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By Daoxin Wu

Originated from(C4H9O)4Ti, nano--rutile TiO2 was synthesized by low temperature hydrolysis process in this paper. After being prepared by decomposing ammonium tungstate and covering on the surface of TiO2, TiO2/WO3 were characterized by means of X-ray diffraction(XRD), UV--vis difuse reflectance(DRS), fluorescence spectrum (FS). Results showed that with the increase of the supported concentration of WO3, the reflectance of DRS and the fluorescence spectrum intensity of TiO2/WO3 decreased accordingly, which indicated the powder?s increase in light absorbance and the decrease in luminescence respectively; with the increase of calcined temperature, the reflectance of DRS increased.

Jan 1, 2009

By Huaming Yang

The vanadium-doped SnO2 nanoparticle was synthesized by the co-precipitation reaction and subsequent calcination from the vanadium(III) chloride and tin(IV) chloride. The crystal size, pore size distribution, micrograph and properties of the nanocrystalline powders were examined by differential thermal analysis (DTA), thermogravimetric analysis (TGA), X-ray diffraction (XRD), desorption isotherm (Barrett-Joyner-Halenda method) and transmission electron microscopy(TEM). Thermal treatment of the precipitate powder at 600°C led to the formation of V -SnO2 nanoparticle of -10mm in crystal size. Most of the pores in the nanoparticle are about 5~15nm in diameter. Effect of doped vanadium on the crystal size of the nanopartic1e was discussed.

Jan 1, 2003

By Hua Hou, Xiaofeng Niu, Wei Liang

"The explicit finite difference (EFD) method is used for calculating the casting temperature field during solidification. Because the time step is limited, the computational efficiency of the EFD method is lower. In order to improve the computational efficiency, a fourth-order in space and second-order in time model based on the equivalent specific heat method and the alternating direction implicit (ADI) method is established. The degree of similarity between the simulation results and the experimental results is analyzed. The results show that the simulation results of this high order mathematical model are close to the experimental results.IntroductionThe 3D heat transfer equation of temperature field during solidification process is as the following: [1-3]."

Jan 1, 2013

By L. A. Kazanbayev

The Chelyabinsk Electrolytic Zinc Plant (CEZP) was commissioned in 1935. Over the elapsed years the Plant capacity has been increased from 10 thousand tons of zinc (1935) to 150 thousand tons of zinc (2005). The paper describes the Plant main achievements in production updating for the last 10 years.

Jan 1, 2006

By K. Sadrnezhaad

Industrial and experimental induction furnaces are used for melting various types of iron ingots, returned scraps and DRI sponge pellets to produce high purity cast-iron and steel heats. The lowest consumption of the electrical energy is determined for continuous feeding operation to be 0.3 KWH/Kg for production of cast-iron in 1.5-ton industrial furnace and 0.45 KWH/Kg for production of steel in 25-Kg experimental furnace. The optimum feeding rate for lowest energy consumption is obtained to be 12.5 grams per second for continuous feeding of DRI in 25-Kg induction furnace. Similar measurements show that the optimum size of the DRI pellets is around 8 millimeter.

Jan 1, 1988

By Katsutoshi Komeya

Aluminum nitride(A1N) is a theoretically high thermal conductive ceramic, but is a poor sinterable one because of its covalent bond structure. The densification of A1N had to be done first. It was found in 1968 that rare earth compounds as yttria were an excellent sintering aids. Recently more improvement of conductivity was attained by following effects of yttria: (1) trapping of oxygen in A1N sources to form yttrium aluminates, (2)elimination of the aluminates by heating in carbo-reductive atmosphere. Consequently very high thermal conductivity of up to 270W/mK has been developed. Thus A1N applications for substrates and packages have been opened.

Jan 1, 1992

By K. S. Han, M. Yoshimuura, H. Fujita, Y. Sato, S. W. Song

"Film of LlCoO2 as cathode material for rechargeable lithium microbatteries has been fabricated on the platinum metal substrate by electrochemical-hydrothermal method in concentrated LiOH solution at 200 °C as Soft Solution-Processing. The film fabrication has been understood in terms of dissolution of cobalt metal powders and subsequent oxidative deposition on the substrate. The film structure was characterized using scanning electron microscope, X-ray diffraction analysis; X-ray photoelectron spectroscopy and micro-Raman spectroscopy.IntroductionRapid growth of wireless communications and emerging integrated optoelectronic circuits caused the miniaturization· cif electronic devices, thus the demand for high energy density microbatteries as a power source for the microelectronics increases. In this regard, all solid-state lithium microbatteries including LiCoO2 and LlMn2O 4 [l-4], the most promising intercalation cathode material, have been developed. However, major difficulty of .fabrication of a lithium microbattery arose from the preparation of cathode film, according to a· recent report on Rare Metal News [5]. Although many attempts have been made to deposit the cathode films, all those methods are mostly chemical vapor deposiiton (CVD), various evaporation, sputtering techniques and spray pyrolysis. These methods require preparation of bulk cathode materials cir its precursor, then deposition with complicated instruments including high· vacuum system, and even postsynthesis annealing to obtain desire electrochemical 'properties. It is clear that all of these techniques are neither economic nor environmentally friendly. Compared to those methods, film form.ation from an aqueous solution is thought to be simpler and more economical, and requires much· less energy consumption. Our .group has demonstrated the utility of Soft SolutionProcessing [6,7], which is defined as environmentally friendly processing using (aqueous) solutions, to produce films of a variety of functional solid materials. According to the Pourvaix's diagram [8], some metal can be dissolved in an alkaline solution and consequently combined with hydroxyl group or oxygen anion forming metalate or metalite. Cobalt also seemed to form cobaltite, HCoOi in strong alkaline solution in the Pourvaix's pH-potential diagram. Based on this information, it was expected that LiCoO2 could be prepared using the cobalt metal in Li OH solution by Soft Solution-Processing. Recently, we reported the successful single step fabrication of electrochemically active LlCoO2 films on the cobalt metal substrate by hydrothermal methods without any post-synthesis annealing as Soft SolutionProcessing [9,10]. Film formation mechanism could be elucidated by the following evidences. . As expected from Pourvaix's diagram, cobalt metal was dissolved in concentrated LiOH solution forming dissolved cobalt species which was detected by an observation of absorption band in UV-VIS absorption spectrum [10]. Thus the reaction was assumed to be started from dissolution. Time dependent potential of Co electrode exhibited only one-step evolution with 0.6 eV from Co metal to LiCoO2 [10]. Another strong evidence was the finding of LiCoO2 powder precipitates at the bottom of tetlon beaker after the reaction [11]. Based on those experimental findings, it was understood that film is formed by dissolution-precipitation mechanism [9-11]."

Jan 1, 2000

By P. N. Anyalebechi

"The as-cast microstructure of two commercial-size ingots of aluminum alloy 3004 produced by the electromagnetic casting process was quantitatively characterized. This involved the quantitative determination of through-thickness and across-width variations in dendrite cell size, grain size, macrosegregation of alloying elements, interparticle spacing, and the types, volume fractions, and sizes of the constituent or second phase particles. More than ninety-five percent of the constituent phases in the ingots consisted of the A16(Mn,Fe) phase; the desirable a-Al 12(Fe,Mn)3Si phase was not detected in any of the ingots by Guinier X-ray diffraction analyses or electron probe X-ray microanalyses. A significant microstructural heterogeneity through the thickness and across the width of both ingots was observed. For example, macrosegregation, and the sizes of the constituent phase particles, dendrite cells, and grains increased concomitantly from edge to mid-width and from surface to center of the ingots. There was a -20% depletion (negative macrosegregation) of Mg and a +54-87% enrichment (positive macrosegregation) of Ti in the center of the ingots. With the exception of grain size, there was no significant microstructural difference between the two ingots examined. The causes and practical implications of the observed microstructural heterogeneity in the ingots are discussed.IntroductionThe first step in the fabrication of majority of wrought products of aluminum and its alloys is the casting of large ingots or billets of simple shapes (round or rectangular). The sizes of the ingots vary from 10 mm to 450 mm diameter or 25 mm to 780 mm thick. The quality of the finished products is established at the ingot casting stage. This is because the microstructural characteristics, such as secondary dendrite cell size or arm spacing, amount of alloying elements retained in solid solution, macrosegregation, and the characteristics of second phases, produced during casting cannot be reversed by subsequent processing. Up until twenty-five years ago, the effect of as-cast microstructure of large ingots on the structure and behavior of thin sheets (0.34 mm thick) during drawing and ironing processes was incorrectly assumed to be minimal or nonexistent. This was based on the erroneous notion that the thermal treatments and large reduction (>99.94%) and strain that the ingot undergoes during production of the sheets completely destroys the original ingot structure and its inherent heterogeneity. However, the effects of ingot structure can, a priori, be deduced from the observed effects of constituent phase particle size, type and volume fraction on recrystallization, development of texture during annealing and deformation, and earing. In fact, careful examination of the behavior of products produced from different size ingots or castings have shown that the original microstructure of the ingot has a direct impact on the properties and performance of the end products."

Jan 1, 2011

By Seetharama C. Deevi, Mohammad R. Hajaligol, Sarojini Deevi

"Carbides and nitrides of iron are being considered as magnetic materials for high-density recording due to their chemical stability and high-saturation magnetization values (> 100 emu/g). Iron carbides and iron nitrides with magnetic properties suitable for magnetic media were synthesized by employing a novel synthesis procedure based on fluidization of powders in reactive atmospheres. Fluidized-bed reactors of laboratory, bench, and pilot scale were employed for the synthesis of iron carbide, FeSC2, by reducing and carburizing U-Fe203 in the temperature range of 300 to 550 ºC. A temperature of 400· ºC and a reaction time of 2 to 3 h are found to be optimal for the synthesis of iron carbide. When the carburization was carried out in a reducing and carburizing atmosphere such as carbon monoxide, nucleation and growth of FeSC2 occurred directly from Fe304 with no intermediate phases such as FeO or Fe. Longer carburization times resulted in the deposition of carbon on the surfaces of FeSC2 particles due to Boudouard reaction, and higher temperatures favored the formation of a mixture of carbides such as FesC2 and Fe3C. Iron nitrides were synthesized by reducing u-Fe203 in the temperature range of 350 to 550 ºC, followed by nitriding in the temperature range of 350 to 550·ºC. The powders were characterized using X-ray diffraction, scanning electron microscopy, thermogravimetric analyzer, and a vibrating sample magnetometer.IntroductionRecent demand for high-quality recording of optical, electrical, and audio signals generated interest in magnetic tapes with high-recording densities as compared to the conventional magnetic tapes based on U-Fe203. At present, commercially available magnetic tapes contain maghematite, U-Fe203, as a magnetic material with a saturation magnetization of90 emu/g and a coercive force of 400 Oe. Recording of signals at a higher density per unit volume of magnetic material demands magnetic materials with high-saturation magnetization and a reasonable coercive force. Although metallic iron particles possess a saturation magnetization of 130 to 150 emu/g and a high coercive force of 1000 Oe, the gradual oxidation of iron-to-iron oxides (of lower saturation magnetization) prevents the use of iron particles for high-density recording. In contrast, iron carbides such as FesC2, Fe7C3 and iron nitrides such as Fe4N and Fe3N possess excellent magnetic properties coupled with good electrical conductivities and high hardness. The carbides and nitrides of iron have generated significant interest as magnetic materials for the next generation of magnetic tapes due to their unique magnetic properties and relatively greater oxidation resistance as compared to metallic iron particles [1-4]."

Jan 1, 1994

By Masao Miyake, Eiichiro Matsubara, Tetsuji Hirato, Yasuhiro Awakura

"Zn-Cr alloy coating with around 15 wt% Cr has been found to have much higher chemical corrosion-resistance to steel than conventional zinc plating, while· its structure has not been clarified. The Zn-Cr alloy plating is performed at high current densities around 1 A cm-2 and for 10 to 20 sec using acidic aqueous sulfate solutions with some additives in the iron-steel industry. Due to the high current densities, it seems reasonable to consider that the Zn-Cr alloy plating proceeds under an unsteady-state condition and that the resulting coatings have a non-equilibrium phase and have a structure change in the .direction of thickness. In this research, the crystal structure of the Zn-Cr alloy coating electrodeposited at high current densities and change of the structure in the direction of thickness were examined by X-ray diffraction. The coatings containing under 20 and 35-40 wt% Cr had hcp and bee structure, respectively, while the coatings containing 20-35 wt% Cr comprised two phases with the hcp and the bee structure. The structure of the coating varied in the direction of thickness; both the hcp and bcc phases coexisted in the vicinity of the substrate, while the hcp phase became predominant with increasing distance from the substrate.IntroductionRecently it has been reported that Zn-Cr alloy coating containing around 15 wt% Cr has much higher corrosion-resistance to steel than conventional zinc plating.1-3) The corrosion-resistanc·e of Zn-Cr alloy plated steel sheet with a plating amount of 20 g m·2 is, for example, superior to that of Zn plated steel with a plating amount in the range 60 to 90 g m·2 , which is widely used for automotive bodies today.4l The Zn-Cr alloy plating is obtained by electrodeposition at current densities over 0.5 A cm·2 from a sulfate solution containing zinc and trivalent chromium ions and some additives.5•6) The deposition current densities mentioned above are much higher than those for usual electroplating processes, e.g., Zn, Cu and Ni plating, carried out about 0.05 A cm·2 • Therefore, the time required for plating is very short; around 10-20 sec. Due to the high current densities, it seems reasonable to consider that the· Zn-Cr alloy plating proceeds under an unsteady-state condition and that the resulting coatings do not have a phase expected from equilibrium diagrams; no phase diagram of the Zn-Cr system with a full composition range has been available. 7). In other words, the alloy phase plated would be a non-equilibrium phase with unknown structures."

Jan 1, 2000

By Nagahiro Saito, Takashi Nishimura, Takamichi Ichikawa, Akio Fuwa

"Yttria-stabilized zircohia (YSZ) has high potential to be used as solid-oxide fuel cell (SOFC) electrolyte. However, the high efficiency of SOFC has not been yet achieved due to the high internal resistance of bulk electrolyte. The resistance becomes lower with the decrease in the electrolyte thickness. Thus, the decrease in electrolyte thickness leads to lower internal resistance. . The aim of this study is as follows: (a) to prepare the thin films of YSZ by inductively-coupled RF plasma-enhanced metal organic chemical vapor deposition (PEMOCVD) process using Zr(t-OC4H9)4,Y(DPMh and oxygeil, and (b) to reveal the relationship between the structural characterizations and the process parameters.1. IntroductionYttia-stabilized zirconia (YSZ) has, been widely used as not only heat-resistant materials but also the components in automotive oxygen sensors, electrolytes of solid-oxide fuel cell (SOFC)(1)(2) and the buffer layers for the high-temperature superconductor because of its low thermal conductivity, good mechanical properties and high ionic conductivity. However, it is said that the internal resistance of the bulk electrolyte is too high to be appropriate as a solid electrolyte for high-efficient SOFC. The authors believe that the thin YSZ electrolyte can give a high performance to characteristics SOFC, since the internal resistance becomes lower with the decrease of electrolyte thickness. Thus the process technology to prepare YSZ thin films is desirable and must be established.In recent years, the YSZ thin films have been reported by chemical vapor deposition (CVD), thermal CVD using metal chlorides (MC) of ZrCl4 and YC(3)(4), thermal CVD using metal organic compounds (MO)(5)(10) Zr(t-OC4H9)4 and Y(C11H19O2)(11) and plasma-enhanced (PE) CVD using MO. Here, these methods are called MCCVD, MOCVD and PEMOCVD. MCCVD has two disadvantages; a large quantity of chlorinated impurities in deposited films and high processing temperature (> 1273K). This high processing temperature leads to damage of substrates in particular, so the application of this technology is limited. On the other hands, the processing temperature by MOCVD becomes and is lower. Unfortunately, the accurate vapor pressures of these metal organic compounds have not been, known so: that it is difficult to control the composition and the film thickness by MOCVD method well. Moreover, the large amount of carbonic compounds in the films prepared by MOCVD method is produced. However, plasma-effect has been reported to decrease large amount of the carbonic impurities by PEMOCVD. However, PEMOCVD has many reaction parameters in plasma processing; the geometry of experimental apparatus, radio frequency, electronic power input and so on. Thus, the general understanding about the relationship among reaction parameters, the composition and crystal structure of thin deposit film by this method has not yet been established."

Jan 1, 2000

By Yuanbo Zhang, Qian Li, Helei Zhang, Heng Yu, Guanghui Li, Tao Jiang

"Large reserves of specularite iron ores have been found all over the world, which is characterized by high total iron grade, low gangues content, as well as low commercial price. However, it has not been widely used in sinter or pellet production due to its inferior sintering and roasting behaviors. It has shown that the proportion of specularite ores was increased as high as 40%~50% and good results was achieveed by using Composite Agglomeration Process (CAP), an innovative agglomeration process invented by Central South University. But the mineralization of specularite is still unknown during composite agglomeration processing. In this paper, the induration characteristic of specularite ore is studied by simulating CAP in laboratory, as well as microstructure analysis of CAP product. The results show that specularite pellet is mainly indurated through recrystallization of Fe2O3, calcium ferrite within high basicity sinters matrix interweaves with the recrystallized Fe2O3 on the surface of the pellet, which forms an integral microstructure, and ensures high strength of CAP product for ironmaking.IntroductionLarge reserves of specularite iron ores have been found all over the world, especially in Minas Gerais of Brazil, Xuanhua city and Anshan city of China, Elba island of Italy, St.Gotthard of Switzerland, Cumberland of Britannic, and so on. The specularite ores have a smooth surface, as well as a good crystallization and dense texture. When specularite is used to produce pellets, the specularite ore grains are difficult to adhere onto green ball due to its poor ballability. Moreover, specularite pellet requires high roasting temperature over 1300°C [1]. When specularite ore is used in sintering, the permeability of sintering bed gets bad and the quality of sinter is diminished. The practice in a few sintering plants finds that the output and strength of sinter decrease with the increase of specularite proportion, and the consumption of coke increases [2-4]. Therefore, the utilization of specularite has been limited. Composite Agglomeration Process (CAP) is an innovative technology invented by Central South University [5-7]. The process has the following merits: making reasonable utilization of different iron ore resources; improving the quality and output of sinters; manufacturing sinters with low basicity; significantly reducing energy consumption, etc[8-9]. It has been shown that large proportion specularite ores, as high as 40%~50% can be used well by CAP [10], but the mineralization of specularite pellet is still unknown during composite agglomeration processing. In this investigation, the induration characteristics of specularite ore pellets is studied by simulating CAP in laboratory, and the phase composition and microstructure of CAP product are also characterized by using microscope and Leica image analyzer (Germany, Leica DM RXp)."

Jan 1, 2011

By Tomoya Nihei, Hiroshi Hayashi

"A novel selenium removal process called Recycled Green rust/Ferrite Process is developed by MMC. In this process, a mixed Fe2+-Fe3+ hydroxide compound, green rust (GR), reduces selenate to elemental selenium, while GR is consequently oxidized to magnetite Fe3O4. Sequencing batch-mode experiment showed that the residual selenium concentration gradually decreased with the number of batch test increased. Stable selenium removal was achieved when the number of batch test exceed 15 times. Optimum selenium removal ratio reached 99.95% where initial Se concentration 2.1mg/L decreased to 0.001mg/L. Furthermore, the continuous feeding test carried out through a pilot-scale plant with a feeding capacity 600 L/hr. Approximately 860-hour-feeding test was carried out for the selenium-contaminated groundwater which had an averaged selenium concentration of 0.88 mg/L. Selenium concentration in the effluent from thickener maintained less than 0.01 mg/L (selenium removal rate of 99%) until a net operating time reached 800 hours.IntroductionJapan is one of the largest producers of selenium, and thus there are potential environmental impacts of selenium on soil and aquatic environments. The Mitsubishi Material Corporation (MMC) owns some real estate properties whose soil and groundwater was polluted by selenium and other heavy metals. These sites include former industrial plants: a smelter for nonferrous metal and a fabricating semiconductors and pigments. Selenium in aquatic environment commonly exists in four oxidation states, namely, VI, IV, 0 and -II. Selenate ion (SeO4 2-), the most oxidized form of selenium, and selenite ion (SeO3 2-) are highly soluble and mobile. Elemental selenium (Se0) is insoluble in water and therefore has much lower toxicity. Because selenium is carcinogenic and teratogenic at high concentration, the national effluent standard in Japan is fixed at 0.1 mg/L and the environmental standard at 0.01 mg/L. Although there are several selenium removal techniques, the most conventional process is coprecipitation with a ferric hydroxide because of its simplicity and low cost. It is known that selenite is adsorbed strongly on the surface of ferric hydroxide, but selenate is not. The low affinity of selenate on oxide mineral surfaces was demonstrated by the fact that selenate could be easily displaced by adding competing anions, particularly sulfate ion. Selenate removal from polluted water is one of the most difficult techniques, and more effective methods are desired. MMC developed a novel selenium removal process [1]. In this process, the concentrated slurry that contains Fe(II)-Fe(III) hydroxyl-salts known as Green Rusts (GRs) contributes to selenate removal. The main components of the iron precipitate in the reactor are GRs and their oxidation product, magnetite (Fe3O4)."

Jan 1, 2008

By Ladislav Bebar, Tomas Parizek, Radek Dvorak, Petr Stehlik

"More and more sweeping environmental regulations initiate research, development and introducing into operation up to date technologies for cleaning off-gas and flue gas generated in various branches of industry and municipal waste treatment. The following systems based on novel types of equipment are shown: thermal and catalytic treatment of waste gases polluted by VOC (Volatile organic compounds) and carbon monoxide (alternatively NOx), catalytic filtration for efficient destruction of PCDD/F (dioxins) and potentially NOx, wet cleaning of flue gases polluted by SO2, HCl and HF with a original type of homogenizer “O-element”, integrated equipment for cleaning waste gases polluted by solid particulates, SO2, HCl, HF and heavy metals (alternatively NOx or PCDD/F). The outstanding features of all equipment mentioned above are low investment and operating costs together with high removing efficiency of pollutants. These units can be used mainly in incineration plants, refineries and other chemical plants. The paper represents a review based on papers published in reputable international journals and a monograph under preparation as well as on experience from industrial applications.IntroductionIn the recent years, more and more emphasis is put on preserving clean environment. One of the most closely monitored objects of general public attention are exhaust gases, containing a number of undesirable compounds like NOx, CO, SO2, HCl, HF, fly ash a PCDD/F. These harmful species are created in chemical processes mainly in the industry, transport and energy sectors. There is therefore a strong impetus for abatement of these harmful pollutants. Sectors of industry are thus subject to emission regulations specific to various types of units. In the framework of increasing demand for a clean environment, the concerned legislation is becoming increasingly strict and requires removal of pollutants by modern methods that would ensure efficient abatement of emissions at reasonable investment and operating costs.Attention is focused chiefly on methods for decreasing harmful emissions from thermal waste treatment facilities processing industrial and municipal waste that may be subsequently applied in other sectors of industry. Units for the thermal treatment of waste not only provide means of its disposal, but may become also important sources of energy, provided that strict emissions limits are satisfied. Figure 1 compares emission limits given by the legislation for municipal waste incinerators and limits for a selection of energy sources with heat capacity up to 50 MW (see EU regulation 200/76/EC). The Figure implies that the values of emission limits for waste incineration are mostly comparable with emissions from the combustion of natural gas. Thanks to the continuing improvements of the methods for removal of harmful pollutants, the emissions from waste incinerators are typically deep below the limits."

Jan 1, 2008

By Jamil M. Khalifeh, Shadia J. Ikhmayies, Bothina A. Hamad

"The structural and electronic properties of cubic d -NbN are investigated using density functional theory (DFT) and all-electron full potential linearized augmented plane wave method (FPLAPW). The equilibrium structural parameters are determined by fitting the total energy as a function of volume to the Murnaghan's equation of state. We calculated the total and partial densities of states (DOS) and compared them with those computed by different authors. Our DOS at Fermi level is found to be very close to the experimental value. The band structure is computed, discussed and used to find the characteristic energy separations. Valence electron density contours are recorded and discussed. We deduced the partial charge densities of different bands and binding energies of valence core levels and compared them with experimental and theoretical results obtained by different authors.IntroductionNiobium nitride has been intensively investigated over the last decades because of its interesting physical properties and technological applications (superconducting microdevices, microelectronic, catalytic probes, and hard coatings) [l]. While the group IV transition metal nitrides (TMN) mainly crystallize in the cubic NaCl structure (Bl type), those of group V and VI nitrides occur as different phases. Thus for niobium nitride, many phases have been reported in the literature: cubic fcc d -NbN, tetragonal ? -Nb4N3, hexagonal d -NbN, hexagonal e -NbN, and low nitrogen content hexagonal ß -Nb2N [l, 2].Structural and electronic properties of niobium nitride were investigated theoretically and experimentally by many authors. For example, in 1975 Schwarz [3] obtained the partial density of states for NbC and NbN from APW band structure calculations. In 1975 Kallne and Pessa [4] studied the electronic structure of Nb, NbC and NbN by using X-ray emission. In 2003 Amriou et al. [5] studied the electronic structure and bonding mechanism of NbC and NbN compounds using first principle total energy calculations using the full-potential linearized augmented plane wave method. Also in 2006 Sanjines et. al [l] studied the electronic structure of the hexagonal~Nb2N, hexagonal' d -NbN, and cubic d -NbN thin fihns by using X-ray photoemission spectroscopy. They [l] also calculated the densities of states for these phases and used them in the interpretation of the experimental valance band spectra. Most of these studies are old and there is a need for more recent studies. According to our knowledge, there are little comprehensive theoretical studies on this subject by using FP-LAPW method [5], which proved its ability to give accurate results. In this work we used the FP-LAPW method to study the structural and electronic properties of the cubic (fee) o-NbN (space group Fm-3m, prototype NaCl) crystal."

Jan 1, 2013

By Xinghua He, Shujing Zhu

"Cycled fluidized bed ash (CFBA), a significant portion of fly ash produced from coal-fired power plants and rejected from the ash classifying process, has remained unused due to its high free CaO and S03 content. It is necessary to extend research on the method to reduce the expansion and improve the compressive strength by some effective chemical activator. This paper presents experimental results on the expansion by Le chaterlier tester and the compressive strength. Hydraulic ash-zeolite (HAZ) cementitious material was blended as the chemical activator to study the effects of the activator on the expansion and the compressive strength. The results show that HAZ can not only reduce the expansion, but also increase the prisms compressive strength. Scanning electron microscope observation and X-ray diffraction analysis indicate that the main hydrated products of the sample are calcium hydroxide, ettringite, zeolite and calcite, which can explain the results of the expansion and the strength tests.IntroductionNearly 80% of the electricity in China is produced by coal-fired plants, which results in the production of a large quantity of coal combustion residues, among which coal fly ash is the major component. Because of that the air-pollution becomes heavier as time going on. Cycle-fluidized-bed-combustion systems are retrofitted to meet air-emission standards mandated by China Clean Air Act. Cycle fluidized bed ash (CFBA) will present new challenges for coal-combustion byproduct management. The use of cycle-fluidized-bed ash as a cement replacement in concrete is the most attractive one because of its high volume utilization and widespread construction. However, the replacement of cement with cycle fluidized bed ash in Portland cement concrete usually increases the expansion and decreases the early strength of concrete. In many research of this field, most of them were focus on the activation of pozzolanic activity of CFBA and to make all kinds of blend cement. A number of studies had been carried out on the activation of CFBA using chemical activators. These studies involved using different activating methods including alkali activation and sulfate activation 11, 2]. The former involved the breaking down of the glass phases in an elevated alkaline environment to accelerate the reaction [3, 4]. The later is based on the ability of sulfates to react with aluminum oxide in the glass phase of CFBA to produce ettringite that contributes to the strength at early ages [5-7]. With respect to sulfate activation, the use of gypsum and sodium sulfate had been well studied [5-8]. HAZ is one of HAS sub-products which is a patentd chemical activator made by Wuhan University (ZL98113594.3). It had been used to activate CFBA to produce blend cement in many Chinese engineering projects and time has told us that it is a good activator."

Jan 1, 2012

By Sven Eck, Andreas Ludwig, Menghuai Wu

"Phase separation is a frequently occurring phenomenon during solidification accompanied by melt convection, sedimentation or, in the case of two unmixable liquids, a Marangoni driven motion. In order to describe these phase separation phenomena a two-phase volume-averaging model was employed for globular equiaxed solidification of binary alloys and decomposition and solidification of hypermonotectic alloys. The model considers nucleation and growth of equiaxed grains or second phase droplets, motion and sedimentation of grains or droplets, feeding flow and solute transport by diffusion and convection. It allows the prediction of macro segregations and the distributions of grain size or droplet size. Evaluations were made by comparing the numerical predictions with experimental results. For example it is shown that the numerically predicted grain size distribution in a plate casting (Al-4wt%Cu) agrees reasonably well with the experimental analyses.IntroductionModeling of metallurgical processes is a rapidly expanding field and the research activities in the last decades cover a wide range of areas including melt pre-treatment, solidification and subsequent manufacturing routes. Among those activities solidification stands in the central position, because the primary structure of the materials, and even many defects such as porosity, (macro or micro) segregation and inclusions form during solidification. Those primarily formed structures or defects once existing are difficult to be removed or modified by the subsequent material processing.Solidification is a multi-disciplinary field involving thermodynamics, fluid dynamics and solid mechanics, heat and mass transfer, and other disciplinesr1 -31• One of the most challenging problems in solidification modeling is the complex interactions between physical phenomena occurring on different length scales ranging from atomic rearrangement over single crystal-melt interactions to heat extraction, momentum and species transport at the system level. Modeling an industry process on atomic scale is umealistic, even on grain scale (e.g. phase field method) it would need another 40 years to be able to model the exact grain morphology in a casting space envelope of 10x10x10 cm3 [ 4]. Therefore, the realistic models for industry process are based on the solution of the macro transport equations (mass, momentum, enthalpy and species) on system scale. The microscopic phenomena such as thermodynamics, nucleation law, crystal growth kinetics and interactions at the liquid-solid interface are considered with simplified models, which are coupled with the macroscopic transport equations."

Jan 1, 2004

By Shawn A. Cefalu, Matthew J. M. Krane, Kent J. VanEvery

"Segregation during electroslag remelting (ESR) of a nickel-chromium-molybdenum alloy (Ni-8 wt% Cr-25 wt% Mo) has been modeled. Features of the model include species transport and AC electromagnetic effects coupled with fluid flow, heat transfer, and solidification. The effect of varying ingot diameter and melt rate, on macrosegregation patterns, local solidification time, and liquid pool profiles obtained from this model are demonstrated. The results show that the macrosegregation in the ingots correlates to the filling velocity.IntroductionElectroslag remelting (ESR) is a secondary melting process used to refine the chemical composition and the microstructure of metals. Macrosegregation of solute elements causes defects in ESR ingots, including freckles and the maldistribution of phases. These defects are not correctable through heat treatment due to the large length scales over which they occur. However, the frequency and distribution of these defects may be minimized, or even prevented, through process control based on an understanding of the conditions that lead to their formation.In the past, studies have been conducted on the effect of the process parameters on the shape of the melt pool and the thickness of the mushy zone [1-7]. In these studies, the shape of the liquid pool is determined by consideration of the heat and fluid flow induced by electromagnetic (Lorentz) force and thermal buoyancy. The transport of solute and the resultant solutal buoyancy effects were not considered in these macroscopic models. Defect formation is tied to formation of secondary phases (e.g., freckling and white spots in nickel superalloys) [5,8]. In cases where secondary phase formation is calculated (e.g., [6]), phase fractions are determined using a micro-scale model given the local solidification time (LST) and local thermal history from the macroscale model.Using the local thermal history from the macroscopic transport model to predict microstructure increases the importance of the accuracy of those results. This investigation models the macrosegregation of molybdenum during the ESR of a Ni-Cr-Mo alloy. The effect of macrosegregation on pool shape and depth is demonstrated, along with its effect on the local solidification time. By comparing the relative effects of the melt rate and ingot radius, a better understanding of the factors that affect macrosegregation, and ultimately secondary phase formation may be obtained."

Jan 1, 2004

By Kotaro Ogura

"The electrolysis process in which CO2 is selectively reduced to C2H4 at a three-phase(gas/solution/metal) interface on a copper-mesh electrode has been developed in a concentrated solution of potassium halide. At open-circuit potential, CO2 is captured on the electrode by being inserted into the double-layer consisting of halide anions specifically adsorbed and potassium cations which are located in the Helmholtz inner and outer layers, respectively. CO2 thus activated is subjected to the electrochemical reduction. In the early stage of reduction, CO2 is converted to formate radicals that are adsorbed on the electrode by taking the place of halide anions. The reductive coupling of these radicals results in the formation of intermediates such as -CH2C(O)- and CH2=CH-, and C2H4 is finally produced. The catalytic activity of the electrode process involving the insertion of CO2 into the double layer is not deteriorated at all during the electrolysis, and the continuous reduction of CO2 to C2H4 is possible with the addition of inorganic acid under the assistance of natural energy.Carbon dioxide is a serious pollutant released from fossil fuel power station, internal combustion and many industrial operations. The easy release of CO2 to the air has caused the global warming, and the technique which intends to curtail CO2 by pushing it back into the ground has been suggested. However, this problem should be greatly mitigated if CO2 can be converted to innocuous substances. Especially, the reuse of CO2 as fuels and chemicals is extremely effective not only for the mitigation of the global warming but also against the depletion of the fossil fuel reserves. Several processes for converting CO2 to valuable compounds have been proposed including hydrogenation over heterogeneous catalyst at high temperature and electrochemical and photochemical reduction. In the conversion and cutback processes of CO2, however, it is of importance that the process is feasible under mild conditions, because the secondary generation of CO2 is feared if high energy is required and supplied with a fossil fuel. In this meaning, the electrochemical reduction of CO2 taking place at room temperature, which is similar to photosynthesis, is promising. From the practical point of view, it is further necessary that the conversion rate is high enough and the product is satisfactorily valuable."

Jan 1, 2008

By Animesh Jha

"Fine ceramic powders (<500 nm) exhibit exceptional physical and mechanical properties in engineered structural ceramics. The production of fine powders, in particular the non-oxide ceramics, via a cheaper route than the organic solvent route has been rather elusive. This paper examines the physical chemistry of sub-oxide vapour-phase reduction reaction for the nucleation of non-oxide ceramic phase. Well known vapour species eg SiO and BO in the production of technical ceramic powders (SiC, BN) are particularly discussed for understanding the nucleation process of SiC and BN ceramic phases respectively. The regimes of partial pressures and temperatures are particularly 'identified. The calculated nucleation rate as a function of the temperature is compared with the experimental results on powder morphology. The production of amorphous and nanocrystalline h-BN powders is discussed in the context of substrate structure and thermodynamic parameters.IntroductionThe physical and mechanical properties of ceramic components are strongly dependent on the powder particle size and morphology used for their fabrication. For example the strength (Os) of the structural ceramic components increases with decreasing average grain-size (d) in accordance with the Hall-Petch relationship: Os = 0""0 + k/(d)1/2. Here k is an empirical constant which can be established from the graphical relationship. However as the particle size approaches submicrometer-size range, the dependence of strength on the particle size becomes more complex [1]. The design of ceramic components based on nanometer-size particles have recently become an important field which can offer ceramic materials with properties comparable to their metal counterparts. Several materials based on these concepts have been developed and reported by Niihara [2]. For example, the Al2O 3-SiC nanocomposite, having average B-SiC grain size 0.3-2um with intragranular SiC particulates of 5-10 nm has unusually high strengths (1100 MN/m2) at low and elevated temperatures combined with enhanced fracture toughness (> 4 MN-ml.5) which is an unusual combination in structural ceramics. Besides mechanical properties, as the particle size of ceramic powders approaches the nanometer-size range, the charge transport properties also improve by many times. The effect of particle size on the electrical conductivity of Si3N4-TiN composites has been well documented [3.4]. The size of ceramic particulates without doubt plays a pivotal role in determining the properties of ceramic components."

Jan 1, 1996