/ps value as CoS2 suggests the existence of a localized moment.

Aerosol Particle Interfacial Thermodynamics and Phase Partitioning Measurements Using Biphasic Microfluidics

Science.gov (United States)

Dutcher, Cari; Metcalf, Andrew

2015-03-01

Secondary organic aerosol particles are nearly ubiquitous in the atmosphere and yet there remain large uncertainties in their formation processes and ambient properties. These particles are complex microenvironments, which can contain multiple interfaces due to internal aqueous-organic phase partitioning and to the external liquid-vapor surface. Interfacial properties affect the ambient aerosol morphology, or internal structure of the particle, which in turn can affect the way a particle interacts with an environment of condensable clusters and organic vapors. To improve our ability to accurately predict ambient aerosol morphology, we must improve our knowledge of aerosol interfaces and their interactions with the ambient environment. Unfortunately, many techniques employed to measure interfacial properties do so in bulk solutions or in the presence of a ternary (e.g. solid) phase. In this talk, a novel method using biphasic microscale flows will be introduced for generating, trapping, and perturbing complex interfaces at atmospherically relevant conditions. These microfluidic experiments utilize high-speed imaging to monitor interfacial phenomena at the microscale and are performed with phase contrast and fluorescence microscopy on a temperature-controlled inverted microscope stage. From these experiments, interfacial thermodynamic properties such as surface or interfacial tension, rheological properties such as interfacial moduli, and kinetic properties such as mass transfer coefficients can be measured or inferred.

Thermoelectric properties of TbFe{sub 2} and TbCo{sub 2} in C15- laves phase: Spin-polarized DFT+U approach

Energy Technology Data Exchange (ETDEWEB)

Reshak, A.H., E-mail: maalidph@yahoo.co.uk [New Technologies - Research Centre, University of West Bohemia, Univerzitni 8, Pilsen 306 14 (Czech Republic); School of Material Engineering, University Malaysia Perlis, Kangar, Perlis 01007 (Malaysia)

2017-01-15

Thermoelectric properties of materials are intimately related to their electronic band structure. Combining first- and second-principles calculations, we have obtained the transport properties for the spin-up and spin-down electrons of the laves phase TbFe{sub 2} and TbCo{sub 2} compounds. The unique band structure feature and the density of states at Fermi level (E{sub F}) promote the E{sub F} to a point where carriers are in energetic proximity to these features. The non-zero density of states at E{sub F} for the spin-up (↑) and spin-down (↓) electrons leads to unusual transport properties because both the (↑) and (↓) densities contributes to the states at E{sub F}. The parabolic bands in the vicinity of E{sub F} enhance the carriers mobility and hence the transport properties of TbFe{sub 2} and TbCo{sub 2}. Calculations show that the spin-up/down transport coefficients are temperature-dependent. It has been found that TbCo{sub 2} possess larger Seebeck coefficient than that of TbFe{sub 2} and hence the power factor. The calculated Seebeck coefficient of TbCo{sub 2} agree well with the available experimental data. - Highlights: • The transport properties of TbFe{sub 2} and TbCo{sub 2} are obtained. • The non-zero density of states at E{sub F} leads to unusual transport properties. • Spin-up/down transport coefficients are temperature-dependent. • The calculated Seebeck coefficient of TbCo{sub 2} agree with the experimental data. • TbCo{sub 2} possesses larger Seebeck coefficient than that of TbFe{sub 2}.

Interfacial chemical and electronic structure of cobalt deposition on 2,7-dioctyl[1]benzothieno[3,2-b]benzothiophene (C8-BTBT)

Science.gov (United States)

Zhu, Menglong; Lyu, Lu; Niu, Dongmei; Zhang, Hong; Zhang, Yuhe; Liu, Peng; Gao, Yongli

2017-04-01

Interfacial chemical and electronic structure of Co deposition on 2,7-dioctyl[1]benzothieno[3,2-b]benzothiophene(C8-BTBT) was investigated by ultraviolet photoemission spectroscopy (UPS) and X-ray photoemission spectroscopy (XPS). Chemical reaction of cobalt with C8-BTBT at the interface is confirmed by a new component of S 2s peak which is electron-rich compared to the original one of C8-BTBT molecules. Intensity evolution of the core level in XPS indicates that the adsorption of Co atoms is mainly at the surface without deeper diffusion into C8-BTBT layer. Initial deposition of Co atoms downward shifts the core levels of C8-BTBT by electron transfer from isolated Co atoms or clusters to the C8-BTBT. Further deposition of Co upward shifts the core levels of C8-BTBT because of the neutralization of the thicker metal Co film. Our investigation suggests an inert buffer layer inserted to protect organic layer from reaction or decomposition and to lower the carrier barriers for both the electron and hole to improve the performance of Co/C8-BTBT-based OFETs.

Direct observation of interfacial Au atoms on TiO₂ in three dimensions.

Science.gov (United States)

Gao, Wenpei; Sivaramakrishnan, Shankar; Wen, Jianguo; Zuo, Jian-Min

2015-04-08

Interfacial atoms, which result from interactions between the metal nanoparticles and support, have a large impact on the physical and chemical properties of nanoparticles. However, they are difficult to observe; the lack of knowledge has been a major obstacle toward unraveling their role in chemical transformations. Here we report conclusive evidence of interfacial Au atoms formed on the rutile (TiO2) (110) surfaces by activation using high-temperature (∼500 °C) annealing in air. Three-dimensional imaging was performed using depth-sectioning enabled by aberration-corrected scanning transmission electron microscopy. Results show that the interface between Au nanocrystals and TiO2 (110) surfaces consists of a single atomic layer with Au atoms embedded inside Ti-O. The number of interfacial Au atoms is estimated from ∼1-8 in an interfacial atomic column. Direct impact of interfacial Au atoms is observed on an enhanced Au-TiO2 interaction and the reduction of surface TiO2; both are critical to Au catalysis.

Interfacial structures and area transport in upward and downward two-phase flow

International Nuclear Information System (INIS)

Paranjape, S. S.; Kim, S.; Ishii, M.; Kelly, J.

2003-01-01

An experimental study has been carried out for upward and downward two-phase flow to study local interfacial structures and interfacial area transport. The flow studied, is an adiabatic, air-water, co-current, two-phase flow, in 25.4 mm and 50.8 mm ID test sections. Flow regime map is obtained using the characteristic signals obtained from an impedance void meter, employing neural network based identification methodology. A four sensor conductivity probe is used to measure the local two phase flow parameters, in bubbly flow regime. The local profiles of these parameters as well as their axial development reveal the nature of the interfacial structures and the bubble interaction mechanisms occurring in the flow. Furthermore, this study provides a good database for the development of the interfacial area transport equation, which dynamically models the changes in the interfacial area along a flow field. An interfacial area transport equation is used for downward flow based on that developed for the upward flow, with certain modifications in the bubble interaction terms. The area averaged values of the interfacial area concentration are compared with those predicted by the interfacial area transport model. The differences in the interfacial structures and interfacial area transport in co-current downward and upward two-phase flows are studied

Effect of interface intermixing on giant magnetoresistance in NiFe/Cu and Co/NiFe/Co/Cu multilayers

International Nuclear Information System (INIS)

Nagamine, L.C.C.M.; Biondo, A.; Pereira, L.G.; Mello, A.; Schmidt, J.E.; Chimendes, T.W.; Cunha, J.B.M.; Saitovitch, E.B.

2003-01-01

This article reports on the important influence of the spontaneously built-in paramagnetic interfacial layers on the magnetic and magnetoresistive properties of NiFe/Cu and Co/NiFe/Co/Cu multilayers grown by magnetron sputtering. A computational simulation, based on a semiclassical model, has been used to reproduce the variations of the resistivity and of the magnetoresistance (MR) amplitude with the thickness of the NiFe, Cu, and Co layers. We showed that the compositionally intermixed layers at NiFe/Cu interfaces, which are paramagnetic, reduce the flow of polarized electrons and produce a masking on the estimated mean-free path of both types of electrons due to the reduction of their effective values, mainly for small NiFe thickness. Moreover, the transmission coefficients for the electrons decrease when Fe buffer layers are replaced by NiFe ones. This result is interpreted in terms of the variations of the interfacial intermixing and roughness at the interfaces, leading to an increase of the paramagnetic interfacial layer thickness. The effect provoked by Co deposition at the NiFe 16 A/Cu interfaces has also been investigated. The maximum of the MR amplitudes was found at 5 A of Co, resulting in the quadruplication of the MR amplitude. This result is partially attributed to the interfacial spin-dependent scattering due to the increase of the magnetic order at interfaces. Another effect observed here was the increase of the spin-dependent scattering events in the bulk NiFe due to a larger effective NiFe thickness, since the paramagnetic interfacial layer thickness is decreased

Frequency and voltage dependent profile of dielectric properties, electric modulus and ac electrical conductivity in the PrBaCoO nanofiber capacitors

Directory of Open Access Journals (Sweden)

S. Demirezen

Full Text Available In this study, praseodymium barium cobalt oxide nanofiber interfacial layer was sandwiched between Au and n-Si. Frequency and voltage dependence of ε′, ε′, tanδ, electric modulus (M′ and M″ and σac of PrBaCoO nanofiber capacitor have been investigated by using impedance spectroscopy method. The obtained experimental results show that the values of ε′, ε′, tanδ, M′, M″ and σac of the PrBaCoO nanofiber capacitor are strongly dependent on frequency of applied bias voltage. The values of ε′, ε″ and tanδ show a steep decrease with increasing frequency for each forward bias voltage, whereas the values of σac and the electric modulus increase with increasing frequency. The high dispersion in ε′ and ε″ values at low frequencies may be attributed to the Maxwell–Wagner and space charge polarization. The high values of ε′ may be due to the interfacial effects within the material, PrBaCoO nanofibers interfacial layer and electron effect. The values of M′ and M″ reach a maximum constant value corresponding to M∞ ≈ 1/ε∞ due to the relaxation process at high frequencies, but both the values of M′ and M″ approach almost to zero at low frequencies. The changes in the dielectric and electrical properties with frequency can be also attributed to the existence of Nss and Rs of the capacitors. As a result, the change in the ε′, ε″, tanδ, M′, M″ and ac electric conductivity (σac is a result of restructuring and reordering of charges at the PrBaCoO/n-Si interface under an external electric field or voltage and interface polarization. Keywords: Thin films, Electrical properties, Interface/interphase

Interfacial rheological properties and conformational aspects of soy glycinin at the air/water interface

NARCIS (Netherlands)

Martin, A.H.; Bos, M.A.; Vliet, van T.

2002-01-01

Interfacial (rheological) properties of soy glycinin were studied at different pH. At acidic and high alkaline pH glycinin (11S form, Mw~350 kDa) dissociates into smaller subunits, the so called 3S form (Mw~44 kDa) and 7S form (Mw~175 kDa). This dissociation behaviour is expected to affect the

Comparison of crude oil interfacial behavior

Energy Technology Data Exchange (ETDEWEB)

Beetge, J.H.; Panchev, N. [Champion Technologies Inc., Fresno, TX (United States)

2008-07-01

The bulk properties of crude oil are used to predict its behaviour with regards to treatment, transport and processing. Surface active components, such as asphaltenes, are often used to study or explain critical interfacial behaviour of crude oil. This study investigated the differences and similarities in the interfacial behaviour of the collective surface active component in various crude oils from different sources. The properties of interfaces between crude oil and water were compared using a Teclis drop shape tensiometer. A portion of a crude oil sample was diluted in toluene and contacted with water in a rising drop configuration. Dynamic surface tension and interfacial rheology was examined as a function of time from the early stages of interface formation. Sinusoidal oscillation of the drop volume allowed for the evaluation of visco-elastic behaviour of the crude oil/water interface as it developed with time. The Gibbs elastic modulus, as well as its elastic and viscose components were calculated from the drop shape. The interfacial behaviour was expressed in terms of concentration, oscillation frequency and interface age. It was concluded that knowledge of crude oil interfacial character could be of value in the treatment, transport and processing of crude oils because the its behaviour may play a significant role in crude oil production and processing.

Activating "Invisible" Glue: Using Electron Beam for Enhancement of Interfacial Properties of Graphene-Metal Contact.

Science.gov (United States)

Kim, Songkil; Russell, Michael; Kulkarni, Dhaval D; Henry, Mathias; Kim, Steve; Naik, Rajesh R; Voevodin, Andrey A; Jang, Seung Soon; Tsukruk, Vladimir V; Fedorov, Andrei G

2016-01-26

Interfacial contact of two-dimensional graphene with three-dimensional metal electrodes is crucial to engineering high-performance graphene-based nanodevices with superior performance. Here, we report on the development of a rapid "nanowelding" method for enhancing properties of interface to graphene buried under metal electrodes using a focused electron beam induced deposition (FEBID). High energy electron irradiation activates two-dimensional graphene structure by generation of structural defects at the interface to metal contacts with subsequent strong bonding via FEBID of an atomically thin graphitic interlayer formed by low energy secondary electron-assisted dissociation of entrapped hydrocarbon contaminants. Comprehensive investigation is conducted to demonstrate formation of the FEBID graphitic interlayer and its impact on contact properties of graphene devices achieved via strong electromechanical coupling at graphene-metal interfaces. Reduction of the device electrical resistance by ∼50% at a Dirac point and by ∼30% at the gate voltage far from the Dirac point is obtained with concurrent improvement in thermomechanical reliability of the contact interface. Importantly, the process is rapid and has an excellent insertion potential into a conventional fabrication workflow of graphene-based nanodevices through single-step postprocessing modification of interfacial properties at the buried heterogeneous contact.

Enhanced thermoelectric properties of nano SiC dispersed Bi2Sr2Co2Oy Ceramics

Science.gov (United States)

Hu, Qiujun; Wang, Kunlun; Zhang, Yingjiu; Li, Xinjian; Song, Hongzhang

2018-04-01

The thermoelectric properties of Bi2Sr2Co2Oy + x wt% nano SiC (x = 0.00, 0.025, 0.05, 0.1, 0.2, and 0.3) prepared by the solid-state reaction method were investigated from 300 K to 923 K. The resistivity can be reduced effectively by adding a small amount of SiC nano particles, which is attributed to the increase of the carrier concentration. At the same time, the Seebeck coefficients can be improved effectively due to the energy filtering effect that low energy carriers are strongly dispersed at the interface between the SiC nano particles and the matrix. The decrease of thermal conductivity is due to the increase of the scattering ability of the phonons by the SiC nanoparticles distributed at the boundary of the matrix. As a result, the Bi2Sr2Co2Oy + x wt% SiC composites exhibit better thermoelectric properties. The maximum ZT value 0.24 is obtained when x = 0.05 at 923 K. Compared with the sample without SiC nano particles, the ZT value is increased by about 59.7%.

High efficiency of the spin-orbit torques induced domain wall motion in asymmetric interfacial multilayered Tb/Co wires

International Nuclear Information System (INIS)

Bang, Do; Awano, Hiroyuki

2015-01-01

We investigated current-induced DW motion in asymmetric interfacial multilayered Tb/Co wires for various thicknesses of magnetic and Pt-capping layers. It is found that the driving mechanism for the DW motion changes from interfacial to bulk effects at much thick magnetic layer (up to 19.8 nm). In thin wires, linearly depinning field dependence of critical current density and in-plane field dependence of DW velocity suggest that the extrinsic pinning governs field-induced DW motion and injecting current can be regarded as an effective field. It is expected that the high efficiency of spin-orbit torques in thick magnetic multilayers would have important implication for future spintronic devices based on in-plane current induced-DW motion or switching

High efficiency of the spin-orbit torques induced domain wall motion in asymmetric interfacial multilayered Tb/Co wires

Energy Technology Data Exchange (ETDEWEB)

Bang, Do, E-mail: bang@spin.mp.es.osaka-u.ac.jp [Toyota Technological Institute, Tempaku, Nagoya 468-8511 (Japan); Institute of Materials Science, VAST, 18 Hoang Quoc Viet, Hanoi (Viet Nam); Awano, Hiroyuki [Toyota Technological Institute, Tempaku, Nagoya 468-8511 (Japan)

2015-05-07

We investigated current-induced DW motion in asymmetric interfacial multilayered Tb/Co wires for various thicknesses of magnetic and Pt-capping layers. It is found that the driving mechanism for the DW motion changes from interfacial to bulk effects at much thick magnetic layer (up to 19.8 nm). In thin wires, linearly depinning field dependence of critical current density and in-plane field dependence of DW velocity suggest that the extrinsic pinning governs field-induced DW motion and injecting current can be regarded as an effective field. It is expected that the high efficiency of spin-orbit torques in thick magnetic multilayers would have important implication for future spintronic devices based on in-plane current induced-DW motion or switching.

Magnetic properties of a HoCo10Ti2 single crystal

International Nuclear Information System (INIS)

Janssen, Y.; Tegus, O.; Klaasse, J.C.P.; Brueck, E.; Buschow, K.H.J.; Boer, F.R. de

2001-01-01

The magnetic properties of single-crystalline easy-axis ThMn 12 -type ferrimagnetic HoCo 10 Ti 2 have been studied. At 4.2 K, the magnetization process with the field applied along the easy c-axis is completely different from that, with the field applied perpendicular to it. The bending process of the initially antiparallel Ho and Co magnetic moments, that is observed in the latter measurement, is briefly described in terms of mean-field theory. Furthermore, when the field is applied in the hard magnetization direction, the bending process has directly been observed by means of measurement of the transversal magnetization

Improvisation of mechanical and electrical properties of Cu by reinforcing MWCNT using modified electro-co-deposition process

Science.gov (United States)

Belgamwar, Sachin U.; Sharma, N. N.

2018-04-01

Multi-walled Carbon nanotubes–copper (MWCNT/Cu) composite powders with variable MWCNT content were synthesized by modified electro-co-deposition method. The electro-co-deposited MWCNT/Cu powders were consolidated by conventional compaction and sintering process. The consolidated products were then hot rolled and cold drawn to fine wires. The MWCNT/Cu composite wire samples were characterized for electrical and mechanical properties. We have been able to achieve an increase of around 8% in electrical conductivity of the form wires repeatedly. It has been observed that there was gradual improvement in the properties with reinforcement of MWCNT in the copper matrix. The betterment of electrical property has been achieved with simultaneous improvement in mechanical properties of the wire. The yield strength of MWCNT/Cu composite wire was found to be four times and the tensile strength two times greater than that of pure copper. The improved properties are attributed to the proper distribution of MWCNTs in the copper matrix and excellent interfacial bonding between MWCNT and composite copper fabricated by the modified method.

Interfacial Instabilities in Evaporating Drops

Science.gov (United States)

Moffat, Ross; Sefiane, Khellil; Matar, Omar

2007-11-01

We study the effect of substrate thermal properties on the evaporation of sessile drops of various liquids. An infra-red imaging technique was used to record the interfacial temperature. This technique illustrates the non-uniformity in interfacial temperature distribution that characterises the evaporation process. Our results also demonstrate that the evaporation of methanol droplets is accompanied by the formation of wave-trains in the interfacial temperature field; similar patterns, however, were not observed in the case of water droplets. More complex patterns are observed for FC-72 refrigerant drops. The effect of substrate thermal conductivity on the structure of the complex pattern formation is also elucidated.

Flow regime, void fraction and interfacial area transport and characteristics of co-current downward two-phase flow

Energy Technology Data Exchange (ETDEWEB)

Lokanathan, Manojkumar [School of Mechanical Engineering, Purdue University, 585 Purdue Mall, West Lafayette, IN 47907-2088 (United States); Hibiki, Takashi [School of Nuclear Engineering, Purdue University, 400 Central Drive, West Lafayette, IN 47907-2017 (United States)

2016-10-15

are studied. Moreover, the interfacial area concentration and the bubble coalescence and breakup mechanisms are shown to vary in the axial direction as well as with flow rate, flow area and pressure drop. The liquid velocity field, bubble shape and shear stress are studied for a stationary slug bubble with downward liquid flow. Furthermore, the relationship between the plug and foam flow shape profiles, relative velocity, void fraction and gas slug velocity at an elevated pressure of 0.2 MPa studied by Sekoguchi et al. (1996) are also analyzed, together with the five plug flow sub-regime groups located in the low slip and high slip velocity regions. For the annular flow, the relationship between liquid film thickness, entrainment mechanisms, film velocity and shear stress are studied as well. Alike to plug flow, five sub-regimes in the annular flow are also examined along with the bubble and droplet entrainment mechanisms. The paper also discusses the pressure drop for bubbly, slug, foam, falling film and annular flow regimes, with a particular focus on the most accurate interfacial friction factor correlation for annular flow and its applicability for a wide range of pipe diameters. The flow instability of a system such as static and dynamic instability in the presence of a downcomer, for both single and parallel heated channels are examined too. Finally, the most accurate and versatile drift-flux correlation applicable to all downward flow regimes is highlighted and compared to drift-flux type correlations as it will be a stepping stone to attain a more accurate co-current downward flow transition model. Further experimental effort is essential to achieve a strong foothold in the understanding of co-current downward two-phase flow, as it is vital for nuclear engineering applications.

Improvement of the interfacial Dzyaloshinskii-Moriya interaction by introducing a Ta buffer layer

NARCIS (Netherlands)

Kim, N.H.; Han, D.S.; Jung, J.; Cho, J.; Kim, J.S.; Swagten, H.J.M.; You, C.Y.

2015-01-01

We report systematic measurements of the interfacial Dzyaloshinskii-Moriya interaction (iDMI) by employing Brillouin light scattering in Pt/Co/AlOx and Ta/Pt/Co/AlOx structures. By introducing a tantalum buffer layer, the saturation magnetization and the interfacial perpendicular magnetic anisotropy

The structural, electronic and magnetic properties of CoS2 under pressure

Science.gov (United States)

Feng, Zhong-Ying; Yang, Yan; Zhang, Jian-Min

2018-05-01

The structural, electronic and magnetic properties of CoS2 under pressure have been investigated by the first-principles calculations. The lattice constant and volume decrease with increasing pressure. The CoS2 is stable and behaves a brittle characteristic under the pressures of 0-5 GPa. The CoS2 presents metallic characteristic under the pressures of 1-5 GPa although it is nearly half-metal (HM) under the pressure of 0 GPa. The lowest conduction bands for spin-up and spin-down channels shift towards higher and lower energy region, respectively, with the pressure increasing from 0 to 5 GPa. In spin-up channel the conduction band minimum (CBM) is mainly contributed by Co-3d(eg) orbitals at R point but the valence band maximum (VBM) is contributed by Co-3d(t2g) orbitals near M point. While in spin-down channel the CBM is contributed by S-3p orbitals at Γ point but the VBM is contributed by Co-3d(t2g) orbitals near X point. The CoS2 is still suitable to be used in the supercapacitor under the environmental pressures of 0-5 GPa due to the high conductivity.

Organic/inorganic electrochromic nanocomposites with various interfacial interactions: A review

Energy Technology Data Exchange (ETDEWEB)

Xiong, Shanxin, E-mail: xiongsx@xust.edu.cn; Yin, Siyuan; Wang, Yuyun; Kong, Zhenzhen; Lan, Jinpeng; Zhang, Runlan; Gong, Ming; Wu, Bohua; Chu, Jia; Wang, Xiaoqin

2017-07-15

Highlights: • We review the effects of interfacial interactions in electrochromic nanocomposites. • Interfacial interactions are useful for film fabrication and property-enhancement. • The strong interaction can enhance the electron conduction and structural strength. • The weak interactions exist widely between organic and inorganic phases. • Multiple weak interactions can provide various performance-adjusting approaches. - Abstract: Electrochromic properties of organic or inorganic materials can be improved through preparing organic/inorganic electrochromic nanocomposites. In electrochromic nanocomposites, the interfacial interactions between the organic and inorganic phases play three important roles in preparation and application of the nanocomposites. Firstly, the interfacial interactions result in stable molecular structures. Secondly, they also improve the electron conduction and ion transport process in the nanocomposites. Thirdly, they enhance the electrochemical and electrochromic properties of the nanocomposites. In this paper, we review the common interfacial interactions including covalent bond, coordination bond, electrostatic interaction, hydrogen bond and π-π stacking interaction between the organic and inorganic phases in the electrochromic nanocomposites. The preparation method, the relationship between the structure and properties, and the mechanism of modulation of electrochromic effect in the nanocomposites with various interfacial interactions are surveyed. The strong interfacial interaction, e.g., covalent bond, is helpful for obtaining electrochromic nanocomposites with high electron conduction and high structural strength. However it is very complicated to construct covalent bond between the organic and inorganic phases. Another strong interfacial interaction, the coordination bond is mainly confined to preparation of electrochromic complex of metal ion and pyridine derivative. While, the weak interfacial interactions, e

Organic/inorganic electrochromic nanocomposites with various interfacial interactions: A review

International Nuclear Information System (INIS)

Xiong, Shanxin; Yin, Siyuan; Wang, Yuyun; Kong, Zhenzhen; Lan, Jinpeng; Zhang, Runlan; Gong, Ming; Wu, Bohua; Chu, Jia; Wang, Xiaoqin

2017-01-01

Highlights: • We review the effects of interfacial interactions in electrochromic nanocomposites. • Interfacial interactions are useful for film fabrication and property-enhancement. • The strong interaction can enhance the electron conduction and structural strength. • The weak interactions exist widely between organic and inorganic phases. • Multiple weak interactions can provide various performance-adjusting approaches. - Abstract: Electrochromic properties of organic or inorganic materials can be improved through preparing organic/inorganic electrochromic nanocomposites. In electrochromic nanocomposites, the interfacial interactions between the organic and inorganic phases play three important roles in preparation and application of the nanocomposites. Firstly, the interfacial interactions result in stable molecular structures. Secondly, they also improve the electron conduction and ion transport process in the nanocomposites. Thirdly, they enhance the electrochemical and electrochromic properties of the nanocomposites. In this paper, we review the common interfacial interactions including covalent bond, coordination bond, electrostatic interaction, hydrogen bond and π-π stacking interaction between the organic and inorganic phases in the electrochromic nanocomposites. The preparation method, the relationship between the structure and properties, and the mechanism of modulation of electrochromic effect in the nanocomposites with various interfacial interactions are surveyed. The strong interfacial interaction, e.g., covalent bond, is helpful for obtaining electrochromic nanocomposites with high electron conduction and high structural strength. However it is very complicated to construct covalent bond between the organic and inorganic phases. Another strong interfacial interaction, the coordination bond is mainly confined to preparation of electrochromic complex of metal ion and pyridine derivative. While, the weak interfacial interactions, e

Interfacial properties at the organic-metal interface probed using quantum well states

Science.gov (United States)

Lin, Meng-Kai; Nakayama, Yasuo; Wang, Chin-Yung; Hsu, Jer-Chia; Pan, Chih-Hao; Machida, Shin-ichi; Pi, Tun-Wen; Ishii, Hisao; Tang, S.-J.

2012-10-01

Using angle-resolved photoemission spectroscopy, we investigated the interfacial properties between the long-chain normal-alkane molecule n-CH3(CH2)42CH3 [tetratetracontane (TTC)] and uniform Ag films using the Ag quantum well states. The entire quantum well state energy band dispersions were observed to shift toward the Fermi level with increasing adsorption coverage of TTC up to 1 monolayer (ML). However, the energy shifts upon deposition of 1 ML of TTC are approximately inversely dependent on the Ag film thickness, indicating a quantum-size effect. In the framework of the pushback and image-force models, we applied the Bohr-Sommerfeld quantization rule with the modified Coulomb image potential for the phase shift at the TTC/Ag interface to extract the dielectric constant for 1 ML of TTC.

Frictional behaviour and transport properties of simulated fault gouges derived from a natural CO2 reservoir

NARCIS (Netherlands)

Bakker, E.; Hangx, S.J.T.|info:eu-repo/dai/nl/30483579X; Niemeijer, A.R.|info:eu-repo/dai/nl/370832132; Spiers, C.J.|info:eu-repo/dai/nl/304829323

2016-01-01

We investigated the effects of long-term CO2-brine-rock interactions on the frictional and transport properties of reservoir-derived fault gouges, prepared from both unexposed and CO2-exposed sandstone, and from aragonite-cemented fault rock of an active CO2-leaking conduit, obtained from a natural

Light triggered interfacial damage self-healing of poly(p-phenylene benzobisoxazole) fiber composites

Science.gov (United States)

Hu, Zhen; Shao, Qing; Huang, Yudong; Yu, Long; Zhang, Dayu; Xu, Xirong; Lin, Jing; Liu, Hu; Guo, Zhanhu

2018-05-01

The interfacial microcracks in the resin matrix composites are difficult to be detected and repaired. However, the self-healing concept provides opportunities to fabricate composites with unusual properties. In the present study, photothermal conversion Ag-Cu2S nanoparticles were immobilized onto poly(p-phenylene benzobisoxazole) (PBO) fibers via a polydopamine chemistry. Benefitting from the photothermal effects of Ag-Cu2S, the obtained PBO fibers (Ag-Cu2S-PBO) efficiently converted the light energy into heat under Xenon lamp irradiation. Then, single PBO fiber composites were prepared using thermoplastic polyurethane as the matrix. It was found that the interfacial damage caused by single fiber pull-out was simply self-healed by Xe light irradiation. This wonderful interfacial damage self-healing property was mainly attributed to the in situ heating generation via photothermal effects of Ag-Cu2S in the composite interface. This paper reports a novel strategy to construct advanced composites with light-triggered self-healing properties, which will provide inspiration for preparing high performance composite materials.

Capillary pressure and saturation relations for supercritical CO2 and brine in sand: High-pressure Pc(Sw) controller/meter measurements and capillary scaling predictions

Science.gov (United States)

Tokunaga, Tetsu K.; Wan, Jiamin; Jung, Jong-Won; Kim, Tae Wook; Kim, Yongman; Dong, Wenming

2013-08-01

In geologic carbon sequestration, reliable predictions of CO2 storage require understanding the capillary behavior of supercritical (sc) CO2. Given the limited availability of measurements of the capillary pressure (Pc) dependence on water saturation (Sw) with scCO2 as the displacing fluid, simulations of CO2 sequestration commonly rely on modifying more familiar air/H2O and oil/H2O Pc(Sw) relations, adjusted to account for differences in interfacial tensions. In order to test such capillary scaling-based predictions, we developed a high-pressure Pc(Sw) controller/meter, allowing accurate Pc and Sw measurements. Drainage and imbibition processes were measured on quartz sand with scCO2-brine at pressures of 8.5 and 12.0 MPa (45°C), and air-brine at 21°C and 0.1 MPa. Drainage and rewetting at intermediate Sw levels shifted to Pc values that were from 30% to 90% lower than predicted based on interfacial tension changes. Augmenting interfacial tension-based predictions with differences in independently measured contact angles from different sources led to more similar scaled Pc(Sw) relations but still did not converge onto universal drainage and imbibition curves. Equilibrium capillary trapping of the nonwetting phases was determined for Pc = 0 during rewetting. The capillary-trapped volumes for scCO2 were significantly greater than for air. Given that the experiments were all conducted on a system with well-defined pore geometry (homogeneous sand), and that scCO2-brine interfacial tensions are fairly well constrained, we conclude that the observed deviations from scaling predictions resulted from scCO2-induced decreased wettability. Wettability alteration by scCO2 makes predicting hydraulic behavior more challenging than for less reactive fluids.

Enhanced interfacial radiation-induced reaction for improving the interfacial adhesion of incompatible polymer blend PP/BR

International Nuclear Information System (INIS)

Liu Changhai; Yang Huili; Xu Jun

1995-01-01

γ-radiation induced interfacial changes of incompatible polymer isotactic polypropylene (PP) and cis1,4-polybutadiene (BR) blends containing polyfunctional monomer (PFM) triallyl isocyanurate (TAIC) were investigated. The results of the study are as following: PP is incompatible with BR; TAIC is hardly dissolved in both PP and BR; when blended with PP/BR, the concentration of TAIC in the interfacial region is higher than that in dispersion phase of BR or matrix of PP. The crosslinking and/or grafting of which TAIC occurred under radiation in the interfacial region anchored the dispersed BR phase to PP matrix. The interaction between adjacent phases is changed from sole van der Waals force to co-action of both chemical bond and molecular forces. Crosslinking between adjacent phases links the dispersed phase with PP matrix, and grafting in the boundary regions increases the thickness of interface. These result in a good interfacial adhesion between dispersed phase and matrix. (author)

Full Characterization of CO2-Oil Properties On-Chip: Solubility, Diffusivity, Extraction Pressure, Miscibility, and Contact Angle.

Science.gov (United States)

Sharbatian, Atena; Abedini, Ali; Qi, ZhenBang; Sinton, David

2018-02-20

Carbon capture, storage, and utilization technologies target a reduction in net CO 2 emissions to mitigate greenhouse gas effects. The largest such projects worldwide involve storing CO 2 through enhanced oil recovery-a technologically and economically feasible approach that combines both storage and oil recovery. Successful implementation relies on detailed measurements of CO 2 -oil properties at relevant reservoir conditions (P = 2.0-13.0 MPa and T = 23 and 50 °C). In this paper, we demonstrate a microfluidic method to quantify the comprehensive suite of mutual properties of a CO 2 and crude oil mixture including solubility, diffusivity, extraction pressure, minimum miscibility pressure (MMP), and contact angle. The time-lapse oil swelling/extraction in response to CO 2 exposure under stepwise increasing pressure was quantified via fluorescence microscopy, using the inherent fluorescence property of the oil. The CO 2 solubilities and diffusion coefficients were determined from the swelling process with measurements in strong agreement with previous results. The CO 2 -oil MMP was determined from the subsequent oil extraction process with measurements within 5% of previous values. In addition, the oil-CO 2 -silicon contact angle was measured throughout the process, with contact angle increasing with pressure. In contrast with conventional methods, which require days and ∼500 mL of fluid sample, the approach here provides a comprehensive suite of measurements, 100-fold faster with less than 1 μL of sample, and an opportunity to better inform large-scale CO 2 projects.

Poly(o-phenylenediamine)/NiCoFe{sub 2}O{sub 4} nanocomposites: Synthesis, characterization, magnetic and dielectric properties

Energy Technology Data Exchange (ETDEWEB)

Kannapiran, Nagarajan [PG and Research Department of Chemistry, Sri Ramakrishna Mission Vidyalaya College of Arts and Science, Coimbatore 641020, Tamil Nadu (India); Muthusamy, Athianna, E-mail: muthusrkv@gmail.com [PG and Research Department of Chemistry, Sri Ramakrishna Mission Vidyalaya College of Arts and Science, Coimbatore 641020, Tamil Nadu (India); Chitra, Palanisamy; Anand, Siddeswaran [PG and Research Department of Chemistry, Sri Ramakrishna Mission Vidyalaya College of Arts and Science, Coimbatore 641020, Tamil Nadu (India); Jayaprakash, Rajan [Nanotechnology Laboratory, Department of Physics, Sri Ramakrishna Mission Vidyalaya College of Arts and Science, Coimbatore 641020, Tamil Nadu (India)

2017-02-01

In this study, poly(o-phenylenediamine) (PoPD)/NiCoFe{sub 2}O{sub 4} nanocomposites were synthesized by in-situ oxidative chemical polymerization method with different amount of NiCoFe{sub 2}O{sub 4} nanoparticles. The NiCoFe{sub 2}O{sub 4} nanoparticles were prepared by auto-combustion method. The structural, morphological, thermal properties of the synthesized PoPD/NiCoFe{sub 2}O{sub 4} nanocomposites were characterized by fourier transform infrared spectrum (FTIR), X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and thermogravimetric analysis (TGA). Magnetic properties of NiCoFe{sub 2}O{sub 4} nanoparticles and PoPD/NiCoFe{sub 2}O{sub 4} nanocomposites were studied by vibrating sample magnetometer (VSM). The FTIR and XRD techniques were used to confirm the formation of PoPD/NiCoFe{sub 2}O{sub 4} nanocomposites. The average crystalline size of NiCoFe{sub 2}O{sub 4} nanoparticles and PoPD/NiCoFe{sub 2}O{sub 4} nanocomposites were calculated from XRD. From the SEM analysis, spherical morphology of the PoPD was confirmed. The TGA results showed that the NiCoFe{sub 2}O{sub 4} nanoparticles have improved the thermal stability of PoPD. Dielectric properties of PoPD/NiCoFe{sub 2}O{sub 4} nanocomposites at different temperatures have been carried in the frequency range 50 Hz to 5 MHz. - Highlights: • Auto-combustion method was support to achieve less particle size. • Green synthesis of PoPD and nanocomposites by in-situ oxidative chemical polymerization method. • For the first time, PoPD incorporated with NiCoFe{sub 2}O{sub 4} nanoparticles. • Ferrite content affects the magnetic and dielectric properties of the nanocomposites.

Rutile-type Co doped SnO{sub 2} diluted magnetic semiconductor nanoparticles: Structural, dielectric and ferromagnetic behavior

Energy Technology Data Exchange (ETDEWEB)

Mehraj, Sumaira, E-mail: sumairamehraj07@gmail.com [Department of Applied Physics, Aligarh Muslim University, Aligarh-202002 (India); Shahnawaze Ansari, M. [Center of Nanotechnology, King Abdulaziz University, Jeddah-21589 (Saudi Arabia); Alimuddin [Department of Applied Physics, Aligarh Muslim University, Aligarh-202002 (India)

2013-12-01

Nanoparticles of basic composition Sn{sub 1−x}Co{sub x}O{sub 2} (x=0.00, 0.01, 0.03, 0.05 and 0.1) were synthesized through the citrate-gel method and were characterized for structural properties using X-ray diffraction (XRD), Scanning electron microscopy (SEM), Energy dispersive X-ray spectroscopy (EDS) and Fourier transform infrared spectroscopy (FT-IR). XRD analysis of the powder samples sintered at 500 °C for 12 h showed single phase rutile type tetragonal structure and the crystallite size decreased as the cobalt content was increased. FT-IR spectrum displayed various bands that came due to fundamental overtones and combination of O–H, Sn–O and Sn–O–Sn entities. The effect of Co doping on the electrical and magnetic properties was studied using dielectric spectroscopy and vibrating sample magnetometer (VSM) at room temperature. The dielectric parameters (ε, tan δ and σ{sub ac}) show their maximum value for 10% Co doping. The dielectric loss shows anomalous behavior with frequency where it exhibits the Debye relaxation. The variation of dielectric properties and ac conductivity with frequency reveals that the dispersion is due to the Maxwell–Wagner type of interfacial polarization in general and hopping of charge between Sn{sup 2+} and Sn{sup 4+} as well as between Co{sup 2+} and Co{sup 3+} ions. The complex impedance analysis was used to separate the grain and grain boundary contributions in the system which shows that the conduction process in grown nanoparticles takes place predominantly through grain boundary volume. Hysteresis loops were observed clearly in M–H curves from 0.01 to 0.1% Co doped SnO{sub 2} samples. The saturation magnetization of the doped samples increased slightly with increase of Co concentration. However pure SnO{sub 2} displayed paramagnetism which vanished at higher values of magnetic field.

Pentiptycene-based polyurethane with enhanced mechanical properties and CO2-plasticization resistance for thin film gas separation membranes.

Science.gov (United States)

Pournaghshband Isfahani, Ali; Sadeghi, Morteza; Wakimoto, Kazuki; Shrestha, Binod Babu; Bagheri, Rouhollah; Sivaniah, Easan; Ghalei, Behnam

2018-04-30

Development of thin film composite (TFC) membranes offers an opportunity to achieve the permeability/selectivity requirements for optimum CO2 separation performance. However, the durability and performance of thin film gas separation membranes are mostly challenged by weak mechanical properties and high CO2 plasticization. Here, we designed new polyurethane (PU) structures with bulky aromatic chain extenders that afford preferred mechanical properties for ultra-thin film formation. An improvement of about 1500% in Young's modulus and 600% in hardness was observed for pentiptycene-based PUs compared to typical PU membranes. Single (CO2, H2, CH4, and N2) and mixed (CO2/N2 and CO2/CH4) gas permeability tests were performed on the PU membranes. The resulting TFC membranes showed a high CO2 permeance up to 1400 GPU (10-6 cm3(STP) cm-2s-1 cmHg-1) and the CO2/N2 and CO2/H2 selectivities of about 22 and 2.1, respectively. The enhanced mechanical properties of pentiptycene-based PUs results in high performance thin membranes with the similar selectivity of the bulk polymer. The thin film membranes prepared from pentiptycene-based PUs also showed a two-fold enhanced plasticization resistance compared to non-pentiptycene containing PU membranes.

Interfacial friction factors for air-water co-current stratified flow in inclined channels

Energy Technology Data Exchange (ETDEWEB)

Choi, Ki Yong; No, Hee Cheon [Korea Advanced Institute of Science and Technology, Taejon (Korea, Republic of)

1998-12-31

The interfacial shear stress is experimentally investigated for co-current air-water stratified flow in inclined rectangular channels having a length of 1854mm, width of 120 mm and height of 40mm at almost atmospheric pressure. Experiments are carried out in several inclinations from 0 deg up to 10 deg. The local film thickness and the wave height are measured at three locations, i.e., L/H = 8,23, and 40. According to the inclination angle, the experimental data are categorized into two groups; nearly horizontal data group (0 deg {<=} {theta} {<=} 0.7 deg), and inclined channel data group (0.7 deg {<=} {theta} {<=} 10 deg ). Experimental observations for nearly horizontal data group show that the flow is not fully developed due to the water level gradient and the hydraulic jump within the channel. For the inclined channel data group, a dimensionless wave height, {Delta}h/h, is empirically correlated in terms of Re{sub G} and h/H. A modified root-mean-square wave height is proposed to consider the effects of the interfacial and wave propagation velocities. It is found that an equivalent roughness has a linear relationship with the modified root-mean-square wave height and its relationship is independent of the inclination. 10 refs., 6 figs., 1 tab. (Author)

Interfacial friction factors for air-water co-current stratified flow in inclined channels

Energy Technology Data Exchange (ETDEWEB)

Choi, Ki Yong; No, Hee Cheon [Korea Advanced Institute of Science and Technology, Taejon (Korea, Republic of)

1997-12-31

The interfacial shear stress is experimentally investigated for co-current air-water stratified flow in inclined rectangular channels having a length of 1854mm, width of 120 mm and height of 40mm at almost atmospheric pressure. Experiments are carried out in several inclinations from 0 deg up to 10 deg. The local film thickness and the wave height are measured at three locations, i.e., L/H = 8,23, and 40. According to the inclination angle, the experimental data are categorized into two groups; nearly horizontal data group (0 deg {<=} {theta} {<=} 0.7 deg), and inclined channel data group (0.7 deg {<=} {theta} {<=} 10 deg ). Experimental observations for nearly horizontal data group show that the flow is not fully developed due to the water level gradient and the hydraulic jump within the channel. For the inclined channel data group, a dimensionless wave height, {Delta}h/h, is empirically correlated in terms of Re{sub G} and h/H. A modified root-mean-square wave height is proposed to consider the effects of the interfacial and wave propagation velocities. It is found that an equivalent roughness has a linear relationship with the modified root-mean-square wave height and its relationship is independent of the inclination. 10 refs., 6 figs., 1 tab. (Author)

Structure and magnetic properties of Heusler alloy Co{sub 2}RuSi melt-spun ribbons

Energy Technology Data Exchange (ETDEWEB)

Xin, Yuepeng; Ma, Yuexing; Hao, Hongyue [School of Materials Science and Engineering, Hebei University of Technology, Tianjin 300130 (China); Luo, Hongzhi, E-mail: luo_hongzhi@163.com [School of Materials Science and Engineering, Hebei University of Technology, Tianjin 300130 (China); Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Meng, Fanbin; Liu, Heyan [School of Materials Science and Engineering, Hebei University of Technology, Tianjin 300130 (China); Liu, Enke; Wu, Guangheng [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China)

2017-08-01

Highlights: • New Heusler alloy Co{sub 2}RuSi has been prepared by melt-spinning successfully. • Magnetic and electronic properties of Co{sub 2}RuSi were investigated. • Ru has a strong site preference for A, C sites in the lattice of Co{sub 2}RuSi. • Site preference of Ru cannot be determined by “number of valence electrons”. - Abstract: Heusler alloy Co{sub 2}RuSi has been synthesized by melt-spinning technology successfully. Co{sub 2}RuSi bulk sample after annealing is composed of an HCP Co-rich phase and a BCC Ru-Si phase, but melt-spinning can suppress the precipitation of the HCP phase and produce a single Co{sub 2}RuSi Heusler phase. In the XRD pattern, it is found that Ru has a strong preference for the (A, C) sites, though it has fewer valence electrons compared with Co. This site preference is different from the case in Heusler alloys containing only 3d elements and is supported further by first-principles calculations. Melt-spun Co{sub 2}RuSi has a M{sub s} of 2.67 μ{sub B}/f.u. at 5 K and a Tc of 491 K. An exothermic peak is observed at 871 K in the DTA curve, corresponding to the decomposition of the Heusler phase. Finally, the site preference and magnetic properties of Co{sub 2}RuSi were discussed based on electronic structure calculation and charge density difference.

Electronic band structures and optical properties of type-II superlattice photodetectors with interfacial effect.

Science.gov (United States)

Qiao, Peng-Fei; Mou, Shin; Chuang, Shun Lien

2012-01-30

The electronic band structures and optical properties of type-II superlattice (T2SL) photodetectors in the mid-infrared (IR) range are investigated. We formulate a rigorous band structure model using the 8-band k · p method to include the conduction and valence band mixing. After solving the 8 × 8 Hamiltonian and deriving explicitly the new momentum matrix elements in terms of envelope functions, optical transition rates are obtained through the Fermi's golden rule under various doping and injection conditions. Optical measurements on T2SL photodetectors are compared with our model and show good agreement. Our modeling results of quantum structures connect directly to the device-level design and simulation. The predicted doping effect is readily applicable to the optimization of photodetectors. We further include interfacial (IF) layers to study the significance of their effect. Optical properties of T2SLs are expected to have a large tunable range by controlling the thickness and material composition of the IF layers. Our model provides an efficient tool for the designs of novel photodetectors.

Fundamental study of CO2-H2O-mineral interactions for carbon sequestration, with emphasis on the nature of the supercritical fluid-mineral interface.

Energy Technology Data Exchange (ETDEWEB)

Bryan, Charles R.; Dewers, Thomas A.; Heath, Jason E.; Wang, Yifeng; Matteo, Edward N.; Meserole, Stephen P.; Tallant, David Robert

2013-09-01

In the supercritical CO2-water-mineral systems relevant to subsurface CO2 sequestration, interfacial processes at the supercritical fluid-mineral interface will strongly affect core- and reservoir-scale hydrologic properties. Experimental and theoretical studies have shown that water films will form on mineral surfaces in supercritical CO2, but will be thinner than those that form in vadose zone environments at any given matric potential. The theoretical model presented here allows assessment of water saturation as a function of matric potential, a critical step for evaluating relative permeabilities the CO2 sequestration environment. The experimental water adsorption studies, using Quartz Crystal Microbalance and Fourier Transform Infrared Spectroscopy methods, confirm the major conclusions of the adsorption/condensation model. Additional data provided by the FTIR study is that CO2 intercalation into clays, if it occurs, does not involve carbonate or bicarbonate formation, or significant restriction of CO2 mobility. We have shown that the water film that forms in supercritical CO2 is reactive with common rock-forming minerals, including albite, orthoclase, labradorite, and muscovite. The experimental data indicate that reactivity is a function of water film thickness; at an activity of water of 0.9, the greatest extent of reaction in scCO2 occurred in areas (step edges, surface pits) where capillary condensation thickened the water films. This suggests that dissolution/precipitation reactions may occur preferentially in small pores and pore throats, where it may have a disproportionately large effect on rock hydrologic properties. Finally, a theoretical model is presented here that describes the formation and movement of CO2 ganglia in porous media, allowing assessment of the effect of pore size and structural heterogeneity on capillary trapping efficiency. The model results also suggest possible engineering approaches for optimizing trapping capacity and for

Influence of fiber surface-treatment on interfacial property of poly(L-lactic acid)/ramie fabric biocomposites under UV-irradiation hydrothermal aging

Energy Technology Data Exchange (ETDEWEB)

Chen Dakai; Li Jing [Institute of Nano- and Bio-polymeric Materials, School of Material Science and Engineering, Tongji University, Shanghai 200092 (China); Ren Jie, E-mail: renjie6598@163.com [Institute of Nano- and Bio-polymeric Materials, School of Material Science and Engineering, Tongji University, Shanghai 200092 (China) and Key Laboratory of Advanced Civil Engineering Materials, Ministry of Education, Tongji University, Shanghai 200092 (China)

2011-04-15

Research highlights: {yields} Ramie fiber is used as reinforced material because it's lowest water absorption among sisal, jute, kenaf and ramie fiber. {yields} Fiber surface-treatment can cause an accelerated decline in mechanical properties of PLLA biocomposites after UV-irradiation hydrothermal aging. {yields} The swelling of ramie fibers reduce the interfacial adhesive strength in critical area of PLLA matrix-ramie fabric interface. - Abstract: The present study is devoted to the effect of fiber surface-treatment on the interfacial property of biocomposites based on poly(L-lactic acid) (PLLA) and ramie fabric. Ramie fiber is used as reinforced material because it's lowest water absorption among sisal, jute, kenaf and ramie fiber. Fiber surface-treatment can increase the water absorption of natural fibers. SEM images show that PLLA biocomposites with treated ramie fabric exhibit better interfacial adhesion character. DMA results show that the storage modulus of PLLA biocomposites with treated ramie increase compared to neat PLLA and PLLA biocomposites with untreated ramie. Unexpectedly, fiber surface-treatment can cause an accelerated decline in mechanical properties of PLLA biocomposites after UV-irradiation hydrothermal aging. Finally, GPC results show that there is no obvious decline in the molecular weight of PLLA. The main reason for this decline is the interfacial destructive effect induced by the water absorption of ramie fiber.

Effect of component substitution on the magnetic properties of Zr2Co11 phase and rapidly quenched Zr2Co11 - based alloys

International Nuclear Information System (INIS)

Gabaj, A.M.; Shchegoleva, N.N.; Gaviko, V.S.; Ivanova, G.V.

2003-01-01

Magnetic properties of homogenized ingots and rapidly quenched ribbons of (Zr 1-x M x ) 16.4 Co 83.6 with M=Ti, Nb, Y, Gd and Zr 16.4 (Co 1-y M* y ) 83.6 with M*= Mn, Fe, Ni, Cu, Al, Ga, Si are studied. The phase composition of the alloys is determined with the help of thermomagnetic analysis and, in specific cases, with the use of X-ray diffraction analysis and electron microscopical data. It is ascertained that a part of zirconium in a phase Zr 2 Co 11 can be replaced by titanium and niobium. The solubility of rare earth elements is noted to be not revealed. Cobalt is partially replaced by Al, Cu, Ga, Si, Ni and Fe in a 2:11 phase, and Mn stabilizes the structure of a Laves phase with unexpectedly strong ferromagnetic properties. For magnetic hardness of the rapidly quenched alloys the introduction of Ti is appeared to be most beneficial. This element enhances noticeably the coercive force and hysteresis loop rectangularity and, as it takes place, it does not change practically magnetic properties of a 2:11 phase but suppresses the formation of dendrites on its crystallization. A small increase of the coercive force is also observed on addition of Cu and Al [ru

Transglutaminase-treated conjugation of sodium caseinate and corn fiber gum hydrolysate: Interfacial and dilatational properties.

Science.gov (United States)

Liu, Yan; Selig, Michael J; Yadav, Madhav P; Yin, Lijun; Abbaspourrad, Alireza

2018-05-01

This study compliments previous work where peroxidase was successfully used to crosslink corn fiber gum (CFG) with bovine serum albumin and improve CFG's emulsifying properties. Herein, an alternative type of enzyme, transglutaminase, was used to prepare conjugates of CFG and sodium caseinate. Additionally, the CFG was partially hydrolyzed by sulfuric acid and its crosslinking pattern with caseinate was evaluated. The interfacial crosslinking degree between caseinate and CFG increased after hydrolysis according to high performance size exclusion chromatography. The equilibrium interfacial tension of CFG hydrolysate-caseinate conjugate was lower than that of CFG-caseinate conjugate as the rearrangement rate of the CFG hydrolysate-caseinate conjugate was higher. The dilatational modulus of CFG hydrolysate decreased from that of CFG. Copyright © 2018 Elsevier Ltd. All rights reserved.

Molecular simulation of the thermophysical properties and phase behaviour of impure CO2 relevant to CCS.

Science.gov (United States)

Cresswell, Alexander J; Wheatley, Richard J; Wilkinson, Richard D; Graham, Richard S

2016-10-20

Impurities from the CCS chain can greatly influence the physical properties of CO 2 . This has important design, safety and cost implications for the compression, transport and storage of CO 2 . There is an urgent need to understand and predict the properties of impure CO 2 to assist with CCS implementation. However, CCS presents demanding modelling requirements. A suitable model must both accurately and robustly predict CO 2 phase behaviour over a wide range of temperatures and pressures, and maintain that predictive power for CO 2 mixtures with numerous, mutually interacting chemical species. A promising technique to address this task is molecular simulation. It offers a molecular approach, with foundations in firmly established physical principles, along with the potential to predict the wide range of physical properties required for CCS. The quality of predictions from molecular simulation depends on accurate force-fields to describe the interactions between CO 2 and other molecules. Unfortunately, there is currently no universally applicable method to obtain force-fields suitable for molecular simulation. In this paper we present two methods of obtaining force-fields: the first being semi-empirical and the second using ab initio quantum-chemical calculations. In the first approach we optimise the impurity force-field against measurements of the phase and pressure-volume behaviour of CO 2 binary mixtures with N 2 , O 2 , Ar and H 2 . A gradient-free optimiser allows us to use the simulation itself as the underlying model. This leads to accurate and robust predictions under conditions relevant to CCS. In the second approach we use quantum-chemical calculations to produce ab initio evaluations of the interactions between CO 2 and relevant impurities, taking N 2 as an exemplar. We use a modest number of these calculations to train a machine-learning algorithm, known as a Gaussian process, to describe these data. The resulting model is then able to accurately

Calculation of thermodynamic properties and transport coefficients of C5F10O-CO2 thermal plasmas

Science.gov (United States)

Li, Xingwen; Guo, Xiaoxue; Murphy, Anthony B.; Zhao, Hu; Wu, Jian; Guo, Ze

2017-10-01

The thermodynamic properties and transport coefficients of C5F10O-CO2 gas mixtures, which are being considered as substitutes for SF6 in circuit breaker applications, are calculated for the temperature range from 300 K to 30 000 K and the pressure range from 0.05 MPa to 1.6 MPa. Special attention is paid on investigating the evolution of thermophysical properties of C5F10O-CO2 mixtures with different mixing ratios and with different pressures; both the mixing ratio and pressure significantly affect the properties. This is explained mainly in terms of the changes in the temperatures at which the dissociation and ionization reactions take place. Comparisons of different thermophysical properties of C5F10O-CO2 mixtures with those of SF6 are also carried out. It is found that most of the thermophysical properties of the C5F10O-CO2 mixtures, such as thermal conductivity, viscosity, and electrical conductivity, become closer to those of SF6 as the C5F10O concentration increases. The composition and thermophysical properties of pure C5F10O in the temperature range from 300 K to 2000 K based on the decomposition pathway are also given. The calculation results provide a basis for further study of the insulation and arc-quenching capability of C5F10O-CO2 gas mixtures as substitutes for SF6.

Spectroscopic and luminescent properties of Co2+ doped tin oxide thin films by spray pyrolysis

Directory of Open Access Journals (Sweden)

K. Durga Venkata Prasad

2016-07-01

Full Text Available The wide variety of electronic and chemical properties of metal oxides makes them exciting materials for basic research and for technological applications alike. Oxides span a wide range of electrical properties from wide band-gap insulators to metallic and superconducting. Tin oxide belongs to a class of materials called Transparent Conducting Oxides (TCO which constitutes an important component for optoelectronic applications. Co2+ doped tin oxide thin films were prepared by chemical spray pyrolysis synthesis and characterized by powder X-ray diffraction, SEM, TEM, FT-IR, optical, EPR and PL techniques to collect the information about the crystal structure, coordination/local site symmetry of doped Co2+ ions in the host lattice and the luminescent properties of the prepared sample. Powder XRD data revealed that the crystal structure belongs to tetragonal rutile phase and its lattice cell parameters are evaluated. The average crystallite size was estimated to be 26 nm. The morphology of prepared sample was analyzed by using SEM and TEM studies. Functional groups of the prepared sample were observed in the FT-IR spectrum. Optical absorption and EPR studies have shown that on doping, Co2+ ions enter in the host lattice as octahedral site symmetry. PL studies of Co2+ doped SnO2 thin films exhibit blue and yellow emission bands. CIE chromaticity coordinates were also calculated from emission spectrum of Co2+ doped SnO2 thin films.

Adsorption of Dissolved Gases (CH4, CO2, H2, Noble Gases) by Water-Saturated Smectite Clay Minerals

Science.gov (United States)

Bourg, I. C.; Gadikota, G.; Dazas, B.

2016-12-01

Adsorption of dissolved gases by water-saturated clay minerals plays important roles in a range of fields. For example, gas adsorption in on clay minerals may significantly impact the formation of CH4 hydrates in fine-grained sediments, the behavior of CH4 in shale, CO2 leakage across caprocks of geologic CO2 sequestration sites, H2 leakage across engineered clay barriers of high-level radioactive waste repositories, and noble gas geochemistry reconstructions of hydrocarbon migration in the subsurface. Despite its importance, the adsorption of gases on clay minerals remains poorly understood. For example, some studies have suggested that clay surfaces promote the formation of CH4 hydrates, whereas others indicate that clay surfaces inhibit the formation of CH4 hydrates. Here, we present molecular dynamics (MD) simulations of the adsorption of a range of gases (CH4, CO2, H2, noble gases) on clay mineral surfaces. Our results indicate that the affinity of dissolved gases for clay mineral surfaces has a non-monotone dependence on the hydrated radius of the gas molecules. This non-monotone dependence arises from a combination of two effects: the polar nature of certain gas molecules (in particular, CO2) and the templating of interfacial water structure by the clay basal surface, which results in the presence of interfacial water "cages" of optimal size for intermediate-size gas molecules (such as Ne or Ar).

Effects of interfacial interaction on the properties of poly(vinyl chloride)/styrene-butadiene rubber blends

Science.gov (United States)

Zhu, Shuihan

PVC/SBR blends---new thermoplastic elastomer material---were developed. They have potential applications due to low costs and low-temperature elasticity. A unique compatibilization method was employed to enhance the mechanical properties of the materials a compatibilizer miscible with one of the blend components can react chemically with the other component(s). Improvements in tensile and impact behavior were observed as a result of the compatibilization. A novel characterization technique to study the interface of PVC/SBR blends was developed. This technique involves the observation of the unstained sample under electron beam irradiation by a transmission electron microscope (TEM). An enrichment of rubber at the interface between PVC and SBR was detected in the compatiblized PVC/SBR blends. Magnetic relaxation measurements show that the rubber concentration in the proximity of PVC increases with the degree of covulcanization between NBR and SBR. The interface development and the rheological effect during processing were investigated. The interfacial concentration profile and the interfacial thickness were obtained by grayscale measurements on TEM micrographs, evaluation of SIMS images, and measurements of micromechanical properties.

Mechanical and interfacial properties of poly(vinyl chloride) based composites reinforced by cassava stillage residue with different surface treatments

Science.gov (United States)

Zhang, Yanjuan; Gan, Tao; Li, Qian; Su, Jianmei; Lin, Ye; Wei, Yongzuo; Huang, Zuqiang; Yang, Mei

2014-09-01

Cassava stillage residue (CSR), a kind of agro-industrial plant fiber, was modified by coupling agent (CA), mechanical activation (MA), and MA-assisted CA (MACA) surface treatments, respectively. The untreated and different surface treated CSRs were used to prepare plant fibers/polymer composites (PFPC) with poly(vinyl chloride) (PVC) as polymer matrix, and the properties of these CSR/PVC composites were compared. Surface treated CSR/PVC composites possessed better mechanical properties, water resistance and dimensional stability compared with the untreated CSR/PVC composite, attributing to the improvement of interfacial properties between CSR and PVC matrix. MACA-treated CSR was the best reinforcement among four types of CSRs (untreated, MA-treated, CA-treated, and MACA-treated CSRs) because MACA treatment led to the significant improvement of dispersion, interfacial adhesion and compatibility between CSR and PVC. MACA treatment could be considered as an effective and green method for enhancing reinforcement efficiency of plant fibers and the properties of PFPC.

Magnetic and dielectric properties of alkaline earth Ca2+ and Ba2+ ions co-doped BiFeO3 nanoparticles

International Nuclear Information System (INIS)

Yang, C.; Liu, C.Z.; Wang, C.M.; Zhang, W.G.; Jiang, J.S.

2012-01-01

Ca 2+ and Ba 2+ ions co-doped BiFeO 3 nanoparticles, Bi 0.8 Ca 0.2−x Ba x FeO 3 (x=0–0.20), were prepared by a sol–gel method. The phase structure, grain size, dielectric and magnetic properties of the prepared samples were investigated. The results showed that the lattice structure of the nanoparticles transformed from rhombohedral (x=0) to orthorhombic (x=0.07–0.19) and then to tetragonal (x=0.20) with x increased. The dielectric properties of the nanoparticles were affected by the properties of the substitutional ions as well as the crystalline structure of the samples. The magnetic properties of the nanoparticles were greatly improved and the T N of the nanoparticles was obviously increased. All the Ca 2+ and Ba 2+ ions co-doped BiFeO 3 nanoparticles presented the high ratio of M r /M from 0.527 to 0.571 and large coercivity from 4.335 to 5.163 KOe. - Highlights: ► Ca 2+ and Ba 2+ ions co-doped BiFeO 3 nanoparticles were prepared using a sol–gel method. ► The magnetic properties of the nanoparticles are greatly improved. ► The Neel temperature (T N ) of the nanoparticles is greatly increased. ► Doped ions and crystal structure affect the dielectric properties of the nanoparticles.

Interfacial properties of black phosphorus/transition metal carbide van der Waals heterostructures

Science.gov (United States)

Yuan, Hao; Li, Zhenyu

2018-06-01

Owing to its outstanding electronic properties, black phosphorus (BP) is considered as a promising material for next-generation optoelectronic devices. In this work, devices based on BP/MXene (Zr n+1C n T2, T = O, F, OH, n = 1, 2) van der Waals (vdW) heterostructures are designed via first-principles calculations. Zr n+1C n T2 compositions with appropriate work functions lead to the formation of Ohmic contact with BP in the vertical direction. Low Schottky barriers are found along the lateral direction in BP/Zr2CF2, BP/Zr2CO2H2, BP/Zr3C2F2, and BP/Zr3C2O2H2 bilayers, and BP/Zr3C2O2 even exhibits Ohmic contact behavior. BP/Zr2CO2 is a semiconducting heterostructure with type-II band alignment, which facilitates the separation of electron-hole pairs. The band structure of BP/Zr2CO2 can be effectively tuned via a perpendicular electric field, and BP is predicted to undergo a transition from donor to acceptor at a 0.4 V/Å electric field. The versatile electronic properties of the BP/MXene heterostructures examined in this work highlight their promising potential for applications in electronics.

Diagnosis of schistosomiasis japonica with interfacial co-assembly-based multi-channel electrochemical immunosensor arrays

Science.gov (United States)

Deng, Wangping; Xu, Bin; Hu, Haiyan; Li, Jianyong; Hu, Wei; Song, Shiping; Feng, Zheng; Fan, Chunhai

2013-05-01

Schistosomiasis control remains to be an important and challenging task in the world. However, lack of quick, simple, sensitive and specific sero-diagnostic test is still a hurdle in the control practice. The commonly employed enzyme-linked immuno-sorbent assay (ELISA) relies on the native soluble egg antigen (SEA) that is limited in supply. Here we developed an electrochemical immunosensor array (ECISA) assay with an interfacial co-assembly strategy. A recombinant Schistosoma japonicum (Sj) calcium-binding protein (SjE16) was used as a principal antigen, while the SEA as a minor, co-assembling agent, with a ratio of 8:1 (SjE16: SEA, Sj16EA), which was co-immobilized on a disposable 16-channel screen-printed carbon electrode array. A portable electrochemical detector was employed to detect antibodies in serum samples. The sensitivity of ECISA reached 100% with minimal cross-reactions. Therefore, we have demonstrated that this rapid, sensitive and specific ECISA technique has the potential to perform large-scale on-site screening of Sj infection.

Photo-conversion of CO2 using titanium dioxide: enhancements by plasmonic and co-catalytic nanoparticles

International Nuclear Information System (INIS)

Mankidy, Bijith D; Joseph, Babu; Gupta, Vinay K

2013-01-01

Converting carbon dioxide (CO 2 ) to hydrocarbons that can be used as fuels is beneficial from both environmental and economic points of view. In this study, nanoparticles are designed to enhance the photoreduction of CO 2 on a titanium dioxide (TiO 2 ) catalyst. An increase in catalytic activity is reported when silver (Ag), platinum (Pt) or bimetallic Ag–Pt and core–shell Ag@silica (SiO 2 ) nanoparticles are used with the TiO 2 semiconductor catalyst. Nanoparticles with different elemental composition or geometrical structure facilitate successive photo-excitation steps—generation, transport, storage and interfacial transfer of electrons and holes. Results show that while the addition of either type of nanoparticles augments product formation rates, bimetallic co-catalysts improve product selectivity. When both bimetallic co-catalysts and Ag@SiO 2 nanoparticles are used in combination, product yields are enhanced more than seven fold in comparison to native TiO 2 and high selectivity for methane (CH 4 ) is observed. When the bimetallic Ag–Pt co-catalysts are tuned, a selectivity of CH 4 of approximately 80%, as compared to 20% with only TiO 2 , can be achieved. (paper)

Optimization of foaming properties of sludge protein solution by 60Co γ-ray/H2O2 using response surface methodology

International Nuclear Information System (INIS)

Xiang, Yulin; Xiang, Yuxiu; Wang, Lipeng; Zhang, Zhifang

2016-01-01

Response surface methodology and Box-Behnken experimental design were used to model and optimize the operational parameters of foaming properties of the sludge protein solution by 60 Co γ-ray/H 2 O 2 treatment. The four variables involved in this research were the protein solution concentration, H 2 O 2 , pH and dose. In the range studied, statistical analysis of the results showed that selected variables had a significant effect on protein foaming properties. The optimized conditions contained: protein solution concentration 26.50% (v/v), H 2 O 2 concentration 0.30% (v/v), pH value 9.0, and dose 4.81 kGy. Under optimal conditions, the foamability and foam stability approached 23.3 cm and 21.3 cm, respectively. Regression analysis with R 2 value of 0.9923 (foamability) and 0.9922 (foam stability) indicated a satisfactory correlation between the experimental data and predicted values (response). In addition, based on a feasibility analysis, the 60 Co γ-ray/H 2 O 2 method can improve odor and color of the protein foaming solution. - Highlights: • Effects of 60 Co γ-ray/H 2 O 2 on foaming properties of sludge protein were studied. • Response surface methodology and Box-Behnken experimental design were applied. • 60 Co γ-ray/H 2 O 2 method can improve foaming properties of protein solution.

Perpendicular magnetic anisotropy of CoFeB\\Ta bilayers on ALD HfO2

Directory of Open Access Journals (Sweden)

Bart F. Vermeulen

2017-05-01

Full Text Available Perpendicular magnetic anisotropy (PMA is an essential condition for CoFe thin films used in magnetic random access memories. Until recently, interfacial PMA was mainly known to occur in materials stacks with MgO\\CoFe(B interfaces or using an adjacent crystalline heavy metal film. Here, PMA is reported in a CoFeB\\Ta bilayer deposited on amorphous high-κ dielectric (relative permittivity κ=20 HfO2, grown by atomic layer deposition (ALD. PMA with interfacial anisotropy energy Ki up to 0.49 mJ/m2 appears after annealing the stacks between 200°C and 350°C, as shown with vibrating sample magnetometry. Transmission electron microscopy shows that the decrease of PMA starting from 350°C coincides with the onset of interdiffusion in the materials. High-κ dielectrics are potential enablers for giant voltage control of magnetic anisotropy (VCMA. The absence of VCMA in these experiments is ascribed to a 0.6 nm thick magnetic dead layer between HfO2 and CoFeB. The results show PMA can be easily obtained on ALD high-κ dielectrics.

Electromagnetic and microwave absorption properties of single-walled carbon nanotubes and CoFe{sub 2}O{sub 4} nanocomposites

Energy Technology Data Exchange (ETDEWEB)

Li, Guo; Sheng, Leimei, E-mail: slmss@shu.edu.cn; Yu, Liming; An, Kang; Ren, Wei; Zhao, Xinluo, E-mail: xlzhao@shu.edu.cn

2015-03-15

Highlights: • LPA-SWCNTs have been abundantly fabricated by a facile, time-saving, economical and non-hazardous method using DC arc discharge technique in low-pressure air. • The electromagnetic and microwave absorption properties of LPA-SWCNTs, CoFe{sub 2}O{sub 4} nanocrystals and LPA-SWCNT/CoFe{sub 2}O{sub 4} nanocomposites were investigated and the LPA-SWCNT/CoFe{sub 2}O{sub 4} nanocomposites exhibited excellent microwave absorption properties. • The Debye theory and impedance matching were used to analyze the electromagnetic parameters and microwave absorption properties. - Abstract: Single-walled carbon nanotubes were facilely and abundantly synthesized by low-pressure air arc discharge method (LPA-SWCNTs), and CoFe{sub 2}O{sub 4} nanocrystals were synthesized by a nitrate citric acid sol–gel auto-ignition method. The electromagnetic and microwave absorption properties of LPA-SWCNTs, CoFe{sub 2}O{sub 4} nanocrystals and their nanocomposites were investigated. The LPA-SWCNT/CoFe{sub 2}O{sub 4} nanocomposites showed excellent microwave absorption properties. The minimum efficient reflection loss is −30.7 dB at 12.9 GHz for 10 wt% of LPA-SWCNTs in the nanocomposites, and an effective absorption bandwidth with a reflection loss below −10 dB is 7.2 GHz. The Debye equation and impedance matching were introduced to explain the microwave absorption properties. Compared with the single-component materials, the LPA-SWCNT/CoFe{sub 2}O{sub 4} nanocomposites are an excellent candidate for microwave absorbers.

Ultra-selective defect-free interfacially polymerized molecular sieve thin-film composite membranes for H2 purification

KAUST Repository

Ali, Zain

2017-10-10

Purification is a major bottleneck towards generating low-cost commercial hydrogen. In this work, inexpensive high-performance H2 separating membranes were fabricated by modifying the commercially successful interfacial polymerization production method for reverse osmosis membranes. Defect-free thin-film composite membranes were formed demonstrating unprecedented mixed-gas H2/CO2 selectivity of ≈ 50 at 140 °C with H2 permeance of 350 GPU, surpassing the permeance/selectivity upper bound of all known polymer membranes by a wide margin. The combination of exceptional separation performance and low manufacturing cost makes them excellent candidates for cost-effective hydrogen purification from steam cracking and similar processes.

Glass additive influence on the sintering behavior, microstructure and microwave magnetic properties of Cu-Bi-Zn co-doped Co2Z ferrites

International Nuclear Information System (INIS)

Hsiang, Hsing-I; Mei, Li-Then; Hsi, Chi-Shiung; Wu, Wei-Cheng; Cheng, Li-Bao; Yen, Fu-Su

2011-01-01

The Bi 2 O 3 -B 2 O 3 -ZnO-SiO 2 (BB35SZ) glass effects on the sintering behavior and microwave magnetic properties of Cu-Bi-Zn co-doped Co 2 Z ferrites were investigated to develop low-temperature-fired ferrites. The glass wetting characteristics on the Co 2 Z ferrite surface, X-ray diffractometer, scanning electron microscopy and a dilatometer were used to examine the BB35SZ glass effect on Co 2 Z ferrite densification and the chemical reaction between the glass and Co 2 Z ferrites. The results indicate that BB35SZ glass can be used as a sintering aid to reduce the densification temperature of Co 2 Z ferrites from 1300 to 900 o C. 3(Ba 0.9 Bi 0.1 O).2(Co 0.8 Cu 0.2 O).12(Fe 1.975 Zn 0.025 O 3 ) ferrite with 2 wt% BB35SZ glass can be densified below 900 o C, exhibiting an initial permeability of 3.4. This process provides a promising candidate for multilayer chip magnetic devices for microwave applications. - Research highlights: → Bi 2 O 3 -B 2 O 3 -ZnO-SiO 2 glass can effectively wet Co 2 Z ferrites and promote Co 2 Z ferrite densification. → The excess substitution of Bi and Zn (x=0.2) and glass addition enhanced Z phase decomposition into U, W and spinel phases, which resulted in magnetic property degradation. → 3(Ba 0.9 Bi 0.1 O).2(Co 0.8 Cu 0.2 O).12(Fe 1.975 Zn 0.025 O 3 ) ferrite with 2 wt% glass can be densified at below 900 o C and exhibits an initial permeability of 3.4, which provides a promising candidate for multilayer chip magnetic devices for microwave applications.

Influence of CaCO3 and SiO2 additives on magnetic properties of M-type Sr ferrites

Science.gov (United States)

Huang, Ching-Chien; Jiang, Ai-Hua; Hung, Yung-Hsiung; Liou, Ching-Hsuan; Wang, Yi-Chen; Lee, Chi-Ping; Hung, Tong-Yin; Shaw, Chun-Chung; Kuo, Ming-Feng; Cheng, Chun-Hu

2018-04-01

An experiment was carried out to investigate the influence of CaCO3 and SiO2 additives on the magnetic and physical properties of M-type Sr ferrites by changing experimental parameters such as the additive composition and Ca/Si ratio. Specimens were prepared by conventional ceramic techniques. It was found that the magnetic properties (Br = 4.42 kG, iHc = 3.32 kOe and (BH)max = 4.863 MGOe) were considerably improved upon adding CaCO3 = 1.1% and SiO2 = 0.4 wt% together with Co3O4, and the mechanical properties thereof were acceptable for motor applications. It was revealed that CaCO3 and SiO2 additives led to an upswing in the magnetic properties via the enhancement of uniform grain growth, particle alignment, and the densification of Sr ferrite.

Electrical transport properties of large, individual NiCo{sub 2}O{sub 4} nanoplates

Energy Technology Data Exchange (ETDEWEB)

Hu, Linfeng; Wu, Limin; Hu, Xinhua; Fang, Xiaosheng [Department of Materials Science, Fudan University, Shanghai (China); Liao, Meiyong [Optical and Electronic Materials Unit, National Institute for Materials Science (NIMS), Namiki, Tsukuba, Ibaraki (Japan)

2012-03-07

Understanding the electrical transport properties of individual semiconductor nanostructures is crucial to advancing their practical applications in high-performance nanodevices. Large-sized individual nanostructures with smooth surfaces are preferred because they can be easily made into nanodevices using conventional photolithography procedures rather than having to rely on costly and complex electron-beam lithography techniques. In this study, micrometer-sized NiCo{sub 2}O{sub 4} nanoplates are successfully prepared from their corresponding hydroxide precursor using a quasi-topotactic transformation. The Co/Ni atomic arrangement shows no changes during the transformation from the rhombohedral LDH precursor (space group R anti 3 m) to the cubic NiCo{sub 2}O{sub 4} spinel (space group Fd anti 3 m), and the nanoplate retains its initial morphology during the conversion process. In particular, electrical transport within an individual NiCo{sub 2}O{sub 4} nanoplate is further investigated. The mechanisms of electrical conduction in the low-temperature range (T < 100 K) can be explained in terms of the Mott's variable-range hopping model. At high temperatures (T > 100 K), both the variable-range hopping and nearest-neighbor hopping mechanisms contribute to the electrical transport properties of the NiCo{sub 2}O{sub 4} nanoplate. These initial results will be useful to understanding the fundamental characteristics of these nanoplates and to designing functional nanodevices from NiCo{sub 2}O{sub 4} nanostructures. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Mechanical properties of CO2/MIG welded structural rolled steel and stainless steel

International Nuclear Information System (INIS)

Lim, Jong Young; Yoon, Myong Jin; Kim, Sang Youn; Kim, Tae Gyu; Shin, Hyeon Seung

2015-01-01

To accomplish long-term use of specific parts of steel, welding technology is widely applied. In this study, to compare the efficiency in improving mechanical properties, rolled steel (SS400) was welded with stainless steel (STS304) by both CO 2 welding method and MIG (metal inert gas) welding method, respectively. Multi-tests were conducted on the welded specimen, such as X-ray irradiation, Vickers' Hardness, tensile test, fatigue test and fatigue crack growth test. Based on the fatigue crack growth test performed by two different methods, the relationship of da/dN was analyzed. Although the hardness by the two methods was similar, tensile test and fatigue properties of MIG welded specimen are superior to CO 2 welded one.

Modulation of interfacial electronic properties in PbI{sub 2} and BN van der Waals heterobilayer via external electric field

Energy Technology Data Exchange (ETDEWEB)

Ma, Yaqiang [College of Physics and Materials Science, Henan Normal University, Xinxiang 453007 (China); Zhao, Xu, E-mail: zhaoxu@htu.cn [College of Physics and Materials Science, Henan Normal University, Xinxiang 453007 (China); Niu, Mengmeng [College of Physics and Materials Science, Henan Normal University, Xinxiang 453007 (China); Dai, Xianqi, E-mail: xqdai@htu.cn [College of Physics and Materials Science, Henan Normal University, Xinxiang 453007 (China); School of Physics and Electronic Engineering, Zhengzhou Normal University, Zhengzhou, Henan 450044 (China); Li, Wei [College of Physics and Materials Science, Henan Normal University, Xinxiang 453007 (China); Wang, Xiaolong [College of Physics and Materials Science, Henan Normal University, Xinxiang 453007 (China); State Key Laboratory of Information Photonics and Optical Communication, Beijing University Posts and Telecommunications, Beijing 100876 (China); Zhao, Mingyu; Wang, Tianxing [College of Physics and Materials Science, Henan Normal University, Xinxiang 453007 (China); Tang, Yanan [School of Physics and Electronic Engineering, Zhengzhou Normal University, Zhengzhou, Henan 450044 (China)

2017-07-31

Highlights: • An atomically type-II heterobilayer which is suitable for optoelectronics and solar cell with wide bandgap was formed. • The charge redistribution is mainly on the surface and the amount of electrons depends on the strength of E{sub field}. • The bandgaps varying with E{sub field} can be divided into three ranges indicating different E{sub field}-sensitive which may possess potential in sensor. • Increasing the E{sub field} upon 0.07 V/Å, the band alignment converts from type-II to type-I heterojunction. - Abstract: The interfacial electronic properties of PbI{sub 2} and BN van der Waals (vdW) heterobilayer are explored by using density functional theory (DFT) method. An intrinsic type-II heterostructure with a wide bandgap is demonstrated. The spatial separation of the lowest energy electron-hole pairs can be actualised and make PbI{sub 2}/BN heterostructure as a good candidate for applications in optoelectronics and solar cell. A simulation of E{sub field} is actualized to modify its electronic properties. Band alignment converts from type-II to type-I heterostructure separated by a forward voltage with the value of about 0.07 V/Å. Three regions implying different E{sub field}-sensitive properties are obtained from the variations of bandgap with E{sub field}. The charge redistribution with an E{sub field} is mainly on the surface of PbI{sub 2} and BN layers as well as the amount of electrons depends on the strength of E{sub field}. In addition, the PbI{sub 2}/BN heterobilayer exhibits more outstanding optical conductivity capability. Our results could bring forward a new perspective on sensor and shed light on the design of novel nano- and optoelectronics based on the PbI{sub 2}/BN vdW heterostructure.

Probing and Manipulating the Interfacial Defects of InGaAs Dual-Layer Metal Oxides at the Atomic Scale.

Science.gov (United States)

Wu, Xing; Luo, Chen; Hao, Peng; Sun, Tao; Wang, Runsheng; Wang, Chaolun; Hu, Zhigao; Li, Yawei; Zhang, Jian; Bersuker, Gennadi; Sun, Litao; Pey, Kinleong

2018-01-01

The interface between III-V and metal-oxide-semiconductor materials plays a central role in the operation of high-speed electronic devices, such as transistors and light-emitting diodes. The high-speed property gives the light-emitting diodes a high response speed and low dark current, and they are widely used in communications, infrared remote sensing, optical detection, and other fields. The rational design of high-performance devices requires a detailed understanding of the electronic structure at this interface; however, this understanding remains a challenge, given the complex nature of surface interactions and the dynamic relationship between the morphology evolution and electronic structures. Herein, in situ transmission electron microscopy is used to probe and manipulate the structural and electrical properties of ZrO 2 films on Al 2 O 3 and InGaAs substrate at the atomic scale. Interfacial defects resulting from the spillover of the oxygen-atom conduction-band wavefunctions are resolved. This study unearths the fundamental defect-driven interfacial electric structure of III-V semiconductor materials and paves the way to future high-speed and high-reliability devices. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Investigation of Mechanical Properties and Interfacial Mechanics of Crystalline Nanomaterials

Science.gov (United States)

Qin, Qingquan

ultimate tensile strength were found to all increased as the NW diameter decreased. For the temperature effect study, a brief review on brittle-to-ductile transition (BDT) of silicon (Si) is presented. BDT temperature shows decreasing trend as size of the sample decrease. However, controversial results have been reported in terms of brittle or ductile behaviors for Si NWs at room temperature. A microelectromechanical systems (MEMS) thermal actuator (ETA) was designed to test NW without involving external heating. To circumvent undesired heating of the end effector, heat sink beams that can be co-fabricated with the thermal actuator were introduced. A combined modeling and experimental study was conducted to access the effect of such heat sink beams. Temperature distribution was measured and simulated using Raman scattering and multiphysics finite element method, respectively. Our results demonstrated that heat sink beams are effective in reducing the temperature of the thermal actuator. To get elevated temperature in a controllable fashion, a comb drive actuator was designed with separating actuation and heating mechanisms. Multiphysics finite element analysis (coupled electrical-thermal-mechanical) was used to optimize structure design and minimize undesired thermal loading/unloading. A Si NW with diameter of 50 nm was tested on the device under different temperatures. Stress strain curves at different temperatures revealed that plastic deformation occurs at temperature of 55 °C. For interfacial mechanics, we report an experimental study on the friction between Ag and ZnO NW tips (ends) and a gold substrate. An innovative experimental method based on column buckling theory was developed for the friction measurements. Direct measurements of the static friction force and interfacial shear strength between Si NWs and poly(dimethylsiloxane) (PDMS) is reported. The static friction and shear strength were found to increase rapidly and then decrease with the increasing

Supertoughened Biobased Poly(lactic acid)-Epoxidized Natural Rubber Thermoplastic Vulcanizates: Fabrication, Co-continuous Phase Structure, Interfacial in Situ Compatibilization, and Toughening Mechanism.

Science.gov (United States)

Wang, Youhong; Chen, Kunling; Xu, Chuanhui; Chen, Yukun

2015-09-10

In the presence of dicumyl peroxide (DCP), biobased thermoplastic vulcanizates (TPVs) composed of poly(lactic acid) (PLA) and epoxidized natural rubber (ENR) were prepared through dynamic vulcanization. Interfacial in situ compatibilization between PLA and ENR phases was confirmed by Fourier transform infrared spectroscopy (FT-IR). A novel "sea-sea" co-continuous phase in the PLA/ENR TPVs was observed through scanning electron microscopy (SEM) and differed from the typical "sea-island" morphology that cross-linked rubber particles dispersed in plastic matrix. A sharp, brittle-ductile transition occurred with 40 wt % of ENR, showing a significantly improved impact strength of 47 kJ/m(2), nearly 15 times that of the neat PLA and 2.6 times that of the simple blend with the same PLA/ENR ratio. Gel permeation chromatography (GPC) and dynamic mechanical analysis (DMA) results suggested that a certain amount of DCP was consumed in the PLA phase, causing a slight cross-linking or branching of PLA molecules. the effects of various DCP contents on the impact property were investigated. The toughening mechanism under impact testing was researched, and the influence factors for toughening were discussed.

Photocatalytic properties of Co_3O_4/LiCoO_2 recycled from spent lithium-ion batteries using citric acid as leaching agent

International Nuclear Information System (INIS)

Santana, I.L.; Moreira, T.F.M.; Lelis, M.F.F.; Freitas, M.B.J.G.

2017-01-01

In this work, cobalt and lithium from the cathodes of spent lithium-ion batteries were recycled to synthesize a mixture of Co_3O_4 and LiCoO_2. The positive electrode was leached with citric acid in the green recycling. After being heated to 85 °C, the leaching solution formed a pink sol, and after being dried at 120 °C for 24 h, it formed a gel, which is a precursor material for Co_3O_4 and LiCoO_2 synthesis. A mixture of Co_3O_4 and LT-LiCoO_2 was obtained after the calcination of the precursor material at 450 °C for 3 h. The photocatalytic properties of the Co_3O_4 and LiCoO_2 were tested in the discoloration of methylene blue dye. The discoloration efficiency of methylene blue dye in the presence of Co_3O_4 and LiCoO_2 was 90% after 10 h and 100% after 24 h of heterogeneous catalysis. The contribution of this work is that it presents a means to produce valuable materials with photocatalytic properties from recycled batteries through a spent Li-ion battery recycling process without polluting the environment. - Highlights: • Synthesis a mixture of Co_3O_4/LiCoO_2 from spent Li-ion batteries. • Citric acid for leaching of the cathodes of the spent Li-ion batteries. • Co_3O_4/LiCoO_2 as catalysts in the photodegradation of the methylene blue dye.

Interfacial behavior of polar, weakly polar, and nonpolar compounds bound to activated carbons.

Science.gov (United States)

Gun'ko, V M; Turov, V V; Zarko, V I; Goncharuk, O V; Nychiporuk, Yu M; Kozynchenko, O P; Skubiszewska-Zięba, J; Leboda, R; Charmas, B; Balakin, D Yu; Ptushinskii, Yu G

2013-08-15

Detailed analysis of the interfacial behavior of water and weakly polar or nonpolar organics adsorbed alone or co-adsorbed onto activated carbons (AC) at different temperatures is a complex problem important for practical applications of adsorbents. Interaction of water, 1-decanol, and n-decane with AC possessing highly developed porosity (pore volume Vp≈1.4-2.3 cm(3)/g, specific surface area S(BET)≈1500-3500 m(2)/g) was studied over a broad temperature range using differential scanning calorimetry (DSC), thermoporometry, (1)H NMR spectroscopy, cryoporometry, and temperature-programmed desorption with mass-spectrometry control methods. Comparison of the pore size distributions (PSD) calculated using the DSC thermoporometry, NMR cryoporometry, and nitrogen adsorption isotherms allows us to determine localization of adsorbates in different pores, as well as changes in the PSD of AC due to freezing of adsorbates in pores. Theoretical calculations (using ab initio HF/6-31G(d,p), DFT B3LYP/6-31G(d,p), and PM7 methods) explain certain aspects of the interfacial behavior of water, decane, and decanol adsorbed onto AC that appear in the experimental data. Obtained results show strong temperature dependence (above and below the freezing point, Tf, of bulk liquids) of the interfacial behavior of adsorbates on the textural characteristics and hydrophilic/hydrophobic properties of AC and the adsorbate amounts that affect the distributions of adsorbates unfrozen at T

Ionic Liquids as the MOFs/Polymer Interfacial Binder for Efficient Membrane Separation.

Science.gov (United States)

Lin, Rijia; Ge, Lei; Diao, Hui; Rudolph, Victor; Zhu, Zhonghua

2016-11-23

Obtaining strong interfacial affinity between filler and polymer is critical to the preparation of mixed matrix membranes (MMMs) with high separation efficiency. However, it is still a challenge for micron-sized metal organic frameworks (MOFs) to achieve excellent compatibility and defect-free interface with polymer matrix. Thin layer of ionic liquid (IL) was immobilized on micron-sized HKUST-1 to eliminate the interfacial nonselective voids in MMMs with minimized free ionic liquid (IL) in polymer matrix, and then the obtained IL decorated HKUST-1 was incorporated into 4,4'-(hexafluoroisopropylidene)diphthalic anhydride-2,3,5,6-tetramethyl-1,3-phenyldiamine (6FDA-Durene) to fabricate MMMs. Acting as a filler/polymer interfacial binder, the favorable MOF/IL and IL/polymer interaction can facilitate the enhancement of MOF/polymer affinity. Compared to MMM with only HKUST-1 incorporation, MMM with IL decorated HKUST-1 succeeded in restricting the formation of nonselective interfacial voids, leading to an increment in CO 2 selectivity. The IL decoration method can be an effective approach to eliminate interfacial voids in MMMs, extending the filler selection to a wide range of large-sized fillers.

Electronic Structure and Thermoelectric Properties of Ca3 Co4O9

Institute of Scientific and Technical Information of China (English)

无

2006-01-01

The relation among electronic structure, chemical bond and thermoelectric property of Ca3 Co4 O9 was studied using density function and discrete variation method (DFT-DVM).The gap between the highest valence band (HVB) and the lowest conduction band (LCB) shows a semiconducting property.Ca3 Co4 O9 colsists of CoO2 and Ca2 CoO3 two layers.The HVB and LCB near Fermi level are only mainly from O(2) 2p and Co(2) 3d in Ca2 CoO3 layer. Therefore, the semiconducting or thermoelectric property of Ca3 Co4 O9 should be mainly from Ca2 CoO3 layer, but it seems to have no direct relation to the CoO2 layer,which is consistent with that binary oxides hardly have a thermoelectric property, but trinary oxide compounds have quite a good thermoelectric property.The covalent and ionic bonds of Ca2 CoO3 layer are both weaker than those of CoO2 layer.Ca plays the role of connections between CoO2 and Ca2 CoO3 layers in Ca3 Co4 O9, decrease the ionic and covalent bond strength, and improve the thermoelectric property.

Rheological, mechanical and morphological properties of poly(methyl methacrylate/poly(ethylene terephthalate blend with dual reactive interfacial compatibilization

Directory of Open Access Journals (Sweden)

Juciklécia da Silva Reinaldo

2015-10-01

Full Text Available Abstract In this work, the rheological, mechanical and morphological behavior of immiscible blend poly (methyl methacrylate with elastomeric particles (PMMAelast and post-consumer poly (ethylene terephthalate (PET with and without the use of the interfacial compatibilizer poly (methyl methacrylate-co-glycidyl methacrylate-co-ethyl acrylate (MGE was studied. The significant increase in torque presented in rheological analyses has shown a indication of chemical reactions between the epoxy group of MGE with end groups of PET chains and also with the elastomeric phase of PMMAelast. The increased concentration of PET yielded an increase in maximum strength and elasticity modulus and a decrease in elongation at break. The PMMAelast/PET binary blend (50/50 wt% and PMMAelast/PET/MGE compatibilized blend (65/30/5 wt% showed pronounced results in elongation at break compared to PMMAelast, whereas, in the first results were due to the evidence of a co-continuous morphological structure and in the second, due to the efficiency of the dual reactive interfacial compatibilization of PMMAelast/PET blends. Scanning electron microscopy (SEM and transmission electron microscopy (TEM analyses showed that PMMAelast/PET/MGE blends exhibit complex phase morphology due to the presence of elastomeric particles in the PMMAelast copolymer and in the use of MGE terpolymer.

Transient interfacial tension and dilatational rheology of diffuse polymer-polymer interfaces

NARCIS (Netherlands)

Peters, G.W.M.; Zdravkov, A.N.; Meijer, H.E.H.

2005-01-01

We demonstrate the influence of molecular weight and molecular weightasymmetry across an interface on the transient behavior of the interfacial tension. The interfacial tension was measured as a function of time for a range of polymer combinations with a broadrange of interfacial properties using a

Thermal stability study of the insulator layer in NiFe/CoFe/Al2O3/Co spin-dependent tunnel junction

International Nuclear Information System (INIS)

Liao, C.C.; Ho, C.H.; Huang, R.-T.; Chen, F.-R.; Kai, J.J.; Chen, L.-C.; Lin, M.-T.; Yao, Y.D.

2002-01-01

Spin-dependent tunnel junction, NiFe/CoFe/Al 2 O 3 /Co//Si, was fabricated to investigate the thermal stability induced diffusion behaviors. The interfacial diffusion causes the degradation of the ratio of the TMR, the enhancement of the switching field of the two magnetic electrodes, the thickness decrease of the insulator layer, and the increase of the interfacial roughness. The outward diffusion of oxygen from the insulator layer is faster than that of aluminum for samples annealed below 400 deg. C. The degradation of the ratio of TMR is attributed to the disturbance of the spin polarization in the magnetic layers, and the increase of the pinholes and spin-flip effect in the insulator layer. The relative roughness between the two interfaces of the insulator induces the surface magnetic dipoles, and hence, increases the switching field of the ferromagnetic electrodes

Sulfonated methyl esters of fatty acids in aqueous solutions: Interfacial and micellar properties.

Science.gov (United States)

Danov, Krassimir D; Stanimirova, Rumyana D; Kralchevsky, Peter A; Basheva, Elka S; Ivanova, Veronika I; Petkov, Jordan T

2015-11-01

The interest to sulfonated methyl esters of fatty acids (SME) has been growing during the last decade, because these surfactants are considered as an environmentally friendly and renewable alternative of the linear alkyl-benzene sulfonates (LAS). Here, we present a quantitative study on the properties of aqueous SME solutions, and especially on their surface tension isotherms, critical micelle concentration (CMC) and its dependence on the concentration of added NaCl. It is demonstrated that the CMC of an ionic surfactant determined by electrical conductivity is insensitive to the presence of a small nonionic admixture, so that the CMC values determined by conductivity represent the CMC of the pure surfactant. Using SME as an example, we have demonstrated the application of a new and powerful method for determining the physicochemical parameters of the pure ionic surfactant by theoretical data analysis ("computer purification") if the used surfactant sample contains nonionic admixtures, which are present as a rule. This method involves fits of the experimental data for surface tension and conductivity by a physicochemical model based on a system of mass-balance, chemical-equilibrium and electric-double-layer equations, which allows us to determine the adsorption and micellization parameters of C12-, C14-, C16- and C18-SME, as well the fraction of nonionic admixtures (if any). Having determined these parameters, we can further predict the interfacial and micellization properties of the surfactant solutions, such as surface tension, adsorption, degree of counterion binding, and surface electric potential at every surfactant, salt and co-surfactant concentrations. Copyright © 2015 Elsevier Inc. All rights reserved.

The molecular understanding of interfacial interactions of functionalized graphene and chitosan

International Nuclear Information System (INIS)

Zhang, Hong-ping; Luo, Xue-gang; Lin, Xiao-yan; Lu, Xiong; Tang, Youhong

2016-01-01

Graphical abstract: The type of the functional groups can be used to modulating interactions between graphene sheet and chitosan. - Highlights: • Investigate interfacial interactions between chitosan and functionalized graphene by DFT. • Observe covalent linkages between COOH-modified graphene and chitosan units. • Multi-functionalized graphene regulates the interfacial interactions with chitosan. • It is useful for guiding the preparation of graphene/chitosan composites. - Abstract: Graphene-reinforced chitosan scaffolds have been extensively studied for several years as promising hard tissue replacements. However, the interfacial interactions between graphene and chitosan are strongly related to the solubility, processability, and mechanical properties of graphene-reinforced chitosan (G–C) composites. The functionalization of graphene is regarded as the most effective way to improve the abovementioned properties of the G–C composite. In this study, the interfacial interactions between chitosan and functionalized graphene sheets with carboxylization (COOH-), amination (NH 2 -), and hydroxylation (OH-) groups were systematically studied at the electronic level using the method of ab initio simulations based on quantum mechanics theory and the observations were compared with reported experimental results. The covalent linkages between COOH-modified graphene and the chitosan units were demonstrated and the combination of multi-functionalization on graphene could regulate the interfacial interactions between graphene and the chitosan. The interfacial interactions between chitosan and properly functionalized graphene are critical for the preparation of G–C-based composites for tissue engineering scaffolds and other applications.

Interfacial reactions in the Sb–Sn/(Cu, Ni) systems: Wetting experiments

International Nuclear Information System (INIS)

Novakovic, R.; Lanata, T.; Delsante, S.; Borzone, G.

2012-01-01

Interfacial reactions in the Sb–Sn/Cu and Sb–Sn/Ni systems have been investigated by means of wetting experiments. The wetting behaviour of two lead-free alloys, namely, Sb 2.5 Sn 97.5 and Sb 14.5 Sn 85.5 (at.%), in contact with Cu and Ni-substrates has been studied in view of possible applications as high-temperature solders in the electronics industry. The contact angle measurements on Cu and Ni plates were performed by using a sessile drop apparatus. The solder/substrate interface was characterised by the SEM-EDS analyses. -- Highlights: ► Sb–Sn alloys are used as high temperature lead-free solders. ► Sb–Sn alloys have good wetting properties on Cu and Ni substrates. ► Interfacial reactions and products are important for joint properties. ► Interfacial reactions/products data can be used to study the phase diagrams.

Enhancement of magnetoresistance by inserting thin NiAl layers at the interfaces in Co{sub 2}FeGa{sub 0.5}Ge{sub 0.5}/Ag/Co{sub 2}FeGa{sub 0.5}Ge{sub 0.5} current-perpendicular-to-plane pseudo spin valves

Energy Technology Data Exchange (ETDEWEB)

Jung, J. W.; Sakuraba, Y., E-mail: Sakuraba.Yuya@nims.go.jp; Sasaki, T. T.; Hono, K. [National Institute for Materials Science (NIMS), Sengen 1-2-1, Tsukuba, Ibaraki 305-0047 (Japan); Miura, Y. [National Institute for Materials Science (NIMS), Sengen 1-2-1, Tsukuba, Ibaraki 305-0047 (Japan); Kyoto Institute of Technology, Electrical Engineering and Electronics, Kyoto 606-8585 (Japan)

2016-03-07

We have investigated the effects of insertion of a thin NiAl layer (≤0.63 nm) into a Co{sub 2}FeGa{sub 0.5}Ge{sub 0.5} (CFGG)/Ag interface on the magnetoresistive properties in CFGG/Ag/CFGG current-perpendicular-to-plane giant magnetoresistance (CPP-GMR) pseudo spin valves (PSVs). First-principles calculations of ballistic transmittance clarified that the interfacial band matching at the (001)-oriented NiAl/CFGG interface is better than that at the (001)-Ag/CFGG interface. The insertion of 0.21-nm-thick NiAl layers at the Co{sub 2}FeGa{sub 0.5}Ge{sub 0.5}/Ag interfaces effectively improved the magnetoresistance (MR) output; the observed average and the highest MR ratio (ΔRA) are 62% (25 mΩ μm{sup 2}) and 77% (31 mΩ μm{sup 2}) at room temperature, respectively, which are much higher than those without NiAl insertion. Microstructural analysis using scanning transmission electron microscopy confirmed the existence of thin NiAl layers at the Ag interfaces with only modest interdiffusion even after annealing at 550 °C. The improvement of the interfacial spin-dependent scattering by very thin NiAl insertion can be a predominant reason for the enhancement of the MR output.

Magnetic properties, domain-wall creep motion, and the Dzyaloshinskii-Moriya interaction in Pt/Co/Ir thin films

Science.gov (United States)

Shepley, Philippa M.; Tunnicliffe, Harry; Shahbazi, Kowsar; Burnell, Gavin; Moore, Thomas A.

2018-04-01

We study the magnetic properties of perpendicularly magnetized Pt/Co/Ir thin films and investigate the domain-wall creep method of determining the interfacial Dzyaloshinskii-Moriya (DM) interaction in ultrathin films. Measurements of the Co layer thickness dependence of saturation magnetization, perpendicular magnetic anisotropy, and symmetric and antisymmetric (i.e., DM) exchange energies in Pt/Co/Ir thin films have been made to determine the relationship between these properties. We discuss the measurement of the DM interaction by the expansion of a reverse domain in the domain-wall creep regime. We show how the creep parameters behave as a function of in-plane bias field and discuss the effects of domain-wall roughness on the measurement of the DM interaction by domain expansion. Whereas modifications to the creep law with DM field and in-plane bias fields have taken into account changes in the energy barrier scaling parameter α , we find that both α and the velocity scaling parameter v0 change as a function of in-plane bias field.

Dependences on RE of superconducting properties of transition metal co-doped (Ca, RE)FeAs_2 with RE = La–Gd

International Nuclear Information System (INIS)

Yakita, H.; Ogino, H.; Sala, A.; Okada, T.; Yamamoto, A.; Kishio, K.; Iyo, A.; Eisaki, H.; Shimoyama, J.

2015-01-01

Highlights: • We synthesized Co or Ni co-doped (Ca, RE)FeAs_2 with RE = La–Gd. • Co or Ni co-doping improved superconducting properties of all (Ca, RE)FeAs_2 samples. • T_c of (Ca, RE)FeAs_2 decreased with decreasing ionic radii of RE"3"+. • Eu doped samples showed exceptionally low T_c and long interlayer distance. • Long interlayer distance of Eu doped samples suggested co-existence of Eu"2"+ and Eu"3"+. - Abstract: Dependence of superconducting properties of (Ca, RE)(Fe, TM)As_2 [(Ca, RE)112, TM: Co, Ni)] on RE elements (RE = La–Gd) was systematically investigated. Improvement of superconducting properties by Co or Ni co-doping was observed for all (Ca, RE)112, which is similar to Co-co-doped (Ca, La)112 or (Ca, Pr)112. T_c of Co-co-doped samples decreased from 38 K for RE = La to 29 K for RE = Gd with decreasing ionic radii of RE"3"+. However, Co-co-doped (Ca, Eu)112 showed exceptionally low T_c = 21 K probably due to the co-existence of Eu"3"+ and Eu"2"+ suggested by longer interlayer distance d_F_e_–_F_e of (Ca, Eu)112 than other (Ca, RE)112.

Interface properties of bilayer structure Alq{sub 3}/Fe{sub 65}Co{sub 35}

Energy Technology Data Exchange (ETDEWEB)

Wang, Zhen, E-mail: wangzhen@chd.edu.cn [Department of Applied Physics, Chang’an University, Xi’an 710064 (China); Xu, Chunlong; Wang, Jinguo; Chang, Qiaoli [Department of Applied Physics, Chang’an University, Xi’an 710064 (China); Zuo, Yalu; Xi, Li [Key Laboratory for Magnetism and Magnetic Materials of Ministry of Education, Lanzhou University, Lanzhou 730000 (China)

2015-04-01

Highlights: • Bilayer structure of Alq{sub 3}/FeCo was fabricated in a dual ultra high vacuum chamber. • Organic layer reacts partially with the FeCo film. • Electronic injection barrier is 0.76 eV in the interface. • The induced uniaxial anisotropy appears in Alq{sub 3}/FeCo. - Abstract: The interface between the organic and magnetic electrodes is a fundamental problem in organic spintronics devices. Therefore, bilayer structure of Alq{sub 3}/FeCo was fabricated in a dual ultra high vacuum chamber. The electronic structure of Alq{sub 3}–FeCo interface has been studied by X-ray photoelectron spectroscopy and ultraviolet photoelectron spectroscopy with Argon ion etching technique. It was found that organic layer reacts partially with the FeCo film, forming complex binding of metallic carbide and/or oxidation state in the interfacial region. Electronic injection barrier is 0.76 eV in the interface. The structural variation of the contact region is proposed to be one of the possible factors resulting in spin-injection failure. The magnetic properties of FeCo film with different thicknesses on glass substrate and Alq{sub 3} layer are also investigated. The induced uniaxial anisotropy only presents in 3 nm FeCo thickness for glass/FeCo, while it appears in 3–5 nm FeCo for Alq{sub 3}/FeCo.

Crystal structure and magnetic properties of Mn substituted ludwigite Co 3O 2BO 3

Science.gov (United States)

Knyazev, Yu. V.; Ivanova, N. B.; Kazak, N. V.; Platunov, M. S.; Bezmaternykh, L. N.; Velikanov, D. А.; Vasiliev, А. D.; Ovchinnikov, S. G.; Yurkin, G. Yu.

2012-03-01

The needle shape single crystals Co3-x MnxO2BO3 with ludwigite structure have been prepared. According to the X-ray diffraction data the preferable character of distinct crystallographic positions occupation by Mn ions is established. Magnetization field and temperature dependencies are measured. Paramagnetic Curie temperature value Θ=-100 K points out the predominance of antiferromagnetic interactions. Spin-glass magnetic ordering takes the onset at TN=41 K. The crystallographic and magnetic properties of Co3O2BO3:Mn are compared with the same for the isostructural analogs Co3O2BO3 and CoO2BO3:Fe.

Effect of Atmospheric Ions on Interfacial Water

Directory of Open Access Journals (Sweden)

Chien-Chang Kurt Kung

2014-11-01

Full Text Available The effect of atmospheric positivity on the electrical properties of interfacial water was explored. Interfacial, or exclusion zone (EZ water was created in the standard way, next to a sheet of Nafion placed horizontally at the bottom of a water-filled chamber. Positive atmospheric ions were created from a high voltage source placed above the chamber. Electrical potential distribution in the interfacial water was measured using microelectrodes. We found that beyond a threshold, the positive ions diminished the magnitude of the negative electrical potential in the interfacial water, sometimes even turning it to positive. Additionally, positive ions produced by an air conditioner were observed to generate similar effects; i.e., the electrical potential shifted in the positive direction but returned to negative when the air conditioner stopped blowing. Sometimes, the effect of the positive ions from the air conditioner was strong enough to destroy the structure of interfacial water by turning the potential decidedly positive. Thus, positive air ions can compromise interfacial water negativity and may explain the known negative impact of positive ions on health.

Engineering High-Energy Interfacial Structures for High-Performance Oxygen-Involving Electrocatalysis.

Science.gov (United States)

Guo, Chunxian; Zheng, Yao; Ran, Jingrun; Xie, Fangxi; Jaroniec, Mietek; Qiao, Shi-Zhang

2017-07-10

Engineering high-energy interfacial structures for high-performance electrocatalysis is achieved by chemical coupling of active CoO nanoclusters and high-index facet Mn 3 O 4 nano-octahedrons (hi-Mn 3 O 4 ). A thorough characterization, including synchrotron-based near edge X-ray absorption fine structure, reveals that strong interactions between both components promote the formation of high-energy interfacial Mn-O-Co species and high oxidation state CoO, from which electrons are drawn by Mn III -O present in hi-Mn 3 O 4 . The CoO/hi-Mn 3 O 4 demonstrates an excellent catalytic performance over the conventional metal oxide-based electrocatalysts, which is reflected by 1.2 times higher oxygen evolution reaction (OER) activity than that of Ru/C and a comparable oxygen reduction reaction (ORR) activity to that of Pt/C as well as a better stability than that of Ru/C (95 % vs. 81 % retained OER activity) and Pt/C (92 % vs. 78 % retained ORR activity after 10 h running) in alkaline electrolyte. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Thermal stability, swelling behavior and CO 2 absorption properties of Nanoscale Ionic Materials (NIMs)

KAUST Repository

Andrew Lin, Kun-Yi

2014-11-11

© The Royal Society of Chemistry 2015. Nanoscale Ionic Materials (NIMs) consist of a nanoscale core, a corona of charged brushes tethered on the surface of the core, and a canopy of the oppositely charged species linked to the corona. Unlike conventional polymeric nanocomposites, NIMs can display liquid-like behavior in the absence of solvents, have a negligible vapor pressure and exhibit unique solvation properties. These features enable NIMs to be a promising CO2 capture material. To optimize NIMs for CO2 capture, their structure-property relationships were examined by investigating the roles of the canopy and the core in their thermal stability, and thermally- and CO2-induced swelling behaviors. NIMs with different canopy sizes and core fractions were synthesized and their thermal stability as well as thermally- and CO2-induced swelling behaviors were determined using thermogravimetry, and ATR FT-IR and Raman spectroscopies. It was found that the ionic bonds between the canopy and the corona, as well as covalent bonds between the corona and the core significantly improved the thermal stability compared to pure polymer and polymer/nanofiller mixtures. A smaller canopy size and a larger core fraction led to a greater enhancement in thermal stability. This thermal stability enhancement was responsible for the long-term thermal stability of NIMs over 100 temperature swing cycles. Owing to their ordered structure, NIMs swelled less when heated or when they adsorbed CO2 compared to their corresponding polymers. This journal is

Thermal stability, swelling behavior and CO 2 absorption properties of Nanoscale Ionic Materials (NIMs)

KAUST Repository

Andrew Lin, Kun-Yi; Park, Youngjune; Petit, Camille; Park, Ah-Hyung Alissa

2014-01-01

© The Royal Society of Chemistry 2015. Nanoscale Ionic Materials (NIMs) consist of a nanoscale core, a corona of charged brushes tethered on the surface of the core, and a canopy of the oppositely charged species linked to the corona. Unlike conventional polymeric nanocomposites, NIMs can display liquid-like behavior in the absence of solvents, have a negligible vapor pressure and exhibit unique solvation properties. These features enable NIMs to be a promising CO2 capture material. To optimize NIMs for CO2 capture, their structure-property relationships were examined by investigating the roles of the canopy and the core in their thermal stability, and thermally- and CO2-induced swelling behaviors. NIMs with different canopy sizes and core fractions were synthesized and their thermal stability as well as thermally- and CO2-induced swelling behaviors were determined using thermogravimetry, and ATR FT-IR and Raman spectroscopies. It was found that the ionic bonds between the canopy and the corona, as well as covalent bonds between the corona and the core significantly improved the thermal stability compared to pure polymer and polymer/nanofiller mixtures. A smaller canopy size and a larger core fraction led to a greater enhancement in thermal stability. This thermal stability enhancement was responsible for the long-term thermal stability of NIMs over 100 temperature swing cycles. Owing to their ordered structure, NIMs swelled less when heated or when they adsorbed CO2 compared to their corresponding polymers. This journal is

Formation of interfacial network structure via photo-crosslinking in carbon fiber/epoxy composites

Directory of Open Access Journals (Sweden)

S. H. Deng

2014-07-01

Full Text Available A series of diblock copolymers (poly(n-butylacrylate-co-poly(2-hydroxyethyl acrylate-b-poly(glycidyl methacrylate ((PnBA-co-PHEA-b-PGMA, containing a random copolymer block PnBA-co-PHEA, were successfully synthesized by atom transfer radical polymerization (ATRP. After being chemically grafted onto carbon fibers, the photosensitive methacrylic groups were introduced into the random copolymer, giving a series of copolymers (poly(n-butylacrylate-co-poly(2-methacryloyloxyethyl acrylate-b-poly(glycidyl methacrylate((PnBA-co-PMEA-b-PGMA. Dynamic mechanical analysis indicated that the random copolymer block after ultraviolet (UV irradiation was a lightly crosslinked polymer and acted as an elastomer, forming a photo-crosslinked network structure at the interface of carbon fiber/epoxy composites. Microbond test showed that such an interfacial network structure greatly improved the cohesive strength and effectively controlled the deformation ability of the flexible interlayer. Furthermore, three kinds of interfacial network structures, i physical crosslinking by H-bonds, ii chemical crosslinking by photopolymerization, and iii interpenetrating crosslinked network by photopolymerization and epoxy curing reaction were received in carbon fiber/epoxy composite, depending on the various preparation processes.

Fabrication, interfacial characterization and mechanical properties of continuous Al{sub 2}O{sub 3} ceramic fiber reinforced Ti/Al{sub 3}Ti metal-intermetallic laminated (CCFR-MIL) composite

Energy Technology Data Exchange (ETDEWEB)

Han, Yuqiang; Lin, Chunfa; Han, Xiaoxiao; Chang, Yunpeng; Guo, Chunhuan, E-mail: guochunhuan@hrbeu.edu.cn; Jiang, Fengchun, E-mail: fengchunjiang@hrbeu.edu.cn

2017-03-14

Continuous Al{sub 2}O{sub 3} ceramic fiber reinforced Ti/Al{sub 3}Ti metal-intermetallic laminated (CCFR-MIL) composite was fabricated using a vacuum hot pressing (VHP) sintering method and followed by hot isostatic pressing (HIP). The microstructure characteristics of the interfaces between Ti and Al{sub 3}Ti, as well as Al{sub 2}O{sub 3} fiber and Al{sub 3}Ti intermetallic were analyzed by scanning electron microscopy (SEM). Elemental distribution in the interfacial reaction zones were quantitatively examined by energy-dispersive spectroscopy (EDS). The phases in the composite were identified by X-ray diffractometer (XRD). The mechanical properties of the CCFR-MIL composite were measured using compression and tensile tests under quasi-static strain rate. The experimental results indicated that the residual Al was found in Al{sub 3}Ti intermetallic layer of CCFR-MIL composite. The interfacial reactions occurred during HIP and the reaction products were determined to be Al{sub 2}Ti, TiSi{sub 2}, TiO{sub 2} and Al{sub 2}SiO{sub 5} phases. Compared to Ti/Al{sub 3}Ti MIL composite without fiber reinforcement, both the strength and failure strain of CCFR-MIL composite under both compressive and tensile stress states increased due to the contribution of the continuous ceramic Al{sub 2}O{sub 3} fiber.

Engineering Interfacial Energetics: A Novel Hybrid System of Metal Oxide Quantum Dots and Cobalt Complex for Photocatalytic Water Oxidation

International Nuclear Information System (INIS)

Niu, Fujun; Shen, Shaohua; Wang, Jian; Guo, Liejin

2016-01-01

Graphical abstract: A cobalt complex engineers the interfacial energetics of metal oxide quantum dots (n- or p-type) and electrolytes for highly efficient O_2 generation under visible light irradiation. - Highlights: • A noble-metal-free hybrid photocatalytic system using a single-site cobalt catalyst was developed for O_2 generation. • Considerable activity and excellent stability for O_2 production were achieved by this novel system. • CoSlp engineered the QDs/electrolyte interfacical energetics for efficient hole transfer. - Abstract: Here we reported a novel hybrid photocatalytic water oxidation system, containing metal oxide (n-Fe_2O_3 or p-Co_3O_4) quantum dots (QDs) as light harvester, a salophen cobalt(II) complex (CoSlp) as redox catalyst and persulfate (S_2O_8"2"−) as sacrificial electron acceptor, for oxygen generation from fully aqueous solution. The n-Fe_2O_3 QDs/CoSlp and p-Co_3O_4 QDs/CoSlp systems exhibited good O_2 evolution performances, giving turnover numbers (TONs) of ca. 33 and ca. 35 over CoSlp after visible light irradiation for 72 h, respectively. The excellent photocatalytic performance could be ascribed to the efficient hole transfer from QDs to CoSlp catalyst, leading to reduced photogenerated charge recombination, as well as the CoSlp engineered interfacial band bending of QDs, increasing the driving force or decreasing the energy barrier for hole transfer and then benefiting the following O_2 generation at the QDs/electrolyte interface. The present work successfully demonstrated a novel hybrid system for photocatalytic O_2 evolution from fully aqueous solution; and the essential role of cobalt complexes in engineering the interfacial energetics of semiconductors (n- or p-type) and electrolytes could be informative for designing efficient systems for solar water splitting.

The effect of selected supercritical CO2 plant extract addition on user properties of shower gels

Directory of Open Access Journals (Sweden)

Vogt Otmar

2014-12-01

Full Text Available The formulations of washing cosmetics i.e. shower gels, containing extracts obtained during supercritical CO2 extraction process as active ingredient, were developed. The subject of the study was the analysis of the physicochemical and user properties of the obtained products. In the work supercritical CO2 extracts of black currant seeds, strawberry seeds, hop cones and mint leafs were used. The formulation contains a mixture of surfactants (disodium cocoamphodiacetate, disodium laureth sulfosuccinate, cocoamide DEA, cocoamidepropyl betaine, Sodium Laureth Sulfate. Various thickener agents were applied to the obtained desired rheological properties of the cosmetics. Among others, sorbitol acetal derivatives, methylhydroxypropylcellulose and C10-30 alkyl acrylate crosspolymer were used. For stable products, the effect of extracts addition (black currants seeds, strawberries seeds, mint and hops, obtained from supercritical CO2 extraction process on the cosmetics properties, such as pH, viscosity, detergency and foam ability, were determined. The obtained results showed that the extracts could be used as components of shower gels.

Quantitative analysis of liquid penetration kinetics and slaking of aggregates as related to solid-liquid interfacial properties

Science.gov (United States)

Goebel, Marc-O.; Woche, Susanne K.; Bachmann, Jörg

2012-06-01

SummaryAggregate stability is frequently shown to be enhanced by strong soil water repellency, however, there is limited systematic evidence on this effect for moderately (subcritically) water repellent soils. This study aimed to investigate the specific effects of interfacial properties on the liquid penetration kinetics in relation to the stability of subcritically water repellent aggregates (4-6.3 mm) from various arable and forest soils against breakdown by slaking. In contrast to many other studies, where aggregate stability was determined by wet sieving, we here assessed the stability by immersion of air-dry aggregates in water-ethanol solutions with surface tensions ranging from 30 to 70 mN m-1. This approach allowed a highly sensitive discrimination of different stability levels and the determination of breakdown kinetics also for less stable aggregates. Interfacial properties were characterized in terms of contact angle measured on crushed aggregates, θc, and calculated for intact aggregates, θi, based on infiltration measurements with water and ethanol. Aggregate stability turned out to be higher in forest soils compared to arable soils with topsoil aggregates generally found to be more stable than subsoil aggregates. For water repellent aggregates, characterized by contact angles >40° and low water infiltration rates (aggregates after 30 s of immersion was generally below 10%, whereas in case of the more wettable aggregates, characterized by contact angles 0.25 mm3 s-0.5) more than 80% of the aggregates were disrupted. In accordance, we found a close relationship between aggregate stability and wettability with differences between θc and θi being generally small. In addition, aggregate stability turned out to be related to organic carbon content. However, correlation analysis revealed that both persistence of aggregate stability and kinetics of aggregate breakdown were more strongly affected by the contact angle, θc (r = 0.90 and r = -0

Origin of interfacial perpendicular magnetic anisotropy in MgO/CoFe/metallic capping layer structures.

Science.gov (United States)

Peng, Shouzhong; Wang, Mengxing; Yang, Hongxin; Zeng, Lang; Nan, Jiang; Zhou, Jiaqi; Zhang, Youguang; Hallal, Ali; Chshiev, Mairbek; Wang, Kang L; Zhang, Qianfan; Zhao, Weisheng

2015-12-11

Spin-transfer-torque magnetic random access memory (STT-MRAM) attracts extensive attentions due to its non-volatility, high density and low power consumption. The core device in STT-MRAM is CoFeB/MgO-based magnetic tunnel junction (MTJ), which possesses a high tunnel magnetoresistance ratio as well as a large value of perpendicular magnetic anisotropy (PMA). It has been experimentally proven that a capping layer coating on CoFeB layer is essential to obtain a strong PMA. However, the physical mechanism of such effect remains unclear. In this paper, we investigate the origin of the PMA in MgO/CoFe/metallic capping layer structures by using a first-principles computation scheme. The trend of PMA variation with different capping materials agrees well with experimental results. We find that interfacial PMA in the three-layer structures comes from both the MgO/CoFe and CoFe/capping layer interfaces, which can be analyzed separately. Furthermore, the PMAs in the CoFe/capping layer interfaces are analyzed through resolving the magnetic anisotropy energy by layer and orbital. The variation of PMA with different capping materials is attributed to the different hybridizations of both d and p orbitals via spin-orbit coupling. This work can significantly benefit the research and development of nanoscale STT-MRAM.

Radiation-induced synthesis and swelling properties of p(2-hydroxyethyl methacrylate-co-itaconic acid-co-oligo(ethylene glycol) acrylate) copolymeric hydrogels

International Nuclear Information System (INIS)

Micic, M.; Suljovrujic, E.

2011-01-01

Complete text of publication follows. Since it is presumed that by incorporation of pH-responsive (IA) and temperature-responsive (OEGA) co-monomers it is possible to prepare P(HEMA-co-IA-co-OEGA) hydrogels with duel (pH and thermo) responsiveness, the main purpose of this paper is to investigate the influence of different mole fractions of IA and especially OEGA on the diversity of the swelling properties of obtained hydrogels. For that reason, a series of copolymeric hydrogels with different mole ratios of 2-hydroxyethyl methacrylate (HEMA), itaconic acid (IA) and oligo(ethylene glycol) acrylates (OEGA) was synthesized by gamma radiation. The obtained hydrogels were characterized by swelling studies in the wide pH (2.2-9.0) and temperature range (25-70 deg C), confirming dual (pH and thermo) responsiveness and a large variation in swelling capability. It was observed that the equilibrium swelling of P(HEMA-co-IA-co-OEGA) hydrogels, for a constant amount of IA, increases progressively with increasing in OEGA share. On the other hand, the dissociation of carboxyl (-COOH) groups from IA occurs at pH > 4; therefore, small mole fractions of IA render good pH sensitivity and a large increase in the swelling capacity of these hydrogels at higher pH values. Additional characterization of structure and properties was conducted by Fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy (SEM) and mechanical measurements, confirming that the inherent properties of the P(HEMA-co-IA-co-OEGA) hydrogels can be significantly tuned by variation in their composition. According to all presented, it seems that the obtained copolymeric hydrogels can be a beneficial synergetic combination for controlled delivery of bioactive molecules such as drugs, nucleic acids, peptides, and proteins.

Interfacial (o/w) properties of naphthetic acids and metal naphthenates, naphtenic acid characterization and metal naphthenate inhibition

Energy Technology Data Exchange (ETDEWEB)

Brandal, Oeystein

2005-07-01

Deposition of metal naphthenates in process facilities is becoming a huge problem for petroleum companies producing highly acidic crudes. In this thesis, the main focus has been towards the oil-water (o/w) interfacial properties of naphthenic acids and their ability to react with different divalent cations across the interface to form metal naphthenates. The pendant drop technique was utilized to determine dynamic interfacial tensions (IFT) between model oil containing naphthenic acid, synthetic as well as indigenous acid mixtures, and pH adjusted water upon addition of different divalent cations. Changes in IFT caused by the divalent cations were correlated to reaction mechanisms by considering two reaction steps with subsequent binding of acid monomers to the divalent cation. The results were discussed in light of degree of cation hydration and naphthenic acid conformation, which affect the interfacial conditions and thus the rate of formation of 2:1 complexes of acid and cations. Moreover, addition of non-ionic oil-soluble surfactants used as basis compounds in naphthenate inhibitors was found to hinder a completion of the reaction through interfacial dilution of the acid monomers. Formation and stability of metal naphthenate films at o/w interfaces were studied by means of Langmuir technique with a trough designed for liquid-liquid systems. The effects of different naphthenic acids, divalent cations, and pH of the subphase were investigated. The results were correlated to acid structure, cation hydration, and degree of dissociation, which all affect the film stability against compression. Naphthenic acids acquired from a metal naphthenate deposit were characterized by different spectroscopic techniques. The sample was found to consist of a narrow family of 4-protic naphthenic acids with molecular weights around 1230 g/mol. These acids were found to be very o/w interfacially active compared to normal crude acids, and to form Langmuir monolayers with stability

Using maleic anhydride functionalized graphene oxide for improving the interfacial properties of carbon fiber/BMI composites

Directory of Open Access Journals (Sweden)

W. Li

2016-11-01

Full Text Available Maleic anhydride functionalized graphene oxide (MAH-GO was synthesized and then introduced into carbon fiber (CF reinforced bismaleimide (BMI composites, with the aim of improving the interfacial adhesion strength between CF and BMI resin. Various characterization techniques including Fourier transform infrared spectroscopy (FT-IR, X-ray photoelectron spectra (XPS and thermogravimetric analysis (TGA demonstrated that the maleic anhydride has been successfully grafted onto the GO surfaces. The study showed that the interlaminar shear strength (ILSS and flexural properties of CF/BMI composites were all improved by the incorporation of GO and MAH-GO, and the MAH-GO showed the substantially improved effect due to the strong interaction between the MAH-GO and the resin matrix. The maximum increment of the ILSS, flexural strength and flexural modulus of composites were 24.4, 28.7 and 49.7%, respectively. Scanning electron microscope (SEM photographs of the fracture surfaces revealed that the interfacial bonding between CF and resin matrix was significantly strengthened by the addition of MAH-GO. The results suggest that this feasible method may be an ideal substitute for the traditional method in the interfacial modification of composites.

Blends of ethylene-co-vinyl acetate and poly(3-hydroxybutyrate with adhesion property

Directory of Open Access Journals (Sweden)

A. de Lucas-Freile

2018-07-01

Full Text Available The structure and properties of ethylene-co-vinyl acetate (EVA and poly(3-hydroxybutyrate (PHB blends depended on their PHB content, i.e. PHB phase dominated the structure for amounts of PHB higher than 50 wt%, whereas EVA phase is dominant for PHB content lower than 50 wt%. EVA/PHB (70:30 blend showed unexpected different structure because of higher miscibility and the creation of new interfacial interactions between C=O and CH3 groups of PHB and CH3 and C=O groups of EVA, these interactions led changing of the phase structure of ethylene and vinyl acetate domains in EVA. As a consequence, improved thermal, viscoelastic and morphological properties were obtained. EVA+PHB blends containing 60 wt% or more PHB did not show tack and, interestingly, the addition of 20–30 wt% PHB enhanced the tack and displaced the maximum tack of pure EVA to lower temperature. The tack of EVA/PHB (70:30 blend was the highest among all blends because of its particular structure, fibrillation was also shown. Finally, the adhesion of EVA+PHB blends containing 20–30 wt% PHB to polypropylene (PP substrate was higher than the one of pure EVA because of the interactions between the ethylene domains in EVA phase of the blend and PP substrate surface.

Structural Characteristics and Magnetic Properties of Al2O3 Matrix-Based Co-Cermet Nanogranular Films

Directory of Open Access Journals (Sweden)

Giap Van Cuong

2015-01-01

Full Text Available Magnetic micro- and nanogranular materials prepared by different methods have been used widely in studies of magnetooptical response. However, among them there seems to be nothing about magnetic nanogranular thin films prepared by a rf cosputtering technique for both metals and insulators till now. This paper presented and discussed preparation, structural characteristics, and magnetic properties of alumina (Al2O3 matrix-based granular Co-cermet thin films deposited by means of the cosputtering technique for both Co and Al2O3. By varying the ferromagnetic (Co atomic fraction, x, from 0.04 to 0.63, several dominant features of deposition for these thin films were shown. Structural characteristics by X-ray diffraction confirmed a cermet-type structure for these films. Furthermore, magnetic behaviours presented a transition from paramagnetic- to superparamagnetic- and then to ferromagnetic-like properties, indicating agglomeration and growth following Co components of Co clusters or nanoparticles. These results show a typical granular Co-cermet feature for the Co-Al2O3 thin films prepared, in which Co magnetic nanogranules are dispersed in a ceramic matrix. Such nanomaterials can be applied suitably for our investigations in future on the magnetooptical responses of spinplasmonics.

Influence of pH and fuels on the combustion synthesis, structural, morphological, electrical and magnetic properties of CoFe{sub 2}O{sub 4} nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Shanmugavani, A. [Solid State Ionics and Energy Devices Laboratory, Department of Physics, Bharathiar University, Coimbatore 641 046 (India); Selvan, R.Kalai, E-mail: selvankram@buc.edu.in [Solid State Ionics and Energy Devices Laboratory, Department of Physics, Bharathiar University, Coimbatore 641 046 (India); Layek, Samar [Department of Physics, Indian Institute of Technology, Kanpur 208016 (India); Vasylechko, Leonid [Semiconductor Electronics Department, Lviv Polytechnic National University, 12 Bandera Street, Lviv 79013 (Ukraine); Sanjeeviraja, C. [Department of Physics, Alagappa Chettiar College of Engineering and Technology, Karaikudi 630 004 (India)

2015-11-15

Nanocrystalline spinel cobalt ferrite particles are synthesized by simple combustion method using aspartic acid and glycine as fuels. The single phase cubic structure of CoFe{sub 2}O{sub 4} is revealed through X-ray diffraction analysis (XRD). Further the Rietveld refinement confirms the formation of inverse spinel structure of CoFe{sub 2}O{sub 4}. The characteristic functional groups of Co–O and Fe–O are identified from Fourier Transform Infrared (FT-IR) analysis. Uniform distribution of of nearly spherical particles with the size range of 40–80 nm is identified through field emission scanning electron microscope (FESEM) images. The calculated DC conductivity is 1.469 × 10{sup −7} and 2.214 × 10{sup −8} S cm{sup −1}, for CoFe{sub 2}O{sub 4} synthesized using aspartic acid and glycine, respectively. The dielectric behavior obeys the Maxwell–Wagner interfacial polarization. The ferromagnetic behavior of CoFe{sub 2}O{sub 4} is identified using VSM analysis and the calculated coercivity is 27 Oe and saturation magnetization is 68 emu/g.

Biological Properties of Fucoxanthin in Oil Recovered from Two Brown Seaweeds Using Supercritical CO2 Extraction

Directory of Open Access Journals (Sweden)

Saravana Periaswamy Sivagnanam

2015-05-01

Full Text Available The bioactive materials in brown seaweeds hold great interest for developing new drugs and healthy foods. The oil content in brown seaweeds (Saccharina japonica and Sargassum horneri was extracted by using environmentally friendly supercritical CO2 (SC-CO2 with ethanol as a co-solvent in a semi-batch flow extraction process and compared the results with a conventional extraction process using hexane, ethanol, and acetone mixed with methanol (1:1, v/v. The SC-CO2 method was used at a temperature of 45 °C and pressure of 250 bar. The flow rate of CO2 (27 g/min was constant for the entire extraction period of 2 h. The obtained oil from the brown seaweeds was analyzed to determine their valuable compounds such as fatty acids, phenolic compounds, fucoxanthin and biological properties including antioxidant, antimicrobial, and antihypertension effects. The amounts of fucoxanthin extracted from the SC-CO2 oils of S. japonica and S. horneri were 0.41 ± 0.05 and 0.77 ± 0.07 mg/g, respectively. High antihypertensive activity was detected when using mixed acetone and methanol, whereas the phenolic content and antioxidant property were higher in the oil extracted by SC-CO2. The acetone–methanol mix extracts exhibited better antimicrobial activities than those obtained by other means. Thus, the SC-CO2 extraction process appears to be a good method for obtaining valuable compounds from both brown seaweeds, and showed stronger biological activity than that obtained by the conventional extraction process.

Biological Properties of Fucoxanthin in Oil Recovered from Two Brown Seaweeds Using Supercritical CO2 Extraction.

Science.gov (United States)

Sivagnanam, Saravana Periaswamy; Yin, Shipeng; Choi, Jae Hyung; Park, Yong Beom; Woo, Hee Chul; Chun, Byung Soo

2015-05-29

The bioactive materials in brown seaweeds hold great interest for developing new drugs and healthy foods. The oil content in brown seaweeds (Saccharina japonica and Sargassum horneri) was extracted by using environmentally friendly supercritical CO2 (SC-CO2) with ethanol as a co-solvent in a semi-batch flow extraction process and compared the results with a conventional extraction process using hexane, ethanol, and acetone mixed with methanol (1:1, v/v). The SC-CO2 method was used at a temperature of 45 °C and pressure of 250 bar. The flow rate of CO2 (27 g/min) was constant for the entire extraction period of 2 h. The obtained oil from the brown seaweeds was analyzed to determine their valuable compounds such as fatty acids, phenolic compounds, fucoxanthin and biological properties including antioxidant, antimicrobial, and antihypertension effects. The amounts of fucoxanthin extracted from the SC-CO2 oils of S. japonica and S. horneri were 0.41 ± 0.05 and 0.77 ± 0.07 mg/g, respectively. High antihypertensive activity was detected when using mixed acetone and methanol, whereas the phenolic content and antioxidant property were higher in the oil extracted by SC-CO2. The acetone-methanol mix extracts exhibited better antimicrobial activities than those obtained by other means. Thus, the SC-CO2 extraction process appears to be a good method for obtaining valuable compounds from both brown seaweeds, and showed stronger biological activity than that obtained by the conventional extraction process.

Rapid synthesis of Co, Ni co-doped ZnO nanoparticles: Optical and electrochemical properties

Energy Technology Data Exchange (ETDEWEB)

Romeiro, Fernanda C.; Marinho, Juliane Z.; Lemos, Samantha C.S. [Instituto de Química, Universidade Federal de Uberlândia, 38400-902 Uberlândia, MG (Brazil); Moura, Ana P. de [LIEC, Instituto de Química, Universidade Estadual Paulista, 14800-900 Araraquara, SP (Brazil); Freire, Poliana G. [Instituto de Química, Universidade Federal de Uberlândia, 38400-902 Uberlândia, MG (Brazil); Silva, Luis F. da; Longo, Elson [LIEC, Instituto de Química, Universidade Estadual Paulista, 14800-900 Araraquara, SP (Brazil); Munoz, Rodrigo A.A. [Instituto de Química, Universidade Federal de Uberlândia, 38400-902 Uberlândia, MG (Brazil); Lima, Renata C., E-mail: rclima@iqufu.ufu.br [Instituto de Química, Universidade Federal de Uberlândia, 38400-902 Uberlândia, MG (Brazil)

2015-10-15

We report for the first time a rapid preparation of Zn{sub 1−2x}Co{sub x}Ni{sub x}O nanoparticles via a versatile and environmentally friendly route, microwave-assisted hydrothermal (MAH) method. The Co, Ni co-doped ZnO nanoparticles present an effect on photoluminescence and electrochemical properties, exhibiting excellent electrocatalytic performance compared to undoped ZnO sample. Photoluminescence spectroscopy measurements indicated the reduction of the green–orange–red visible emission region after adding Co and Ni ions, revealing the formation of alternative pathways for the generated recombination. The presence of these metallic ions into ZnO creates different defects, contributing to a local structural disorder, as revealed by Raman spectra. Electrochemical experiments revealed that the electrocatalytic oxidation of dopamine on ZnO attached to multi-walled carbon nanotubes improved significantly in the Co, Ni co-doped ZnO samples when compared to pure ZnO. - Graphical abstract: Rapid synthesis of Co, Ni co-doped ZnO nanoparticles: optical and electrochemical properties. Co, Ni co-doped ZnO hexagonal nanoparticles with optical and electrocatalytic properties were successfully prepared for the first time using a microwave hydrothermal method at mild conditions. - Highlights: • Co{sup 2+} and Ni{sup 2+} into ZnO lattice obtained a mild and environmentally friendly process. • The heating method strongly influences in the growth and shape of the particles. • Short-range defects generated by the ions insertion affects the photoluminescence. • Doped ZnO nanoparticles improve the electrocatalytic properties of pure oxide.

Interfacial effects on the electrical properties of multiferroic BiFeO3/Pt/Si thin film heterostructures

International Nuclear Information System (INIS)

Yakovlev, S.; Zekonyte, J.; Solterbeck, C.-H.; Es-Souni, M.

2005-01-01

Polycrystalline BiFeO 3 thin films of various thickness were fabricated on (111)Pt/Ti/SiO 2 /Si substrates via chemical solution deposition. The electrical properties were investigated using impedance and leakage current measurements. X-ray photoelectron spectroscopy (XPS) combined with Ar ion milling (depth profiling) was used to investigate elemental distribution near the electrode-film interface. It is shown that the dielectric constant depends on film thickness due to the presence of an interfacial film-electrode layer evidenced by XPS investigation. Direct current conductivity is found to be governed by Schottky and/or Poole-Frenkel mechanisms

Investigation of anti-corrosive properties of poly(aniline-co-2-pyridylamine-co-2,3-xylidine) and its nanocomposite poly(aniline-co-2-pyridylamine-co-2,3-xylidine)/ZnO on mild steel in 0.1 M HCl

Science.gov (United States)

Alam, Ruman; Mobin, Mohammad; Aslam, Jeenat

2016-04-01

A soluble terpolymer of aniline (AN), 2-pyridylamine (PA) and 2,3-xylidine (XY), poly(AN-co-PA-co-XY) and its nanocomposite with ZnO nanoparticles namely, poly(AN-co-PA-co-XY)/ZnO were synthesized by chemical oxidative polymerization employing ammonium persulfate as an oxidant. Nanocomposites of homopolymers, polyaniline/ZnO, poly(XY)/ZnO and poly(PA)/ZnO were also synthesized by following similar synthesis route. FTIR, XRD and SEM techniques were used to characterize the synthesized compounds. The synthesized compounds were chemically deposited on mild steel specimens by solvent evaporation method using N-methyl-2-pyrrolidone (NMP) as solvent and 10% epoxy resin (by weight) as binder. Anticorrosive properties of homopolymer nanocomposites, terpolymer and its nanocomposite coatings were studied in 0.1 M HCl by subjecting them to various corrosion tests which includes: free corrosion potential measurement (OCP), weight loss measurements, potentiodynamic polarization, and AC impedance technique. The surface morphology of the corroded and uncorroded coated steel specimens was evaluated using SEM. The corrosion protection performance of terpolymer nanocomposite coating was compared to the terpolymer and individual homopolymers nanocomposites coatings after 30 days immersion in corrosive medium.

Single fiber push-out characterization of interfacial mechanical properties in unidirectional CVI-C/SiC composites by the nano-indentation technique

Science.gov (United States)

Zhang, Lifeng; Ren, Chengzu; Zhou, Changling; Xu, Hongzhao; Jin, Xinmin

2015-12-01

The characterization of interfaces in woven ceramic matrix composites is one of the most challenging problems in composite application. In this investigation, a new model material consisting of the chemical vapor infiltration unidirectional C/SiC composites with PyC fiber coating were prepared and evaluated to predict the interfacial mechanic properties of woven composites. Single fiber push-out/push-back tests with the Berkovich indenter were conducted on the thin sliced specimens using nano-indentation technique. To give a detailed illustration of the interfacial crack propagation and failure mechanism, each sector during the push-out process was analyzed at length. The test results show that there is no detectable difference between testing a fiber in a direct vicinity to an already tested fiber and testing a fiber in vicinity to not-pushed fibers. Moreover, the interface debonding and fiber sliding mainly occur at the PyC coating, and both the fiber and surrounding matrix have no plastic deformation throughout the process. Obtained from the load-displacement curve, the interfacial debonding strength (IDS) and friction stress (IFS) amount to, respectively, 35 ± 5 MPa and 10 ± 1 MPa. Based on the findings, the interfacial properties with PyC fiber coating can be predicted. Furthermore, it is expected to provide a useful guideline for the design, evaluation and optimal application of CVI-C/SiC.

Interfacial and Electrical Properties of Ge MOS Capacitor by ZrLaON Passivation Layer and Fluorine Incorporation

Science.gov (United States)

Huang, Yong; Xu, Jing-Ping; Liu, Lu; Cheng, Zhi-Xiang; Lai, Pui-To; Tang, Wing-Man

2017-09-01

Ge Metal-Oxide-Semiconductor (MOS) capacitor with HfTiON/ZrLaON stacked gate dielectric and fluorine-plasma treatment is fabricated, and its interfacial and electrical properties are compared with its counterparts without the ZrLaON passivation layer or the fluorine-plasma treatment. Experimental results show that the sample exhibits excellent performances: low interface-state density (3.7×1011 cm-2eV-1), small flatband voltage (0.21 V), good capacitance-voltage behavior, small frequency dispersion and low gate leakage current (4.41×10-5 A/cm2 at Vg = Vfb + 1V). These should be attributed to the suppressed growth of unstable Ge oxides on the Ge surface during gate-dielectric annealing by the ZrLaON interlayer and fluorine incorporation, thus greatly reducing the defective states at/near the ZrLaON/Ge interface and improving the electrical properties of the device.

Study of electronic structure and magnetic properties of epitaxial Co{sub 2}FeAl Heusler Alloy Thin Films

Energy Technology Data Exchange (ETDEWEB)

Soni, S. [Department of Pure & Applied Physics, University of Kota, Kota 324007 (India); Dalela, S., E-mail: sdphysics@rediffmail.com [Department of Pure & Applied Physics, University of Kota, Kota 324007 (India); Sharma, S.S. [Department of Physics, Govt. Women Engineering College, Ajmer (India); Liu, E.K.; Wang, W.H.; Wu, G.H. [State Key Laboratory for Magnetism, Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Kumar, M. [Department of Physics, Malviya National Institute of Technology, Jaipur-302017 (India); Garg, K.B. [Department of Physics, University of Rajasthan, Jaipur-302004 (India)

2016-07-25

This work reports the magnetic and electronic characterization of plane magnetized buried Heusler Co{sub 2}FeAl nano thin films of different thickness by X-ray absorption spectroscopy (XAS) and X-ray magnetic circular dichroism (XMCD) measurements. . The spectra on both Fe- and Co L{sub 2,3} edges show a pronounced magnetic dichroic signal in remanence, corresponding to a ferromagnetically-aligned moments on Fe and Co atoms conditioning the peculiar characteristics of the Co{sub 2}FeAl Heusler compound (a half-metallic ferromagnet). The detailed knowledge of the related magnetic and electronic properties of these samples over a wide range of thickness of films are indispensable for achieving a higher tunnel magnetoresistance ratio, and thus for spintronics device applications. - Highlights: • Electronic structure and Magnetic Properties of Epitaxial Co{sub 2}FeAl Heusler Films. • X-ray absorption spectroscopy (XAS) and X-ray magnetic circular dichroism (XMCD). • Fe- and Co L{sub 2,3} edges show a pronounced magnetic dichroic signal in remanence. • Calculated Orbital, Spin and total magnetic moments of Fe and Co for 30 nm Co{sub 2}FeAl thin film. • The total magnetic moment of Fe at L{sub 2,3} edges increases with the thickness of the Co2FeAl films.

Interfacial structure of V2AlC thin films deposited on (112-bar 0)-sapphire

International Nuclear Information System (INIS)

Sigumonrong, Darwin P.; Zhang, Jie; Zhou, Yanchun; Music, Denis; Emmerlich, Jens; Mayer, Joachim; Schneider, Jochen M.

2011-01-01

Local epitaxy between V 2 AlC and sapphire without intentionally or spontaneously formed seed layers was observed by transmission electron microscopy. Our ab initio calculations suggest that the most stable interfacial structure is characterized by the stacking sequence ...C-V-Al-V//O-Al..., exhibiting the largest work of separation for the configurations studied and hence strong interfacial bonding. It is proposed that a small misfit accompanied by strong interfacial bonding enable the local epitaxial growth of V 2 AlC on (112-bar 0)-sapphire.

Structural, catalytic and magnetic properties of Cu{sub 1-X}Co{sub X}Fe{sub 2}O{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Briceno, Sarah, E-mail: sbriceno@ivic.gob.ve [Laboratorio de Fisica de la Materia Condensada, Centro de Fisica, Instituto Venezolano de Investigaciones Cientificas (IVIC), Apartado 20632, Caracas 1020-A (Venezuela, Bolivarian Republic of); Del Castillo, Hector [Laboratorio de Cinetica y Catalisis, Departamento de Quimica, Facultad de Ciencias, Universidad de Los Andes, Merida 5101-A (Venezuela, Bolivarian Republic of); Sagredo, V. [Laboratorio de Magnetismo, Departamento de Fisica, Facultad de Ciencias, Universidad de Los Andes, Merida 5101-A (Venezuela, Bolivarian Republic of); Bramer-Escamilla, Werner; Silva, Pedro [Laboratorio de Fisica de la Materia Condensada, Centro de Fisica, Instituto Venezolano de Investigaciones Cientificas (IVIC), Apartado 20632, Caracas 1020-A (Venezuela, Bolivarian Republic of)

2012-12-15

Highlights: Black-Right-Pointing-Pointer Cu{sub 1-X}Co{sub X}Fe{sub 2}O{sub 4} ferrite synthesized by sol-gel auto-combustion method. Black-Right-Pointing-Pointer Structural identification, magnetic and catalytic properties were investigated. Black-Right-Pointing-Pointer Characterization by TGA, DTA, XRD, SEM, TEM and VSM techniques. Black-Right-Pointing-Pointer Magnetic properties decrease with the increase of Cu{sup 2+} doping. Black-Right-Pointing-Pointer The selective conversion to N{sub 2} is higher for Cu-Co mixed ferrites. - Abstract: Copper substituted cobalt ferrite Cu{sub 1-X}Co{sub X}Fe{sub 2}O{sub 4} (0 {<=}x {<=} 1) have been synthesized using sol-gel auto combustion method with citric acid as fuel. Structural identification, magnetic and catalytic properties were investigated using thermogravimetric and differential thermal analysis, X-ray diffraction, scanning electron microscopy, transmission electron microscopy, vibrating sample magnetometry and their application in the selective catalytic reduction of NOx were studied. Analysis of structural properties reveals that all samples have cubic spinel structure. Room temperature magnetic hysteresis measurements as a function of magnetic field infer that the magnetic properties decrease with Cu{sup 2+} doping which may be due to the difference of the magnetic moment of Cu{sup 2+} and Co{sup 2+} ions. The higher activity of the samples in NO selective reduction to N{sub 2} occurs at 350 Degree-Sign C, reaching a maximum of 38% NO conversion and 95% of selective conversion to N{sub 2}. The compositions containing both Cu{sup 2+} and Co{sup 2+} ions are more active to the products selectivity to N{sub 2}, suggesting a synergistic effect on the active surface of ferrite and the effect of Co{sup 2+} is more pronounced than Cu{sup 2+} towards NO conversion.

Doping dependence of magnetic and transport properties in single crystalline Co-doped BaFe2As2

International Nuclear Information System (INIS)

Nakajima, Yasuyuki; Taen, Toshihiro; Tamegai, Tsuyoshi

2010-01-01

We report the doping dependence of transport and magnetic properties in Co-doped BaFe 2 As 2 . With increasing Co concentration x, structural and magnetic transitions are suppressed and superconductivity emerges in the range of 0.3 c at low temperatures and low fields obtained from bulk magnetization is reasonably large and the doping dependence shows a maximum at x∼0.07 similar to T c . The values of J c at low temperatures reach about 1x10 6 A/cm 2 around the optimally doped region, which is potentially attractive for technological applications.

Interfacial Healing and Transport Phenomena Modeling ff Biopolymers

Science.gov (United States)

Lebron, Karla

This research focuses on the characterization of bioplastics joined using ultrasonic welding and modeling of temperature distributions and interfacial healing. Polylactic acid (PLA), which is typically derived from starch-rich crops such as corn, was studied. While the measurement of activation energy for interfacial healing at weld interfaces of PLA films has been reported, here, this information is used to predict the weld strength of rigid PLA samples welded by ultrasonics. A characterization of the mechanical properties was completed with a tensile test to determine the effects of amplitude, melt velocity and collapse distance on weld strength. From previous interfacial healing activation energy measurements based on an impulse welding method, it was also possible to predict weld strength. It was found that the most influential parameters were weld time, collapse distance and weld velocity. In general, the model predicted weld strength reasonably well with r2 values between 0.77 and 0.78.

Preparation and characterization of segmented p-type Ti_0.3Zr_0.35Hf_0.35CoSb_0.8Sn_0.2/Ca₃Co₄O₉

DEFF Research Database (Denmark)

Le, Thanh Hung; Han, Li; Stamate, Eugen

with HH using an electrically conductive adhesive and brazing joining technique. The thermoelectric properties of the component materials as well as the interfacial resistance at high temperatures were characterized as a function of temperature up to 1100 K, and the results are discussed in details.......Misfit-layered cobaltite Ca3Co4O9+δ is considered as good p-type thermoelectric material in high temperature region (950 - 1100 K), while half-Heusler (HH) Ti0.3Zr0.35Hf0.35CoSb0.8Sn0.2 is high performance p-type material at temperatures below 950 K. In this work, oxide Ca3Co4O9+δ is segmented...

Investigation of oil recovery improvement by coupling an interfacial tension agent and a mobility control agent in light oil reservoirs. Second annual report, October 1993--September 1994

Energy Technology Data Exchange (ETDEWEB)

Pitts, M.J.

1995-04-01

{open_quotes}Investigation of Oil Recovery Improvement by Coupling an Interfacial Tension Agent and a Mobility Control Agent in Light Oil Reservoirs{close_quotes} is studying two major areas concerning co-injecting an interfacial tension reduction agent(s) and a mobility control agent. The first area defines the interactions of alkaline agents, surfactants, and polymers on a fluid-fluid and a fluid-rock basis. The second area concerns the economic improvement of the combined technology. This report continues the fluid-fluid interaction evaluations and begins the fluid-rock studies. Fluid-fluid interfacial tension work determined that replacing sodium ion with either potassium or ammonium ion in solutions with interfacial tension reduction up to 19,600 fold was detrimental and had little or no effect on alkali-surfactant solutions with interfacial tension reduction of 100 to 200 fold. Reservoir brine increases interfacial tension between crude oil and alkaline-surfactant solutions. Na{sub 2}CO{sub 3}-surfactant solutions maintained ultra low and low interfacial tension values better than NaOH-surfactant solutions. The initial phase of the fluid-rock investigations was adsorption studies. Surfactant adsorption is reduced when co-dissolved with alkali. Na{sub 2}CO{sub 3} and Na{sub 3}PO{sub 4} are more efficient at reducing surfactant adsorption than NaOH. When polymer is added to the surfactant solution, surfactant adsorption is reduced as well. When both polymer and alkali are added, polymer is the dominate component, reducing the Na{sub 2}CO{sub 3} and NaOH effect on adsorption. Substituting sodium ion with potassium or ammonium ion increased or decreased surfactant adsorption depending on surfactant structure with alkali having a less significant effect. No consistent change of surfactant adsorption with increasing salinity was observed in the presence or absence of alkali or polymer.

Ab-initio study of electronic and magnetic properties of Co-doped Mo2C monolayer

Science.gov (United States)

Mehta, Veenu; Tankeshwar, K.; Saini, Hardev S.

2018-05-01

The spin polarized density functional theory (DFT) based calculations has been performed to investigate the electronic and magnetic properties of pristine and Co-doped Mo2C using VASP code. The calculated results show that the pristine Mo2C is found to be non-magnetic whereas the Co dopant at Mo-site in the Mo2C monolayer generates the ferromagnetism in the resultant compound. The total magnetic moment of the system has been found to be 1.2µB which increases to 2.03µB as the concentration of Co increase from 3% to 8%, respectively. The electronic structure calculations of the pristine and Co-doped Mo2C show its metallic behavior which may found its application in magnetic energy storage devices, magnetic tape etc.

Investigation on CO2 property and its geological disposal in coal bed

International Nuclear Information System (INIS)

Liang Weiguo; Wu Di; Hao Shuping

2008-01-01

Carbon dioxide is main green house gas, and it has been increased greatly in the atmosphere since the industrial revolution. The human living environment has been worsened with more and more carbon dioxide in the air. In this paper, the authors analyzed the physical property of carbon dioxide and green house gas effect, then studied the disposal measures for carbon dioxide. At last it was pointed out that various measures should be taken to carry out the carbon dioxide disposal, more economic benefit can be anticipated along with carbon dioxide disposal by EOR, CO 2 -ECBM, CAES, et al, of which CO 2 -ECBM is one of the way with best benefits. (authors)

Growth and Wood/Bark Properties of Abies faxoniana Seedlings as Affected by Elevated CO2

Institute of Scientific and Technical Information of China (English)

Yun-Zhou Qiao; Yuan-Bin Zhang; Kai-Yun Wang; Qian Wang; Qi-Zhuo Tian

2008-01-01

Growth and wood and bark properties of Abies faxoniana seedlings after one year's exposure to elevated CO2 concentration (ambient + 350 (=1= 25) μmol/mol) under two planting densities (28 or 84 plants/mz) were investigated in closed-top chambers. Tree height, stem diameter and cross-sectional area, and total biomass were enhanced under elevated CO2 concentration, and reduced under high planting density. Most traits of stem bark were improved under elevated CO2 concentration and reduced under high planting density. Stem wood production was significantly increased in volume under elevated CO2 concentration under both densities, and the stem wood density decreased under elevated CO2 concentration and increased under high planting density. These results suggest that the response of stem wood and bark to elevated CO2 concentration is density dependent. This may be of great importance in a future CO2 enriched world in natural forests where plant density varies considerably. The results also show that the bark/wood ratio in diameter, stem cross-sectional area and dry weight are not proportionally affected by elevated CO2 concentration under the two contrasting planting densities. This indicates that the response magnitude of stem bark and stem wood to elevated CO2 concentration are different but their response directions are the same.

ECO2N V. 2.0: A New TOUGH2 Fluid Property Module for Mixtures of Water, NaCl, and CO₂

Energy Technology Data Exchange (ETDEWEB)

Pan, L. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Spycher, N. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Doughty, C. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Pruess, K. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

2014-12-01

ECO2N V2.0 is a fluid property module for the TOUGH2 simulator (Version 2.1) that was designed for applications to geologic sequestration of CO₂ in saline aquifers and enhanced geothermal reservoirs. ECO2N V2.0 is an enhanced version of the previous ECO2N V1.0 module (Pruess, 2005). It expands the temperature range up to about 300°C whereas V1.0 can only be used for temperatures below about 110°C. V2.0 includes a comprehensive description of the thermodynamics and thermophysical properties of H₂O - NaCl -CO₂ mixtures, that reproduces fluid properties largely within experimental error for the temperature, pressure and salinity conditions of interest (10 °C < T < 300 °C; P < 600 bar; salinity up to halite saturation). This includes density, viscosity, and specific enthalpy of fluid phases as functions of temperature, pressure, and composition, as well as partitioning of mass components H₂O, NaCl and CO₂ among the different phases. In particular, V2.0 accounts for the effects of water on the thermophysical properties of the CO₂-rich phase, which was ignored in V1.0, using a model consistent with the solubility models developed by Spycher and Pruess (2005, 2010). In terms of solubility models, V2.0 uses the same model for partitioning of mass components among the different phases (Spycher and Pruess, 2005) as V1.0 for the low temperature range (<99°C) but uses a new model (Spycher and Pruess, 2010) for the high temperature range (>109°C). In the transition range (99-109°C), a smooth interpolation is applied to estimate the partitioning as a function of the temperature. Flow processes can be modeled isothermally or non-isothermally, and phase conditions represented may include a single (aqueous or CO₂-rich) phase, as well as two-phase mixtures. Fluid phases may appear or disappear in the course of a simulation, and solid salt may precipitate or dissolve. This report gives technical

Molecular Dynamics Simulations on the solvation and interfacial behaviour of hydrophobic species. Applications to the TATB hypothesis and to the liquid/liquid extraction of cations to supercritical CO2

International Nuclear Information System (INIS)

Schurhammer, R.

2001-12-01

We report molecular dynamics studies on the solvation of charged hydrophobic molecules in pure liquids and at liquid / liquid interfaces. The first part of the thesis deals with the TATB hypothesis according to which the Asφ 4 + (TA + ) and Bφ 4 - (TB - ) ions have the same free energy of solvation in any solvent. The two ions are found to be solvated differently in pure liquids (water, chloroform, acetonitrile) as at a chloroform / water interface. These results are confirmed by free energy calculations and by simulations on iso-volume spherical S + and S - ions, which perfectly meet the TATB criteria. The many methodological tests performed show the importance of (i) the corrected treatment of 'long range interactions' (ii) the precise repartition of atomic charges (iii) the solvent models, especially for water, on the + / - charge discrimination by solvent. In the second part, in relation to the liquid / liquid extraction of cations from water to supercritical CO 2 , we report the behaviour of ions (Cs + , UO 2 2+ , Eu 3+ ), of un-complexed extractants molecules (tri-n-butylphosphate, calixarene), of their complexes with the cations and nitric acid at a preformed chloroform / water interface and during de-mixing simulations which started from a perfectly mixed CO 2 / water solutions. These studies demonstrate the importance of interfacial phenomena, of simulation conditions and acid and extractant concentrations, in assisted ion extraction to supercritical CO 2 . (author)

The effect of electron and hole doping on the thermoelectric properties of shandite-type Co3Sn2S2

OpenAIRE

Mangelis, Panagiotis; Vaqueiro, Paz; Jumas, Jean-Claude; da Silva, Ivan; Smith, Ronald I; Powell, Anthony V

2017-01-01

Electron and hole doping in Co3Sn2S2, through chemical substitution of cobalt by the neighbouring elements, nickel and iron, affects both the structure and thermoelectric properties. Electron doping to form Co3-xNixSn2S2 (0 ≤ x ≤ 3) results in an expansion of the kagome layer and materials become increasingly metallic as cobalt is substituted. Conversely, hole doping in Co3-xFexSn2S2 (0 ≤ x ≤ 0.6) leads to a transition from metallic to n-type semiconducting behaviour at x = 0.5. Iron substitu...

Nanoferrites of nickel doped with cobalt: Influence of Co{sup 2+} on the structural and magnetic properties

Energy Technology Data Exchange (ETDEWEB)

Rodrigues, A.P.G. [Federal University of Rio Grande do Norte, Chemical Institute, Natal-RN 59078-970 (Brazil); Gomes, D.K.S., E-mail: dkarinne@yahoo.com.br [Federal University of Rio Grande do Norte, Graduate Program in Materials Science and Engineering, Laboratory of Catalysis and Materials, Natal-RN 59078-970 (Brazil); Coordination of Improvement of Higher Education Personnel, CAPES/PNPD (Brazil); Araújo, J.H., E-mail: humberto@dfte.ufrn.br [Federal University of Rio Grande do Norte, Department of Theoretical and Experimental Physics, Laboratory of Magnetism and Magnetic Materials, Natal-RN 59078-970 (Brazil); Melo, D.M.A., E-mail: daraujomelo@gmail.com [Federal University of Rio Grande do Norte, Chemical Institute, Natal-RN 59078-970 (Brazil); Oliveira, N.A.S. [Federal University of Rio Grande do Norte, Chemical Institute, Natal-RN 59078-970 (Brazil); Braga, R.M., E-mail: renata@cear.ufpb.br [Federal University of Paraíba, DEER-CEAR, João Pessoa–PB 58051-970 (Brazil)

2015-01-15

Nanoferrites of nickel substituted with cobalt of composition Ni{sub 1−x}Co{sub x}Fe{sub 2}O{sub 4} (0≤x≤0.75), were synthesized by combustion reaction assisted in microwaves. The influence of the substitution of Ni{sup 2+} by Co{sup 2+} content and the concentration of Co{sup 2+} in the structural and magnetic properties was investigated. The powders were prepared by combustion according to the concept of chemical propellants and heated in a microwave oven with a power of 7000 kW. The synthesized powders were characterized by absorption spectroscopy in the infrared region (FTIR), X-ray diffraction (XRD) together with Rietveld refinement, surface area (BET) method, scanning electron microscopy (MEV) and magnetic measurements (MAV). The results indicated that it was possible to obtain nickel ferrite doped with cobalt in all compositions and that an increase of cobalt concentration caused an increase in particle size (9.78–21.63 nm), a reduction in surface area, and reduction in magnetic concentrations greater than 50%. - Highlights: • Nanoferrites Ni{sub 1–x}Co{sub x}Fe{sub 2}O{sub 4}(0≤x≤0.75) synthesized by combustion reaction assisted. • The structural and magnetic properties of substitution of Ni{sup 2+} by Co{sup 2+} were investigate. • Combustion reaction takes spinel phase with suitable magnetic properties. • The ferrites presented characteristics of soft and intermediate magnetic materials.

Defect-driven interfacial electronic structures at an organic/metal-oxide semiconductor heterojunction.

Science.gov (United States)

Winget, Paul; Schirra, Laura K; Cornil, David; Li, Hong; Coropceanu, Veaceslav; Ndione, Paul F; Sigdel, Ajaya K; Ginley, David S; Berry, Joseph J; Shim, Jaewon; Kim, Hyungchui; Kippelen, Bernard; Brédas, Jean-Luc; Monti, Oliver L A

2014-07-16

The electronic structure of the hybrid interface between ZnO and the prototypical organic semiconductor PTCDI is investigated via a combination of ultraviolet and X-ray photoelectron spectroscopy (UPS/XPS) and density functional theory (DFT) calculations. The interfacial electronic interactions lead to a large interface dipole due to substantial charge transfer from ZnO to 3,4,9,10-perylenetetracarboxylicdiimide (PTCDI), which can be properly described only when accounting for surface defects that confer ZnO its n-type properties. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Surface and interfacial chemistry of high-k dielectric and interconnect materials on silicon

Science.gov (United States)

Kirsch, Paul Daniel

Surfaces and interfaces play a critical role in the manufacture and function of silicon based integrated circuits. It is therefore reasonable to study the chemistries at these surfaces and interfaces to improve existing processes and to develop new ones. Model barium strontium titanate high-k dielectric systems have been deposited on ultrathin silicon oxynitride in ultrahigh vacuum. The resulting nanostructures are characterized with secondary ion mass spectroscopy (SIMS) and X-ray photoelectron spectroscopy (XPS). An interfacial reaction between Ba and Sr atoms and SiOxNy was found to create silicates, BaSixOy or SrSi xOy. Inclusion of N in the interfacial oxide decreased silicate formation in both Ba and Sr systems. Furthermore, inclusion of N in the interfacial oxide decreased the penetration of Ba and Sr containing species, such as silicides and silicates. Sputter deposited HfO2 was studied on nitrided and unnitrided Si(100) surfaces. XPS and SIMS were used to verify the presence of interfacial HfSixOy and estimate its relative amount on both nitrided and unnitrided samples. More HfSixOy formed without the SiNx interfacial layer. These interfacial chemistry results are then used to explain the electrical measurements obtained from metal oxide semiconductor (MOS) capacitors. MOS capacitors with interfacial SiNx exhibit reduced leakage current and increased capacitance. Lastly, surface science techniques were used to develop a processing technique for reducing thin films of copper (II) and copper (I) oxide to copper. Deuterium atoms (D*) and methyl radicals (CH3*) were shown to reduce Cu 2+ and/or Cu1+ to Cu0 within 30 min at a surface temperature of 400 K under a flux of 1 x 1015 atoms/cm2s. Temperature programmed desorption experiments suggest that oxygen leaves the surface as D2O and CO2 for the D* and CH3* treated surfaces, respectively.

Uncertainty in RELAP5/MOD3.2 calculations for interfacial drag in downward two-phase flow

International Nuclear Information System (INIS)

Clark, Collin; Schlegel, Joshua P.; Hibiki, Takashi; Ishii, Mamoru; Kinoshita, Ikuo

2016-01-01

Highlights: • Uncertainty propagation is key for best estimate code reliability. • Uncertainty in drift flux correlations used to evaluate uncertainty in interfacial drag. • Bias and error have been compared for various models. - Abstract: RELAP5/MOD3.2 is a thermal-hydraulic system analysis code used to predict the response of nuclear reactor coolant systems in the event of certain accident scenarios. It is important that RELAP and other system analysis codes are able to accurately predict various two-phase flow phenomena, particularly the interfacial transfers between the liquid and gas phases. It is also important to understand how much uncertainty exists in these predictions due to uncertainties in the constitutive relations used to close the two-fluid model. In this paper, the uncertainty in the interfacial drag calculated by RELAP5/MOD3.2 due to errors in the drift-flux models used to close the model is evaluated and compared to the correlation developed by Goda et al. (2003). The case of downward flow is considered due to the importance of co-current and counter-current downward flow for predicting behavior in the downcomer of reactor systems during small-break Loss of Coolant Accidents (LOCAs) in nuclear reactor systems. The overall uncertainty in the interfacial force calculations due to error in the distribution parameter models were found to have a bias of +8.1% and error of 20.1% for the models used in RELAP5, and a bias of −30.8% and error of 23.1% for the correlation of Goda et al. (2003). However this analysis neglects the effects of compensating errors in the drift-flux parameters, as the drift velocity is assumed to be perfectly accurate. More physically meaningful results could be obtained if the distribution parameter and drift velocity were calculated directly from local phase concentration and velocity measurements, however no studies were available which included all of this information.

Structural, electronic and magnetic properties of partially inverse spinel CoFe2O4: a first-principles study

International Nuclear Information System (INIS)

Hou, Y H; Liu, Z W; Yu, H Y; Zhong, X C; Qiu, W Q; Zeng, D C; Wen, L S; Zhao, Y J

2010-01-01

Partially inverse spinel CoFe 2 O 4 , which may be prepared through various heat treatments, differs remarkably from the ideal inverse spinel in many properties. The structure of partially inverse spinel CoFe 2 O 4 as well as its electronic and magnetic properties through a systemic theoretical calculation of (Co 1-x Fe x ) Tet (Co x Fe 2-x ) Oct O 4 (x = 0, 0.25, 0.5, 0.75 and 1.0) have been investigated by the generalized gradient approximation (GGA) + U approach. It is found that the Co and Fe ions prefer their high spin configurations with higher spin moments at octahedral sites in all the studied cases, in line with experimental observations. The Co ions at the octahedral sites favour being far away from each other in the partial inverse spinels, which also show half metallicity at certain inversion degrees.

Preparation process and properties of LiCoO2/PANI/dodecylbenzenesulfonate composite electrode materials

International Nuclear Information System (INIS)

Ferchichi, Karima; Hbaieb, Souhaira; Amdouni, Noureddine; Kalfat, Rafik; Chevalier, Yves

2013-01-01

Composite materials that combine the lithium exchanging material LiCoO 2 and the conductive polymer poly(aniline) (PANI) have been investigated regarding their possible application to electrode materials of lithium batteries. Such composite materials have been prepared by means of polymerization of aniline in acidic suspensions of LiCoO 2 particles. PANI was synthesized by oxidative polymerization of aniline by ammonium persulfate in the presence of sodium dodecylbenzenesulfonate (SDBS) as a micellar template and dopant. The composite material consisted in LiCoO 2 particles dispersed in a continuous matrix of PANI. The ribbon-like morphology of the powdered material was distinctly different of the morphologies of the parent materials. The conductive material had conductivity close to that of PANI because the LiCoO 2 content of the composite material was low. The presence of the poorly conductive inorganic phase caused a significant loss of conductivity, showing that LiCoO 2 blocked electronic transfers between PANI crystallites. Ammonium persulfate caused the loss of lithium from LiCoO 2 when it was used at high concentration in the polymerization recipe. In this case a new phase made of Co 3 O 4 formed by chemical decomposition of Li x CoO 2 . Thin films prepared from stable suspensions of composite materials in water show comparable electrical performance to that measured for bulk materials. - Highlights: • LiCoO 2 was incorporated in a conductive polymer matrix made of PANI. • The hybrid material retained the high conductive properties of PANI. • Loss of lithium by persulfate oxidation caused conversion of LiCoO 2 into Co 3 O 4

Effect of sizing on carbon fiber surface properties and fibers/epoxy interfacial adhesion

International Nuclear Information System (INIS)

Dai Zhishuang; Shi Fenghui; Zhang Baoyan; Li Min; Zhang Zuoguang

2011-01-01

This paper aims to study effect of sizing on surface properties of carbon fiber and the fiber/epoxy interfacial adhesion by comparing sized and desized T300B and T700SC carbon fibers. By means of X-ray photoelectron spectroscopy (XPS), activated carbon atoms can be detected, which are defined as the carbon atoms conjunction with oxygen and nitrogen. Surface chemistry analysis shows that the desized carbon fibers present less concentration of activated carbon, especially those connect with the hydroxyl and epoxy groups. Inverse gas chromatography (IGC) analysis reveals that the desized carbon fibers have larger dispersive surface energy γ S D and smaller polar component γ S SP than the commercial sized ones. Moreover, micro-droplet test shows that the interfacial shear strength (IFSS) of the desized carbon fiber/epoxy is higher than those of the T300B and T700SC. Variations of the IFSS for both the sized and desized carbon fibers correspond to γ S D /γ S tendency of the fiber surface, however the work of adhesion does not reveal close correlation with IFSS trend for different fiber/epoxy systems.

Nanoscale Chemical Processes Affecting Storage Capacities and Seals during Geologic CO2 Sequestration.

Science.gov (United States)

Jun, Young-Shin; Zhang, Lijie; Min, Yujia; Li, Qingyun

2017-07-18

Geologic CO 2 sequestration (GCS) is a promising strategy to mitigate anthropogenic CO 2 emission to the atmosphere. Suitable geologic storage sites should have a porous reservoir rock zone where injected CO 2 can displace brine and be stored in pores, and an impermeable zone on top of reservoir rocks to hinder upward movement of buoyant CO 2 . The injection wells (steel casings encased in concrete) pass through these geologic zones and lead CO 2 to the desired zones. In subsurface environments, CO 2 is reactive as both a supercritical (sc) phase and aqueous (aq) species. Its nanoscale chemical reactions with geomedia and wellbores are closely related to the safety and efficiency of CO 2 storage. For example, the injection pressure is determined by the wettability and permeability of geomedia, which can be sensitive to nanoscale mineral-fluid interactions; the sealing safety of the injection sites is affected by the opening and closing of fractures in caprocks and the alteration of wellbore integrity caused by nanoscale chemical reactions; and the time scale for CO 2 mineralization is also largely dependent on the chemical reactivities of the reservoir rocks. Therefore, nanoscale chemical processes can influence the hydrogeological and mechanical properties of geomedia, such as their wettability, permeability, mechanical strength, and fracturing. This Account reviews our group's work on nanoscale chemical reactions and their qualitative impacts on seal integrity and storage capacity at GCS sites from four points of view. First, studies on dissolution of feldspar, an important reservoir rock constituent, and subsequent secondary mineral precipitation are discussed, focusing on the effects of feldspar crystallography, cations, and sulfate anions. Second, interfacial reactions between caprock and brine are introduced using model clay minerals, with focuses on the effects of water chemistries (salinity and organic ligands) and water content on mineral dissolution and

Interface feature characterization and Schottky interfacial layer confirmation of TiO{sub 2} nanotube array film

Energy Technology Data Exchange (ETDEWEB)

Li, Hongchao [State Key Laboratory of Powder Metallurgy, Central South University, 410083 Changsha (China); Chongyi Zhangyuan Tungsten Industry Corporation Limited, 341300 Ganzhou (China); Tang, Ningxin; Yang, Hongzhi; Leng, Xian [State Key Laboratory of Powder Metallurgy, Central South University, 410083 Changsha (China); Zou, Jianpeng, E-mail: zoujp@csu.edu.cn [State Key Laboratory of Powder Metallurgy, Central South University, 410083 Changsha (China)

2015-11-15

Highlights: • Interfacial fusion of TiO{sub 2} nanotube film increases with annealing temperature. • Interface bonding force of the film increases with annealing temperature. • We report the forth stage of nanofibers formation in the growing mechanism. • TiO{sub 2} nanotubes grow from Schottky interface layer rather than from Ti substrate. • Schottky interface layer's thickness of 35–45 nm is half the diameter of nanotube. - Abstract: We report here characterization of the interfacial microstructure and properties of titanium dioxide (TiO{sub 2}) nanotube array films fabricated by anodization. Field effect scanning electron microscopy (FESEM), X-ray diffraction (XRD), nanoindentation, atomic force microscopy (AFM), selected area electron diffraction (SAED), and high-resolution transmission electron microscopy (HRTEM) were used to characterize the interface of the film. With increasing annealing temperature from 200 °C to 800 °C, the interfacial fusion between the film and the Ti substrate increased. The phase transformation of the TiO{sub 2} nanotube film from amorphous to anatase to rutile took place gradually; as the phase transformation progressed, the force needed to break the film increased. The growth of TiO{sub 2} nanotube arrays occurs in four stages: barrier layer formation, penetrating micropore formation, regular nanotube formation, and nanofiber formation. The TiO{sub 2} nanotubes grow from the Schottky interface layer rather than from the Ti substrate. The Schottky interface layer's thickness of 35–45 nm was identified as half the diameter of the corresponding nanotube, which shows good agreement to the Schottky interface layer growth model. The TiO{sub 2} nanotube film was amorphous and the Ti substrate was highly crystallized with many dislocation walls.

Experimental and theoretical investigations on the carbon dioxide gas hydrate formation kinetics at the onset of turbidity regarding CO2 capture and sequestration processes

International Nuclear Information System (INIS)

ZareNezhad, Bahman; Mottahedin, Mona; Varaminian, Farshad

2013-01-01

The carbon dioxide gas hydrate formation kinetics at the onset of turbidity is experimentally and theoretically investigated. It is shown that the time-dependent heterogeneous nucleation and growth kinetics are simultaneously governing the hydrate formation process at the onset of turbidity. A new approach is also presented for determination of gas hydrate-liquid interfacial tension. The CO 2 hydrate-liquid interfacial tension according to the suggested heterogeneous nucleation mechanism is found to be about 12.7 mJ/m 2 . The overall average absolute deviation between predicted and measured CO 2 molar consumption is about 0.61%, indicating the excellent accuracy of the proposed model for studying the hydrate-based CO 2 capture and sequestration processes over wide ranges of pressures and temperatures

A Study on the Evaluation of Real Gas vs. Ideal Gas for its Application to the CO2 Leak Flow Model