Theoretical study on thin-film formation by parallel molecular dynamics simulation

Chemical vapor deposition is gradually emphasized as one promising method of nanomaterial formation. Such growth mechanism has been mainly investigated on basis of experiment. Due to large cost of experiment and low level of current measurement, the comprehension about effect of formation condition on properties of nanomaterial is limited in qualitative manner. Two quantitative items: adhesion between cluster and substrate, and degree of epitaxial growth were proposed to evaluate the property of thin film. In this simulation, three different cluster sizes of 203, 653, 1563 atoms with different velocities (0, 10, 100, 1000, 3000 m/s) were deposited on Cu (0 0 1) substrate whose temperature was set between 300 and 1000 K. Within one velocity range, not only the speed of epitaxial growth and adhesion of thin film were enhanced, but also the degree of epitaxy increased with velocity increasing. Moreover, the epitaxial growth became well as the temperature of substrate was raised within a certain range, and the degree of epitaxy of small cluster was larger than larger cluster. The results indicated that the property of thin film could be controlled if the effect of situations of process was made clear.     

Densification behavior,doping profile and planar waveguide laser performance of the tape casting YAG/Nd:YAG/YAG ceramics

The sintering behavior and doping concentration profile of the planar waveguide YAG/Nd:YAG/YAG ceramics by the tape casting and solid-state reaction method were investigated on the basis of densification trajectory, microstructure evolution, and Nd³⁺ ions diffusion. The porosity of the green body by tape casting and cold isostatic pressing is about 38.6%. And the green bodies were consolidated from 1100 °C to 1800 °C for 0.5–20 h to study the densification and the doping diffusion behaviors. At the temperature higher than 1500 °C, pure YAG phase is formed, followed by the densification and grain growth process. With the increase of temperature, two sintering stages occur, corresponding to remarkable densification and significant grain growth, respectively. The mechanism controlling densification at 1550 °C is grain boundary diffusion. The diffusion of Nd³⁺ ions is more sensitive to temperature than the sintering time, and the minimum temperature required for the obvious diffusion of Nd³⁺ ions is higher than 1700 °C. Finally, planar waveguide YAG/1.5 at.%Nd:YAG/YAG transparent ceramics with in-line transmittance of 84.8% at 1064 nm were obtained by vacuum-sintering at 1780 °C for 30 h. The fluorescence lifetime of ⁴F_3/2 state of Nd³⁺ in the specimen is about 259 μs. The prepared ceramic waveguide was tested in a laser amplifier and the laser pulse was amplificated from 87 mJ to 238 mJ, with the pump energy of 680 mJ.     

Phase formation in porous liquid phase sintered silicon carbide: Part I:: Interaction between Al2O3 and SiC

The structure and phase formation of porous liquid phase sintered silicon carbide (porous LPS-SiC), containing yttria and alumina additives have been studied. The present paper is focused on the system Al–Si–C–O, which is part of the system describing the interactions with sintering additives.The influence of different sintering atmospheres, namely argon and Ar/CO, and different temperatures on structure and composition was investigated by XRD and SEM. Additionally, reaction products were calculated from thermodynamic data and correlated with experimentally determined reaction products. Alumina and SiC reacted at 1950 °C in an argon atmosphere, forming a metal melt of aluminium and silicon. No reduction of Al₂O₃ was observed in a CO-containing argon sintering atmosphere.In the second and third parts of this paper the interactions between Y₂O₃–SiC and Y₂O₃–Al₂O₃–SiC are analysed [J. Eur. Ceram. Soc. (in press), parts II and III].     

The effect of external electric field on the performance of perovskite solar cells

Planar heterojunction perovskite solar cells were fabricated through a low temperature approach. We find that the device performance significantly depends on the external bias before and during measurements. By appropriate optimization of the bias conditions, we could achieve an 8-fold increase in the power conversion efficiency. The significant improvement in device performance might be caused by the ion motion in the perovskite under the external electric field.     

Zinc-free varnishes and zinc-rich paints modified with ionic liquids

The corrosion protection of a steel substrate using zinc-rich epoxy–alkyd paints (ZRPs) modified with either 1-hexyl-3-methylimidazolium hexafluorophosphate (HMIMPF₆) or 1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide (BMPyrrTFSI) has been investigated. Additionally, the influence of ionic liquids (ILs) on the corrosion process of uncoated steel and zinc as well as on electrical features of zinc-free varnishes has been evaluated. The pyrrolidinium IL significantly reduces the corrosion rates of steel and zinc but the ZRPs with HMIMPF₆ offer better cathodic protection of steel than unmodified ZRP and ZRPs with BMPyrrTFSI. The electrical conductivity of IL is not critical for the protective features of ZRP.     

Structural and electrochemical studies of Ba0.6Sr0.4Co1−yTiyO3−δ as a new cathode material for IT-SOFCs

The influence of titanium doping level in Ba_0.6Sr_0.4Co_1−yTi_yO_3−δ (BSCT) oxides on their phase structure, electrical conductivity, thermal expansion coefficient (TEC), and single-cell performance with BSCT cathodes has been investigated. The incorporation of Ti can lead to the phase transition of Ba_0.6Sr_0.4CoO_3−δ from hexagonal to cubic structure. The solid solution limitation of Ti in Ba_0.6Sr_0.4Co_1−yTi_yO_3−δ is 0.15–0.3 under 1100 °C. BSCT shows a small polaron conduction behavior and the electrical conductivity increases steadily in the testing temperature range (300–900 °C), leading to a relatively high conductivity at high temperatures. The electrical conductivity decreases with increasing Ti content. The addition of Ti deteriorates the cathode performance of BSCT slightly but decreases the TEC significantly. The TEC of BSCT is about 14 × 10⁻⁶ K⁻¹, which results in a good physical compatibility of BSCT with Gd_0.2Ce_0.8O_2−δ (GDC) electrolyte. BSCT also shows excellent thermal cyclic stability of electrical conductivity and good chemical stability with GDC. These properties make BSCT a promising cathode candidate for intermediate temperature solid oxide fuel cells (IT-SOFCs).     

Carbon dioxide activated carbide-derived carbon monoliths as high performance adsorbents

Carbide-derived carbon (CDC) monoliths (DUT-38) with a distinctive macropore network are physically activated using carbon dioxide as oxidizing agent. This procedure is carried out in a temperature range between 850 and 975 °C with durations ranging from 2 to 6 h. Resulting materials show significantly increased specific surface areas as high as 3100 m²/g and total (micro/meso) pore volumes of more than 1.9 cm³/g. The methane (214 mg/g at 80 bar/25 °C), hydrogen (55.6 mg/g at 40 bar/−196 °C), and n-butane (860 mg/g at 77 vol.%/25 °C) storage capacities of the activated CDCs are significantly higher as compared to the non-activated reference material. Moreover, carbon dioxide activation is a suitable method for the removal of metal chlorides and chlorine residuals adsorbed in the pores of CDC after high temperature chlorination. The activation does not influence the hydrophobic surface properties of the CDCs as determined by water adsorption experiments. The macropore network and the monolithic shape of the starting materials can be fully preserved during the activation procedure. n-Butane breakthrough studies demonstrate the materials applicability as an efficient hydrophobic filter material by combining excellent materials transport with some of the highest capacity values that have ever been reported for CDCs.     

Evaluation of natural rubber latex-based PSAs containing aliphatic hydrocarbon tackifier dispersions with different softening points—Adhesive properties at different conditions

Natural rubber latex-based water–borne pressure sensitive adhesives (PSAs) have been formulated with three aliphatic hydrocarbon water-based dispersions (varying softening points) at two different resin addition levels (25% and 50%). Time–temperature superposition analysis using WLF approximations for adhesive peel has revealed that the adhesives formulated with 50% resin addition level show good adhesive behavior. It has also been determined from time–temperature superposition analysis that peel force increases systematically with softening point and peel rate. Correlation of viscoelastic behavior with adhesive properties suggests that at least 50% resin addition level is needed to bring the natural rubber-based formulations into PSA criteria as defined by Dahlquist and others. Adhesive property evaluations performed on a high surface energy substrate (stainless steel) and low surface energy substrate (LDPE) suggested that optimum tack, peel and shear properties at room temperature were obtained for a formulation containing a higher softening point dispersion (95 °C) at 50% resin addition level. Adhesive peel and tack tend to follow softening point trends as well. A 25% tackifier dispersion addition level did not provide any significant adhesion. Humid aging (50 °C and 100% relative humidity) evaluations of the water–borne adhesives seem to correlate well with the room temperature adhesive property observations.     

Reduced graphene oxide deposited carbon fiber reinforced polymer composites for electromagnetic interference shielding

Reduced graphene oxide deposited carbon fiber (rGO-CF) was prepared by introducing GO onto CF surface through electrophoretic deposition method, following by reducing the GO sheets on CF with NaBH₄ solution. The rGO-CF was found to be more effective than CF to improve the electromagnetic interference (EMI) shielding property of unsaturated polyester (UP) based composites. With 0.75% mass fraction of rGO-CF, the shielding effectiveness of the composite reached 37.8 dB at the frequency range of 8.2–12.4 GHz (x-band), which had 16.3% increase than that of CF/UP composite (32.5 dB) in the same fiber mass fraction. The results suggest that rGO-CF is a good candidate for the use as a light-weight EMI shielding material.     

In situ observations of microscale damage evolution in unidirectional natural fibre composites

Synchrotron X-ray tomographic microscopy (XTM) has been used to observe in situ damage evolution in unidirectional flax fibre yarn/polypropylene composites loaded in uniaxial tension at stress levels between 20% and 95% of the ultimate failure stress. XTM allows for 3D visualization of the internal damage state at each stress level. The overall aim of the study is to gain a better understanding of the damage mechanisms in natural fibre composites. This is necessary if they are to be optimized to fulfil their promising potential. Three dominating damage mechanisms have been identified: (i) interface splitting cracks typically seen at the interfaces of bundles of unseparated fibres, (ii) matrix shear cracks, and (iii) fibre failures typically seen at fibre defects. Based on the findings in the present study, well separated fibres with a low number of defects are recommended for composite reinforcements.