Metal-organic chemical vapor-deposited cobalt oxide films as negative electrodes for thin film Li-ion battery

In this study, thin films of cobalt oxide (Co3O4) have been grown by the metal-organic chemical vapor deposition (MOCVD) technique on stainless steel substrate at two preferred temperatures (450 degrees C and 500 degrees C), using cobalt acetylacetonate dihydrate as precursor. Spherical as well as columnar microstructures of Co3O4 have been observed under controlled growth conditions. Further investigations reveal these films are phase-pure, well crystallized and carbon-free. High-resolution TEM analysis confirms that each columnar structure is a continuous stack of minute crystals. Comparative study between these Co3O4 films grown at 450 degrees C and 500 degrees C has been carried out for their application as negative electrodes in Li-ion batteries. Our method of electrode fabrication leads to a coating of active material directly on current collector without any use of external additives. A high specific capacity of 1168 micro Ah cm(-2) mu m(-1) has been measured reproducibly for the film deposited at 500 degrees C with columnar morphology. Further, high rate capability is observed when cycled at different current densities. The Co3O4 electrode with columnar structure has a specific capacity 38% higher than the electrode with spherical microstructure (grown at 450 degrees C). Impedance measurements on the Co3O4 electrode grown at 500 degrees C also carried out to study the kinetics of the electrode process. (C) 2014 Published by Elsevier B.V.

Influence of plate length and plate cooling rate on solidification and microstructure of A356 alloy produced by oblique plate

A356 alloy melt solidifies partially when it flows down on an oblique plate cooled from bottom by counter flowing water. Columnar dendrites are continuously formed on the plate wall. Because of the forced convection, these dendrites are sheared off into equiaxed/fragmented grains and then washed away continuously by producing semisolid slurry at plate exit. Plate cooling rate provides required extent/amount of solidification whereas plate length enables necessary shear for producing semisolid slurry of desired quality. Slurry obtained is solidified in metal mould to produce semisolid-cast billets of desired microstructure. Furthermore, semisolid-cast billets are also heat-treated to improve surface quality. Microstructures of both semisolid-cast and heat-treated billets are compared. The effects of plate length and plate cooling rate on solidification and microstructure of billets produced by using oblique plate are illustrated. Three different plate lengths (200 mm, 250 mm, 300 mm) associated with three different heat transfer coefficients (1000, 2000 and 2500 W/(m(2).K)) are involved. Plate length of 250 mm with heat transfer coefficient of 2000 W/(m(2).K) gives fine and globular microstructures and is the optimum as there is absolutely no possibility of sticking of slurry to plate wall.

Differential response of cholesterol based pyrimidine systems with oxyethylene type spacers to gelation and mesogen formation in the presence of alkali metal ions

A new series of lipophilic cholesteryl derivatives of 2,4,6-trichloro-pyrimidine-5-carbaldehyde has been synthesized. Oxyethylene spacers of variable lengths were inserted between the hydrogen bonding promoting pyrimidine core and the cholesteryl tail in order to understand their effect on the selfassembly of these compounds. Only compound 1a with the shortest spacer formed a gel in organic solvents such as n-butanol and n-dodecane. While other members (1b and c) having longer spacers led to sol formation and precipitation in n-butanol and n-dodecane respectively. The self-assembly phenomena associated with the gelation process were investigated using temperature-dependent UVVis and CD-spectroscopy. The morphological features of the freeze-dried gels obtained from different organic solvents were examined by scanning electron microscopy (SEM) and atomic force microscopy (AFM). The solid phase behaviours of these molecules and their associated alkali metal ion complexes were explored using polarized optical microscopy (POM) and differential scanning calorimetry (DSC). The molecular arrangements in the xerogel and in the solid state were further probed using a wide-angle Xray diffraction (WAXD) technique. Analysis of the wide-angle X-ray diffraction data reveals that this class of molecules adopts a hexagonal columnar organization in the gel and in the solid state. Each slice of these hexagonal columnar structures is composed of a dimeric molecular-assembly as a building block. Significant changes in the conformation of the oxyethylene chains could be triggered via the coordination of selected alkali metal ions. This led to the production of interesting metal ion promoted mesogenic behaviour.

Influence of substrate temperature on structure, microstructure and magnetic properties of sputtered Fe-Ga thin films

This paper reports the structure, microstructure and magnetic properties of Fe-Ga thin films deposited using DC magnetron sputtering technique on Si(100) substrate kept at different temperatures. Structural studies employing X-ray diffraction and TEM revealed the presence of only disordered A2 phase in the film. Columnar growth of nanocrystalline grains from the substrate was observed in the film deposited at room temperature. With increase in substrate temperature the grain size as well as surface roughness was found to increase. The magnetization of the films deposited at higher substrate temperatures were Found to saturate at lower magnetic held as compared to the room temperature deposited Film. Coercivity was found to decrease with increasing substrate temperature upto a minimum value of similar to 2 Oe for the film deposited at 450 degrees C and with further increase in substrate temperature it was found to increase. A maximum magnetostriction of 200 mu-strains was also observed for the film deposited at 450 degrees C. (C) 2015 Elsevier B.V. All rights reserved

Performance of WRF-Chem over Indian region: Comparison with measurements

The aerosol mass concentrations over several Indian regions have been simulated using the online chemistry transport model, WRF-Chem, for two distinct seasons of 2011, representing the pre-monsoon (May) and post-monsoon (October) periods during the Indo-US joint experiment `Ganges Valley Aerosol Experiment (GVAX)'. The simulated values were compared with concurrent measurements. It is found that the model systematically underestimates near-surface BC mass concentrations as well as columnar Aerosol Optical Depths (AODs) from the measurements. Examining this in the light of the model-simulated meteorological parameters, we notice the model overestimates both planetary boundary layer height (PBLH) and surface wind speeds, leading to deeper mixing and dispersion and hence lower surface concentrations of aerosols. Shortcoming in simulating rainfall pattern also has an impact through the scavenging effect. It also appears that the columnar AODs are influenced by the unrealistic emission scenarios in the model. Comparison with vertical profiles of BC obtained from aircraft-based measurements also shows a systematic underestimation by the model at all levels. It is seen that concentration of other aerosols, viz., dust and sea-salt are closely linked with meteorological conditions prevailing over the region. Dust is higher during pre-monsoon periods due to the prevalence of north-westerly winds that advect dust from deserts of west Asia into the Indo-Gangetic plain. Winds and rainfall influence sea-salt concentrations. Thus, the unrealistic simulation of wind and rainfall leads to model simulated dust and sea-salt also to deviate from the real values; which together with BC also causes underperformance of the model with regard to columnar AOD. It appears that for better simulations of aerosols over Indian region, the model needs an improvement in the simulation of the meteorology.

Numerical study of solidification of A356 aluminum alloy flowing on an oblique plate with experimental validation

Molten A356 aluminum alloy flowing on an oblique plate is water cooled from underneath. The melt partially solidifies on plate wall with continuous formation of columnar dendrites. These dendrites are continuously sheared off into equiaxed/fragmented grains and carried away with the melt by producing semisolid slurry collected at plate exit. Melt pouring temperature provides required solidification whereas plate inclination enables necessary shear for producing slurry of desired solid fraction. A numerical model concerning transport equations of mass, momentum, energy and species is developed for predicting velocity, temperature, macrosegregation and solid fraction. The model uses FVM with phase change algorithm, VOF and variable viscosity. The model introduces solid phase movement with gravity effect as well. Effects of melt pouring temperature and plate inclination on hydrodynamic and thermo-solutal behaviors are studied subsequently. Slurry solid fractions at plate exit are 27%, 22%, 16%, and 10% for pouring temperatures of 620 degrees C, 625 degrees C, 630 degrees C, and 635 degrees C, respectively. And, are 27%, 25%, 22%, and 18% for plate inclinations of 30, 45, 60, and 75, respectively. Melt pouring temperature of 625 degrees C with plate inclination of 60 generates appropriate quality of slurry and is the optimum. Both numerical and experimental results are in good agreement with each other. (C) 2015 Taiwan Institute of Chemical Engineers. Published by Elsevier B.V. All rights reserved.

Molecular structure of the discotic liquid crystalline phase of hexa-peri-hexabenzocoronene/oligothiophene hybrid and their charge transport properties

Using atomistic molecular dynamics simulation, we study the discotic columnar liquid crystalline (LC) phases formed by a new organic compound having hexa-peri-Hexabenzocoronene (HBC) core with six pendant oligothiophene units recently synthesized by Nan Hu et al. Adv. Mater. 26, 2066 (2014)]. This HBC core based LC phase was shown to have electric field responsive behavior and has important applications in organic electronics. Our simulation results confirm the hexagonal arrangement of columnar LC phase with a lattice spacing consistent with that obtained from small angle X-ray diffraction data. We have also calculated various positional and orientational correlation functions to characterize the ordering of the molecules in the columnar arrangement. The molecules in a column are arranged with an average twist of 25 degrees having an average inter-molecular separation of similar to 5 angstrom. Interestingly, we find an overall tilt angle of 43 degrees between the columnar axis and HBC core. We also simulate the charge transport through this columnar phase and report the numerical value of charge carrier mobility for this liquid crystal phase. The charge carrier mobility is strongly influenced by the twist angle and average spacing of the molecules in the column. (C) 2015 AIP Publishing LLC.

On the control of rapidly rotating convection by an axially varying magnetic field

The magnetic field in rapidly rotating dynamos is spatially inhomogeneous. The axial variation of the magnetic field is of particular importance because tall columnar vortices aligned with the rotation axis form at the onset of convection. The classical picture of magnetoconvection with constant or axially varying magnetic fields is that the Rayleigh number and wavenumber at onset decrease appreciably from their non-magnetic values. Nonlinear dynamo simulations show that the axial lengthscale of the self-generated azimuthal magnetic field becomes progressively smaller as we move towards a rapidly rotating regime. With a small-scale field, however, the magnetic control of convection is different from that in previous studies with a uniform or large-scale field. This study looks at the competing viscous and magnetic mode instabilities when the Ekman number E (ratio of viscous to Coriolis forces) is small. As the applied magnetic field strength (measured by the Elsasser number Lambda) increases, the critical Rayleigh number for onset of convection initially increases in a viscous branch, reaches an apex where both viscous and magnetic instabilities co-exist, and then falls in the magnetic branch. The magnetic mode of onset is notable for its dramatic suppression of convection in the bulk of the fluid layer where the field is weak. The viscous-magnetic mode transition occurs at Lambda similar to 1, which implies that small-scale convection can exist at field strengths higher than previously thought. In spherical shell dynamos with basal heating, convection near the tangent cylinder is likely to be in the magnetic mode. The wavenumber of convection is only slightly reduced by the self-generated magnetic field at Lambda similar to 1, in agreement with previous planetary dynamo models. The back reaction of the magnetic field on the flow is, however, visible in the difference in kinetic helicity between cyclonic and anticyclonic vortices.

Atomistic Simulation of Stacked Nucleosome Core Particles: Tail Bridging, the H4 Tail, and Effect of Hydrophobic Forces

We report the first atomistic simulation of two stacked nucleosome core particles (NCPs), with an aim to understand, in molecular detail, how they interact, the effect of salt concentration, and how different histone tails contribute to their interaction, with a special emphasis on the H4 tail, known to have the largest stabilizing effect on the NCP-NCP interaction. We do not observe specific K16-mediated interaction between the H4 tail and the H2A-H2B acidic patch, in contrast with the findings from crystallographic studies, but find that the stacking was stable even in the absence of this interaction. We perform simulations with the H4 tail (partially/completely) removed and find that the region between LYS-16 and LYS-20 of the H4 tail holds special importance in mediating the inter-NCP interaction. Performing similar tail-clipped simulations with the H3 tail removed, we compare the roles of the H3 and H4 tails in maintaining the stacking. We discuss the relevance of our simulation results to the bilayer and other liquid-crystalline phases exhibited by NCPs in vitro and, through an analysis of the histone-histone interface, identify the interactions that could possibly stabilize the inter-NCP interaction in these columnar mesophases. Through the mechanical disruption of the stacked nucleosome system using steered molecular dynamics, we quantify the strength of inter-NCP stacking in the presence and absence of salt. We disrupt the stacking at some specific sites of internucleosomal tail-DNA contact and perform a comparative quantification of the binding strengths of various tails in stabilizing the stacking. We also examine how hydrophobic interactions may contribute to the overall stability of the stacking and find a marked difference in the role of hydrophobic forces as compared with electrostatic forces in determining the stability of the stacked nucleosome system.

Elastodynamic erosion of thermal barrier coatings

The finite element method is used to analyze the elastodynamic response of a columnar thermal barrier coating due to normal impact and oblique impact by an erosive particle. An assessment is made of the erosion by crack growth from preexisting flaws at the edge of each column: it is demonstrated that particle impacts can be sufficiently severe to give rise to columnar cracking. First, the transient stress state induced by the normal impact of a circular cylinder or a sphere is calculated in order to assess whether a 2D calculation adequately captures the more realistic 3D behavior. It is found that the transient stress states for the plane strain and axisymmetric models are similar. The sensitivity of response to particle diameter and to impact velocity is determined for both the cylinder and the sphere. Second, the transient stress state is explored for 2D oblique impact by a circular cylindrical particle and by an angular cylindrical particle. The sensitivity of transient tensile stress within the columns to particle shape (circular and angular), impact angle, impact location, orientation of the angular particle, and to the level of friction is explored in turn. The paper concludes with an evaluation of the effect of inclining the thermal barrier coating columns upon their erosion resistance. © 2011 The American Ceramic Society.

Biología y manejo postcosecha de Pitahaya roja y amarilla (Hylocereus spp., y Selenicereus spp)

Las palabras pitahaya y pitaya se derivan del Taino, una lengua de los pueblos indigenas de los países caribeños y ambas significan fruta esca­mosa. Los frutos de pitahaya crecen sobre un cactus tropical de forma columnar que pertenece a los géneros Stenocereus y Pachycereus. Por otro lado, los frutos de pitahaya crecen sobre un cactus tropical trepador que pertenece a los géneros Hylocereus y Selenicereus. En esta reseña se hará referencia a la biología y manejo postcosecha de los frutos de pitahaya que crecen en cactus de hábito trepador. La pitahaya amarilla (Selenicereus megalanthus) se cultiva en Colombia, Ecuador e Israel. La pitahaya roja, especialmente Hylocereus undatus, es cultivada en 19 países. Los principales países productores de pitahaya son en este orden Vietnam, Colombia, Nicaragua, México e Israel. Los frutos de pitahaya son una buena fuente de minerales, glucosa, fructosa, fibra dietética y vitaminas. La pitahaya es un fruto no climatérico, con tasas de produc­ción de etileno de 0.025 a 0.091 iL.kg-1 hr-1. Los índices de cosecha incluyen: cambio de color de la cáscara, contenido de sólidos solubles, acidez titulable y días después de la floración (mínimo 28 días y máximo 35 días). El daño por congelamiento, daños mecánicos y la pérdida de agua, son los tres principales desórdenes fisiológicos postcosecha que se presentan en los frutos de pitahaya. Se recomienda almacenar los frutos de pitahaya a 7-12°C y 85-90% de humedad relativa. Se necesita más información acerca de la manipulación de la planta de tal manera que florezca durante todo el año, y no solamente unas cuantas veces, para satisfacer la demanda nacional y los mercados internacionales.

Comparative Study Of The Influence Of Natural Convection On Directional Solidification Of Al-3.5 Wt% Ni And Al-7 Wt% Si Alloys

We present numerical simulations of thermosolutal convection for directional solidification of Al-3.5 wt% Ni and Al-7 wt% Si. Numerical results predict that fragmentation of dendrite arms resulting from dissolution could be favored in Al-7 wt% Si, but not in Al-3.5 wt% Ni. Corresponding experiments are in qualitative agreement with the numerical predictions. Distinguishing the two fragmentation mechanisms, namely dissolution and remelting, is critical during experiments on earth, when fluid flow is dominant. (C) 2007 COSPAR. Published by Elsevier Ltd. All rights reserved.

Electrical, electrochemical, and optical characterization of ceria films

Acceptor-doped ceria has been recognized as a promising intermediate temperature solid oxide fuel cell electrode/electrolyte material. For practical implementation of ceria as a fuel cell electrolyte and for designing model experiments for electrochemical activity, it is necessary to fabricate thin films of ceria. Here, metal-organic chemical vapor deposition was carried out in a homemade reactor to grow ceria films for further electrical, electrochemical, and optical characterization. Doped/undoped ceria films are grown on single crystalline oxide wafers with/without Pt line pattern or Pt solid layer. Deposition conditions were varied to see the effect on the resultant film property. Recently, proton conduction in nanograined polycrystalline pellets of ceria drew much interest. Thickness-mode (through-plane, z-direction) electrical measurements were made to confirm the existence of proton conductivity and investigate the nature of the conduction pathway: exposed grain surfaces and parallel grain boundaries. Columnar structure presumably favors proton conduction, and we have found measurable proton conductivity enhancement. Electrochemical property of gas-columnar ceria interface on the hydrogen electrooxidation is studied by AC impedance spectroscopy. Isothermal gas composition dependence of the electrode resistance was studied to elucidate Sm doping level effect and microstructure effect. Significantly, preferred orientation is shown to affect the gas dependence and performance of the fuel cell anode. A hypothesis is proposed to explain the origin of this behavior. Lastly, an optical transmittance based methodology was developed to obtain reference refractive index and microstructural parameters (thickness, roughness, porosity) of ceria films via subsequent fitting procedure.

MOCVD growth and properties of ZnO thin films on LiNbO3 substrates

ZnO thin films were grown on (0001)LiNbO3 substrates by the MOCVD technique. The substrate temperatures during growth were changed from 400 to 600 degrees C. The X-ray diffraction (XRD) pattern of the ZnO film showed a strong [002] reflection peak, and the peak intensity was dependent on substrate temperature. The ZnO columnar grains were highly oriented along the (002) direction when the film processing temperature was 600 degrees C. The optical transmission and PL results also indicated that highest crystalline quality of the ZnO films could be obtained at elevated temperatures. (c) 2005 Elsevier B.V. All rights reserved.

倾斜角沉积技术制备ZnS双折射雕塑薄膜

使用倾斜角沉积（GLAD）的电子束蒸发技术，制备了倾斜角度在60°～85°之间的ZnS双折射雕塑薄膜（STF）。使用X射线衍射（XRD）和扫描电镜（SEM）检测了ZnS薄膜的结晶状态和断面形貌，使用Lamda-900分光光度计测量了薄膜在不同的偏振光入射时的透过率。研究发现，室温下倾斜沉积ZnS薄膜断面为倾斜柱状结构，且薄膜的结晶程度不高。在相同的监控厚度时，随倾斜角度增大，沉积到基片上的薄膜厚度逐渐变小，但仍然大于余弦曲线显示的理论厚度。根据偏振光垂直入射时薄膜的透过光谱计算了不同角度沉积的薄膜的折射率