Orientation, stress, and strain in an (001) barium titanate single crystal with 90° lamellar domains determined using electron backscatter diffraction

The orientation, stress, and strain in a single crystal of barium titanate (BaTiO₃), containing relatively large (0.5–14.5 μm), parallel, lamellar domains, have been determined and mapped using electron backscatter diffraction (EBSD). The strain distribution in the single crystal was determined using cross-correlation analysis of the EBSD patterns. Strain in the (001) single crystal was dominated by strain in the minority a-domain bands with peak values of ?0.006 determined in the surface plane, perpendicular to the intersection of the domain walls with the crystal surface, compared to +0.002 in the same direction for the majority c-domains. The out-of-plane strains were negatively correlated with the in-plane strains and were about a factor of two smaller. The experimentally determined strains peak at domain boundaries and suggest a contraction of the c-axis and an expansion of one of the a-axes as the domain wall is approached. The ratios of the in-plane and out-of-plane strains were consistent with the bulk elastic constants of BaTiO₃. Stress values determined from the strains and the elastic constants peaked at 400 MPa.     

Temperature dependence of surface impedance Z(T, ω) and mean free paths I(T) of YBCO-superconductors

The surface impedance Z(T,) at 10 and 145 GHz and between 4 and 300 K is obtained experimentally. Z(T_aTT_c) is quantitatively fitted by the BCS theory with a mean free path I(T) increasing rapidely below T_c. This I-increase in the frame of the BCS-theory is limited at T_a by inelastic surface scattering at weak or strong links, e.g., by twin boundaries in distances a_TW which dominates scattering for a_Tw2I(T_a). Below T_a the enforced energy transfer from YBCO-crystallites to weak links may enhance Z(Ta) until at T T* the weak link surface impedance dominates Z_res(T相似文献   

Dielectric and elastic properties of 0.70Pb(Mg1/3Nb2/3)O3–0.30PbTiO3 single crystal and their electric-field dependence

The dielectric and elastic properties of [001]_c-oriented 0.7Pb(Mg_1/3Nb_2/3)O₃–0.3PbTiO₃ (PMN–0.3PT) crystal were investigated as a function of poling field at 300 and 360 K, respectively. At 300 K, the dielectric constant and elastic compliance of rhombohedral PMN–0.3PT crystal change drastically at a critical field corresponding to an electric-induced ferroelectric phase transition. At 360 K, the PMN–0.3PT crystal is tetragonal, its dielectric constant and elastic compliance change drastically at two critical fields, which indicates an intermediate phase. Furthermore, much small dielectric loss factors and mechanical loss factors are observed in mono-domain state, which indicates that losses mainly come from domain wall contributions.     

Branched chain polymeric metal complexes containing Co(II) or Ni(II) complexes with a donor–π–acceptor architecture: synthesis,characterization, and photovoltaic applications

Four donor–π–acceptor type polymeric metal complexes (PCo–F, PCo–B, PNi–F, and PNi–B) with Co(II) or Ni(II) complexes in the branched chain were synthesized by the Heck coupling and utilized as dyes for dye-sensitized solar cells (DSSCs). The structures, photophysical, electrochemicals, and thermal properties of the four dyes were investigated in detail, and the results showed that dye containing Ni(II) complex and alkoxy benzene unit benefited the generation of photocurrent and the open-circuit voltages. The polymeric metal complexes possess good thermal stability and exhibit good solubility in common organic solvents such as chloroform, THF, and toluene. The maximal power conversion efficiency of 1.21% (J _sc = 2.49 mA/cm², V _oc = 0.695 V, FF = 0.59) was obtained with a DSSCs based on PNi–B dye under simulated air mass 1.5 G solar irradiation.     

Interaction of furans and thiophenes with Cu (II) — exchanged ZSM-5 and Y zeolites

The formation of radicals on furan and thiophene and their methyl derivatives of CuZSM-5 and on CuY zeolites was studied by EPR technique. In some cases, stable monomer radicals of furans and thiophenes were observed on CuZSM-5, whereas the dimeric radicals were observed mainly on CuY. The channel structure of the zeolite seemed to affect the formation of radical species.     

Complexes with aromatic carboxylic acids II preparation and crystal structure of Cu[C10H4(COO)2(OCOCO)] · 4H2O (1)

Single crystals of Cu[C₁₀H₄(COO)₂(OCOCO)] · 4H₂O were grown in aqueous silicagel. Cu²⁺ is mainly coordinated by two water molecules and two oxygen atoms of the [C₁₀H₄(COO)₂(OCOCO)]²⁻ ions in a square-planar fashion. The coordination sphere is completed by two longer Cu-water distances, thus yielding an elongated octahedron. The main feature of the crystal structure is a binuclear cluster made up of two of these octahedra sharing a common edge and being held together by two bridging [C₁₀H₄(COO)₂(OCOCO)]²⁻ ions. These binuclear units are interlinked to a three-dimensional network by an extensive system of hydrogen bonds involving all water molecules. Bond lengths in the dianion correspond to a system of strongly delocalized γ-electrons with a locally varying degree of partial double bonding.     

Synthesis,crystal structure,photoluminescence and dielectric properties of a new organic–inorganic compound: tetrachlorocadmate (II) 2.2′-bipyridinium

Single crystals of a new organic–inorganic compound (C₁₀H₁₀N₂) CdCl₄ were grown by the slow evaporation technique and characterized by X-ray diffraction, Hirshfeld surface, Infrared absorption, Solid state ¹³C NMR, photoluminescence (PL) properties, differential scanning calorimetry (DSC) and dielectric measurements. The title compound belongs to the monoclinic space group P2₁/c with the following unit cell parameters: a?=?7.29420(1), b?=?13.9206(3), c?=?14.3880(3) Å, β?=?100.247(2)° and Z?=?4. The structure can be described by the alternation of two different cationic-anionic layers. It consists of isolated [CdCl₄]^2? tetrahedral anions and 2.2′ bipyridinium (C₁₀H₁₀N₂)²⁺ cations, which are connected via N–H?Cl hydrogen bonds. The Hirshfeld surface analysis was conducted to investigate intermolecular interactions and associated 2D fingerprint plots, revealing the relative contribution of these interactions in the crystal structure quantitatively. Furthermore, the room temperature infrared (IR) spectrum of the title compound was recorded and analyzed on the basis of detailed vibrational studies found in the literature; the detailed assignment confirms the presence of the organic groups. Solid state ¹³C NMR spectrum shows four signals, confirming the solid state structure determined by X-ray diffraction. Besides, photoluminescence measurements showed a strong emission line at 2.95 eV associated with radiative recombinations of excitons confined within the [CdCl₄]^2? which were investigated at room temperature. Finally, the thermal analysis studies were performed, and phase transition was found in the temperature range between 300 and 550 K, while the electrical measurements were performed to discuss the phase-transition mechanism.     

Structural,optical, thermal,photoconductivity, laser damage threshold and fluorescence analysis of an organic material: β-P-amino benzoic acid single crystal

β-P-amino benzoic acid, an organic single crystal was grown by slow evaporation technique. Single crystal X-ray diffraction studies show that the grown crystal has β-polymorph of P-amino benzoic acid [β-PABA] form and the lattice parameters are a = 6.30 Å, b = 8.61 Å, c = 12.43 Å α = γ = 90° and β = 100.20°. FTIR analysis confirms that bands at 1588 cm⁻¹, 1415 cm⁻¹ are assigned to ring skeletal vibrations of title compound. The molecular structure of the grown crystal has been identified by Nuclear Magnetic Resonance spectral study. The optical absorbance spectrum from 200 to 1100 nm shows that there is an edge absorbance in UV region. Optical band gap of the crystal has been assessed from the absorbance spectrum. The thermal properties of crystals were evaluated from TG-DTA analysis, it exhibits that there is no weight loss up to 187 °C. Laser damage threshold indicates that the grown crystal has no surface damage up to 35 mJ. Photoconductivity and fluorescence spectral experiments are also carried out and the results are discussed.     

Structural,optical, electrical properties of new hybrid organic–inorganic NLO single crystal: bis(1H-benzotriazole) hexaaqua-zinc bis(sulfate) tetrahydrate (BZS)

A new hybrid organic–inorganic nonlinear (NLO) single crystal, Bis(1H-benzotriazole) hexaaqua-zinc bis(sulfate) tetrahydrate (BZS), has been successfully synthesized and the single crystals were grown by slow evaporation solution growth technique (SESG) using Millipore water as a solvent. The structure of the BZS crystal was solved and refined by single-crystal X-ray diffraction and demonstrates that the grown crystals belong to a triclinic system with the space group P-1. The asymmetric part of the titled compound contains isolated organic cation (C₆H₆N₃)₂, metallic cation [Zn(H₂O)₆]²⁺, sulfate anion (SO₄)^2? and free H₂O molecules. The interplay between the wide number of intermolecular interaction such as O–H···O, N–H···O, C–H···O and π–π stacking interactions were discussed. The optical transmittance spectrum shows that the crystal is excellent transmittance in the entire Vis–NIR region with the cutoff wavelength at 345 nm. The presences of expected functional groups were identified by Fourier transform infrared spectroscopy. The dielectric measurements were carried out at different temperature in the frequency range 100 Hz–5MHz. Furthermore, the studies of its third-order NLO properties using a Z-scan technique demonstrate that the BZS crystal possesses a strong reverse saturable absorption (RSA) and the self-focusing (SF) nature with large second order hyperpolarizability (γ?=?6.24?×?10^?34 esu). All the results indicate that BZS crystal might be the potential candidate for the third-order NLO applications.     

C-H⋯X (X = N,O) hydrogen bond-mediated assembly of donors and acceptors: The crystal structures of phenazine complexes with 1,4-dinitrobenzene and TCNQ

The charge-transfer complexes of phenazine:1,4-dinitrobenzene (1) and phenazine:TCNQ (2) were crystallized from a 1:1 solution mixture of methanol:acetonitrile. The donor and acceptor molecules in 1 and 2 are stacked with centroid-centroid distances of 3.61 Å and 4.24 Å, respectively. The crystal packing analysis of these complexes reveal planar two-dimensional structures that are stabilized by numerous C-H⋯X (X = N, O) hydrogen bonds. Alignment of donor and acceptor molecules within the sheet structures of 1 and 2 is strikingly similar. A close analogue of complex 2, the 1:1 charge transfer complex of anthracene:TCNQ exhibits an entirely different architecture from 2 due to differences in C-H⋯N hydrogen bonding preferences.     

Decarbonising product supply chains: design and development of an integrated evidence-based decision support system – the supply chain environmental analysis tool (SCEnAT)

Based upon an increasing academic and business interest in greening the industrial supply chains, this paper establishes the need for a state-of-the-art decision support system (DSS) for carbon emissions accounting and management, mainly across the product supply chains by identifying methodological shortcomings in existing tools, and proposing a supply chain (SC) framework which provide businesses with a holistic understanding of their supply chains and ensuring partners within supply chain collaborative networks have a shared understanding of their emissions. It describes the design and development of a DSS now known as supply chain environmental analysis tool (SCEnAT) in detail, putting its unique and innovative features into a comparative perspective vis-à-vis existing tools and software of different types. The methodological framework used to design and develop SCEnAT integrates different individual techniques/methods of supply chain (SC) mapping, SC carbon accounting, SC interventions and SC interventions evaluation on a range of key performance indicators (KPIs). These individual methods have been used and applied innovatively to the challenge of designing SCEnAT within the desired framework. Finally, we demonstrate the application of SCEnAT, especially the advantage of using a robust carbon accounting methodology, to a SC case study. The SCEnAT framework pushes the theoretical boundary by addressing the problems of intra-organisational approach in decision making for lowering carbon along the supply chain; with an open innovation, cutting edge, hybridised framework that considers the supply chain as a whole in co-decision making for lowering carbon along the supply chain with the most robust methodology of hybrid life cycle analysis (LCA) that considers direct and indirect emissions and interventional performance evaluation for low carbon technology investment and business case building in order to adapt and mitigate climate change problems. This research has implications for future sustainability research in SC, decisions science, management theory, practice and policy.     

Stranski–Krastanov growth of (Si)Ge/Si(001): transmission electron microscopy compared with segregation theory

ABSTRACT

We performed transmission electron microscopy of SiGe/Si(001) and Ge/Si(001) samples that undergo the Stranski–Krastanov transition from flat layer to island growth. With the help of quantitative X-ray maps of those layers, we have determined the total amount of deposited germanium at which islanding commences. The maximum amount of Ge buried in a flat layer amounts to 2.3 monolayers. We show by modelling that it is the strain due to the total amount of Ge atoms deposited that drives the islanding process. At 600°C [400°C], 1.62 [1.74] monolayers of Ge are expected from simulations to segregate towards the surface, the strain of which is sufficient to trigger plastic relaxation by islanding, in agreement with our electron microscope observations.

This is part of a thematic issue on Nanoscale Materials Characterisation and Modeling by Advances Microscopy Methods - EUROMAT.     

Electronic and optical properties of (Al x Ga1−x )1−y Mn y As single crystal: a new candidate for integrated optical isolators and spintronics

We have explored the electronic and optical properties of cubic (Al _x Ga_1?x )_1?y Mn _y As system using the FP-LAPW method. The unit cell has 64 atoms, so that one manganese (Mn) atom is placed in the position of gallium site, which corresponds to 3.125 % doping concentration with x = 12.5 %. Our calculations, using local density approximation + U (Hubbard parameter) scheme, predict that the ferromagnetic state for AlGaMnAs, with a magnetic moment of about 4.014 μ_B per Mn dopant is more favorable. Despite its electronic properties being strongly affected by inducing small amounts of Mn substitutional atoms in the cationic sublattice of AlGaAs, (Al _x Ga_1?x )_1?y Mn _y As possesses optical properties strictly less than those of Al _x Ga_1?x As, especially its optical conductivity at the peak 1.256 eV. The results indicate that AlGaMnAs may be a good candidate for optoelectronics when exploited in optical fiber networks, and it can still be of great interest because of its promising potential when used for spintronics.     

Complete set of material properties of single domain 0.24Pb(In(1∕2)Nb(1∕2))O(3)-0.49Pb(Mg(1∕3)Nb(2∕3))O(3)-0.27PbTiO(3) single crystal and the orientation effects

Multidomain relaxor-based single crystals have intrigued the enthusiasm of many researchers due to their superior electromechanical properties. In order to understand the physical origin of multidomain properties, one must know the complete set of material coefficients in single domain state. Previous published single domain data were all measured under bias because single domain state is unstable. Here, we report a set of single domain data without bias for rhombohedral 0.24Pb(In(1∕2)Nb(1∕2))O(3)-0.49Pb(Mg(1∕3)Nb(2∕3))O(3)-0.27PbTiO(3) single crystal. Comparing rotated coefficients from single domain data with measured multidomain material coefficients, we concluded that the orientation effects account for more than 90% of the observed multidomain properties.     

Synthesis and crystal structure of An(VI) complexes with cyclobutanecarboxylic acid anions and 2,2′-bipyridine [An(VI) = U,Np, Pu]

New complexes of hexavalent U, Np, and Pu of the composition [UO₂(bipy)(cbc)₂] (I) and [AnO₂(bipy)(cbc)₂]·0.5(bipy) [An = Np (II) and Pu (III)] with cyclobutanecarboxylic acid anions C₄H₇COO^– and 2,2′-bipyridine (bipy) were synthesized, and their structures were studied. The An atoms in I–III have the coordination surrounding in the form of distorted hexagonal bipyramids with the О atoms of AnO₂²⁺ cations in the apical positions. The equatorial plane of the bipyramids is constituted by the O atoms of two C₄H₇COO^– anions and N atoms of bipy.     

Performance measures and metrics in logistics and supply chain management: a review of recent literature (1995–2004) for research and applications

Performance measures and metrics are essential for effectively managing logistics operations, particularly in a competitive global economy. The global economy is featured with global operations, outsourcing and supply chain and e-commerce. The real challenge for managers of this new enterprise environment is to develop suitable performance measures and metrics to make right decisions that would contribute to an improved organizational competitiveness. Now the question is whether traditional performance measures can be used and out of them which ones should be given priority for measuring the performance in a new enterprise environment. Some of the traditional measures and metrics may not be suitable for the new environment wherein many activities are not easily identifiable. Measuring intangibles and nonfinancial performance measures pose the greater challenge in the so-called knowledge economy. Nevertheless, measuring them is so critical for the successful operations of companies in this environment. Considering the importance of nonfinancial measures and intangibles, an attempt has been made in this paper to determine the key performance measures and metrics in supply chain and logistics operations. This is based on a literature survey and some of the reported case experiences. Suggestions for future research directions are also indicated.     

Chemical vapour transport of transition-metal oxides (II) epitaxial growth of RuO2, IrO2 and (Ru1−x,Irx)O2 on TiO2

Epitaxial Growth of RuO₂ and IrO₂ has been performed by Chemical Vapour Transport on prepared TiO₂ substrates. Two types of samples are found. The first shows epitaxial layers of the ruthenium and iridium oxides with orientations close to that of the substrate, and with low level interdiffusion of the components. The second shows no epitaxial growth, but the incorporation of Ru and Ir into the substrate surface giving a brown colouration. The transmission spectra of these samples in the visible range show an absorption increasing with photon energy. For the Ru doped surfaces, two absorption bands may be distinguished.     

Biological behaviour of an endothelial cell line (HPMEC) on vascular prostheses grafted with hydroxypropylgamma-cyclodextrine (HPγ-CD) and hydroxypropylbeta-cyclodextrine (HPβ-CD)

The cytocompatibility of cyclodextrins (CDs) grafting on vascular polyester (PET) prostheses for further loading with biomolecules was investigated in this study. Viability tests demonstrated no toxicity of HP-CDs and PolyHP-CDs at 4,000 mg/l with survival rates of 80 to 96%. Proliferation tests using the human pulmonary microvascular endothelial cell line (HPMEC-ST1) revealed an excellent biocompatibility for Melinex (Film form of PET). For Polythese and Polymaille, a good proliferation rate was observed at 3 days (60-80%) but decreased at 6 days (56-73%). For all CD-grafted samples, low proliferation rates were observed after 6 days (35-38%). Vitality tests revealed excellent functional capacities of HPMEC cells after 3 and 6 days for all samples. Adhesion kinetics tests showed a similar adhesion of HPMEC cells on control and Melinex. A low adhesion was observed on Polythese and especially on Polymaille compared to control. After CD grafting, the cell adhesion was decreased. The woven or knitted architecture and CD grafting were the most likely causes of this weak adhesion. The adhesion kinetic test was confirmed by SEM observations and immunocytochemistry. The low proliferation of HPMEC on virgin prostheses and especially on grafted prostheses was not due to a cytotoxic effect, but to the physical surface characteristics of the prostheses.     

Forging property,processing map,and mesoscale microstructural evolution modeling of a Ti-17 alloy with a lamellar (α+β) starting microstructure

Abstract

This work identifies microstructural conversion mechanisms during hot deformation (at temperatures ranging from 750 °C to 1050 °C and strain rates ranging from 10^?3 s^?1 to 1 s^?1) of a Ti-5Al-2Sn-2Zr-4Mo-4Cr (Ti-17) alloy with a lamellar starting microstructure and establishes constitutive formulae for predicting the microstructural evolution using finite-element analysis. In the α phase, lamellae kinking is the dominant mode in the higher strain rate region and dynamic globularization frequently occurs at higher temperatures. In the β phase, continuous dynamic recrystallization is the dominant mode below the transition temperature, T_β (880~890 °C). Dynamic recovery tends to be more active at conditions of lower strain rates and higher temperatures. At temperatures above T_β, continuous dynamic recrystallization of the β phase frequently occurs, especially in the lower strain rate region. A set of constitutive equations modeling the microstructural evolution and processing map characteristic are established by optimizing the experimental data and were later implemented in the DEFORM-3D software package. There is a satisfactory agreement between the experimental and simulated results, indicating that the established series of constitutive models can be used to reliably predict the properties of a Ti-17 alloy after forging in the (α+β) region.     

Transient simulation of a miniature Joule–Thomson (J–T) cryocooler with and without the distributed J–T effect

The aim of this work is to develop a transient program for the simulation of a miniature Joule–Thomson (J–T) cryocooler to predict its cool-down characteristics. A one dimensional transient model is formulated for the fluid streams and the solid elements of the recuperative heat exchanger. Variation of physical properties due to pressure and temperature is considered. In addition to the J–T expansion at the end of the finned tube, the distributed J–T effect along its length is also considered. It is observed that the distributed J–T effect leads to additional cooling of the gas in the finned tube and that it cannot be neglected when the pressure drop along the length of the finned tube is large. The mathematical model, method of resolution and the global transient algorithm, within a modular object-oriented framework, are detailed in this paper. As a part of verification and validation of the developed model, cases available in the literature are simulated and the results are compared with the corresponding numerical and experimental data.