Phase field microelasticity modeling of dislocation dynamics near free surface and in heteroepitaxial thin films

Dislocation dynamics near a free surface and in heteroepitaxial thin films are simulated using an extended version of the nanoscale Phase Field Microelasticity model of dislocations [Acta Mater. 49 (2001) 1847]. The model automatically takes into account the effect of image forces on dislocation motions. In particular, the operations of Frank–Read sources in epitaxial films grown on infinitely thick and relatively thin substrates are investigated. The simulation reveals different misfit dislocation behaviors at the interface. Its implication on the interface susceptibility to crack nucleation is discussed.     

Magnetic domain structures in Co–Ni–Al shape memory alloys studied by Lorentz microscopy and electron holography

Magnetic domain structures in recently developed Co–Ni–Al ferromagnetic shape memory alloys were examined by Lorentz microscopy and electron holography, and relations of the martensite variants (crystallographic domains) and the magnetic domains were discussed. Direct observations of the magnetic domain walls by Lorentz microscopy and the magnetic lines of force by electron holography revealed that each martensite variant was divided into fine magnetic domains under a low magnetic field, e.g. about 0.2 mT. Although an applied magnetic field of about 0.4 T made each variant a large single magnetic domain, a similar configuration of multiple magnetic domains to the previous one appeared when the applied field was removed. In situ Lorentz microscopy studies have demonstrated that magnetic domain structures are sensitive to the crystal structure and/or microstructure in Co–Ni–Al alloys, i.e. a magnetic domain structure favorable to the parent phase is not inherited to the parent phase, but a distinct domain structure is observed in the martensitic phase.     

Elevated temperature strength and thermal shock behavior of hot-pressed carbon fiber reinforced TiC composites

In order to improve the elevated strength and thermal shock resistance of TiC materials, 20vol% short carbon fiber-reinforced TiC composite (C_f/TiC) was produced by hot pressing. With carbon fiber addition, the strength and fracture toughness of TiC is increased remarkably, and the elastic modulus and thermal expansion coefficient are decreased. The strength value of C_f/TiC composite is 593 MPa at room temperature and 439 MPa at 1400°C, and the fracture toughness value at room temperature is 6.87 MPa m^1/2. The thermal stress fracture resistance parameter, R, thermal stress damage resistance parameter, R^IV, and thermal stress crack stability parameter, R_st, are all increased. The residual strength decreases significantly when the thermal shock temperature difference, ΔT, is higher than 900°C, and the residual strength is 252 MPa when ΔT is 1400°C. Carbon fiber reinforced-TiC composite exhibits superior resistance to thermal shock damage compared with monolithic TiC. The catastrophic failure induced by severe thermal stresses can be prevented in C_f/TiC composite.     

选择吸附脱硫研究进展

燃油中的含硫化合物在高温燃烧时生成的硫氧化物是大气中主要的污染物之一,对环境和人类健康有极大的危害。本文介绍了目前所发展的燃油脱硫的常用方法,重点阐述了吸附脱硫技术的研究进展。首先对吸附脱硫剂的开发现状进行了介绍,对目前发展的多种吸附脱硫剂包括活性炭、金属有机物框架、表面分子印迹聚合物、无机吸附剂的吸附脱硫量、选择吸附性、吸附影响因素进行了深入分析,总结了不同吸附剂的脱硫机理,并对不同吸附剂的再生方法、再生后的吸附效果进行了概述和评价。随后对比总结了这几类吸附剂的优缺点。最后介绍了目前吸附脱硫技术所存在的问题,指出开发在非硫化合物存在的情况下对含硫有机物具有高选择性、再生性能好的吸附脱硫剂是未来的发展趋势。     

CMAS corrosion resistance in high temperature and rainwater environment of double-layer thermal barrier coatings odified by rare earth

In order to explore the difference of CMAS corrosion resistance in high temperature and rainwater environment of single-layer and double-layer thermal barrier coatings (TBCs), and further reveal the mechanism of CMAS corrosion resistance in above environment of double-layer TBCs modified by rare earth, two TBCs were prepared by air plasma spraying, whose ceramic coating were single-layer ZrO₂–Y₂O₃ (YSZ) and double-layer La₂Zr₂O₇(LZ)/YSZ, respectively. Subsequently, CMAS corrosion resistance tests at 1200 °C and rainwater environment of two TBCs were carried out. Results demonstrate that after high temperature CMAS corrosion for the same time, due to phase transformation, the volume of YSZ ceramic coating in single-layer TBCs shrank and surface cracks formed, which would lead to coating failure. When LZ ceramic coating of double-layer TBCs reacted with CMAS, compact apatite phases and fluorite phases formed, the penetration of CMAS into ceramic coating was inhibited effectively. Raman analysis and calculation results show that both of the surface residual stress of ceramic coating in two TBCs were compressive stress, and the residual stress of ceramic coating in double-layer TBCs were smaller than that of single-layer TBCs. Atomic force microscopy of TBCs after CMAS corrosion show that surface of double-layer TBCs was more uniform and compact than that of single-layer TBCs. The electrochemical properties in simulated rainwater of two TBCs after high temperature CMAS corrosion showed that double-layer TBCs possessed higher free corrosion potential, lower corrosion current and higher polarization resistance than those of single-layer TBCs. Consequently, the presence of LZ ceramic coating effectively improved CMAS corrosion resistance in high temperature and rainwater environment of double-layer TBCs.     

Enhanced photocatalytic activity by tailoring the interface in TiO2–ZrTiO4 heterostructure in TiO2–ZrTiO4–SiO2 ternary system

To clarify the interfacial structural of TiO₂–ZrTiO₄ heterostructure and their function in improving the catalytic behavior, TiO₂–ZrTiO₄–SiO₂ photocatalyst with mesoporous structure, a large surface area (188.54 m²g^-1) and an appropriate band gap energy (3.06 eV) was synthesized by in-situ reaction between TiO₂ and ZrO₂ at 800 °C in TiO₂–ZrO₂–SiO₂ ternary system. The concomitant effects of loading amount of TiO₂ and calcination temperatures on the interfacial interaction, and the corresponding interfacial effects on the photodegradation performance of the catalyst were investigated. Results show that an optimal amount of TiO₂ is crucial in affecting the degree of interfacial interactions. Photocatalytic activity is significantly enhanced with the strong interfacial interaction between TiO₂ and ZrTiO₄ by forming heterojunction. A higher amount of TiO₂ and calcination temperature will lead to the decrease in BET value, increase in pore size and band gap value, as well as the coarsening and aggregation of particles which exhibit negative influence on the interfacial interaction between TiO₂ and ZrTiO₄. In the photodegradation process, the prepared catalyst with a appropriate TiO₂ molar ratio (Ti:Zr:Si, 5:1:6) exhibited a RhB-adsorption of 60.7% in dark reaction, and a degradation rate of 95% after visible light irradiation for 60 min. In addition, the probable degradation mechanism for the improvement in the degradation efficiency was discussed in detail.     

Dielectric response and energy storage efficiency of low content TiO2-polymer matrix nanocomposites

TiO₂/epoxy nanocomposites were prepared at different filler concentrations varying from 3 to 12 phr (parts per hundred resin per weight). The dispersion of TiO₂ was examined by Scanning Electron Microscopy and proved to be adequate. Differential Scanning Calorimetry was implemented to determine the glass to rubber transition temperature of the polymer matrix. The dielectric analysis was performed via Broadband Dielectric Spectroscopy in a wide frequency and temperature range. Five different mechanisms were observed in the spectra of the examined composites which are identified, in terms of increasing temperature at constant frequency, as γ, β, Intermediate Dipolar Effect (IDE), α and Interfacial Polarization (IP) relaxation modes. The activation energies of all relaxation modes were calculated. Finally, the dielectric response of the TiO₂ nanocomposites compared to that of the TiO₂ microcomposites reveals that the former exhibit significantly higher energy storage efficiency even at lower TiO₂ concentration than the corresponding of the microcomposites.     

Enthalpies of formation of selected Pd2YZ Heusler compounds

Standard enthalpies of formation of selected ternary Pd-based Heusler type compositions Pd₂YZ (Y = Cu, Hf, Mn, Ti, Zr; Z = Al, Ga, In, Ge, Sn) were measured using high temperature direct synthesis calorimetry. The measured enthalpies of formation (in kJ/mole of atoms) of the Heusler compounds are, Pd₂HfAl (−81.6 ± 2.4); Pd₂HfGa (−79.9 ± 2.9); Pd₂HfIn (−76.4 ± 1.4); Pd₂HfSn (−77.6 ± 1.6); Pd₂MnSn (−54.6 ± 3.1); Pd₂TiGa (−65.6 ± 3.6); Pd₂TiIn (−69.9 ± 2.1); Pd₂TiSn (−78.6 ± 2.4); Pd₂ZrAl (−85.3 ± 3.0); Pd₂ZrGa (−76.2 ± 1.9); Pd₂ZrIn (−85.1 ± 3.9); Pd₂ZrSn (−92.2 ± 3.1); for the B2 compounds, Pd₂MnAl (−87.1 ± 3.0); Pd₂MnGa (−54.5 ± 1.7); Pd₂MnIn (−41.0 ± 2.5); Pd₂TiAl (−81.4 ± 1.9); for the tetragonal compound Pd₂CuAl (−55.2 ± 3.0) and for the orthorhombic compound Pd₂CuSn (−43.1 ± 2.3). Values were compared with those from published first principles calculation and the Open Quantum Materials Database (OQMD). Lattice parameters of these compounds were determined by X-ray diffraction analysis (XRD). Microstructures were identified using scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS). Selected alloys were annealed at various temperatures to investigate phase transformations and phase relationships.     

Improvement in thermal shock resistance of gadolinium zirconate coating by addition of nanostructured yttria partially-stabilized zirconia

Gadolinium zirconate (Gd₂Zr₂O₇, GZ) as one of the promising thermal barrier coating materials for high-temperature application in gas turbine was toughened by nanostructured 3 mol% yttria partially-stabilized zirconia (YSZ) incorporation. The fracture toughness of the composite of 90 mol% GZ-10 mol% YSZ (GZ–YSZ) was increased by about 60% relative to the monolithic GZ. Both the GZ and GZ–YSZ composite coatings were deposited by atmospheric plasma spraying on Ni-base superalloys and then thermal-shock tested under the same conditions. The thermal-shock lifetime of GZ–YSZ composite coating was improved, which is believed to be mainly attributed to the enhancement of fracture toughness by the addition of YSZ. In addition, the failure mechanisms of the thermal-shock tested GZ–YSZ composite coatings were discussed.