Metasomatism of the peridotites from southern Mariana fore-arc: Trace element characteristics of clinopyroxene and amphibole

Modal composition and mineral composition of harzburgites from the southern Mariana fore-arc show that they are highly refractory. There are a few modals of clinopyroxene (0.7 vol %) in harzburgites. Two types of amphibole are found in these harzburgites: magnesiohornblende accompanied by clinopyroxene with higher Al2O3 content (> 7%) and lower Mg-#; tremolite around orthopyroxene with lower Al2O3 content (< 2%) and higher Mg-#. Trace element of clinopyroxene and two types of amphibole are analyzed. Primitive mantle-normalised REE patterns for clinopyroxene and magnesio hornblende are very similar and both show HREE enrichment relative to LREE, while magnesiohornblende has higher content of trace element than clinopyroxene. The contents of trace element of tremolite are much lower than those of magnesiohornblende. Clinopyroxene shows enrichment of most of the trace element except HREE and Ti relative to clinopyroxene in abyssal peridotites. Petrology and trace element characteristic of clinopyroxene and two types of amphibole indicate that southern Mariana fore-arc harzburgites underwent two stages of metasomatism. The percolation of a hydrous melt led to mobility of Al, Ca, Fe, Mg, Na, and large amounts of trace element. LILE and LREE can be more active in hydrous melt than HREE and Ti, and the activities of most of the trace element except some of LILE are influenced by temperature and pressure.

Methane dehydro-aromatization over a Mo/phosphoric rare earth-containing penta-sil type zeolite in the absence of oxygen

The dehydro-aromatization of methane over a Mo-modified penta-sil type high-silica zeolite containing phosphoric and rare earth oxide (abbreviated as Mo/HZRP-1) was investigated. As a modification of HZSM-5, HZRP-1 is also a good support for the preparation of Mo-based zeolite catalysts, and is active for methane dehydro-aromatization. Mo/HZRP-1 catalysts are more active at high Mo loadings compared with Mo/HZSM-5 catalysts. Al-27 MAS NMR spectra of Mo/HZRP-1 reveal that there are two kinds of framework Al in HZRP-1. It is suggested that only the tetrahedral coordinated Al atoms in the form of Al-O-Si species in the zeolite, in the proton forms, are responsible for the formation of aromatics.

Structure and base properties of calcined hydrotalcites

Five hydrotalcites with Mg/Al molar ratio range of 3-15 were prepared. The structure and basicity of Mg-Al mixed oxides (Mg(Al)O) transformed from hydrotalcites were investigated by TPD, XPS, XRD, FT-IR and NMR techniques. The results of elemental analysis and XPS indicate that Al is enriched in the surface regions of Mg(Al)O, and its amount increases with the Mg/Al molar ratio and, the calcination temperature. Al-27-MAS-NMR results show that Al exists in two chemical environments: tetrahedral aluminium (Al(t)) and octahedral aluminium (Al(o)) in Mg(AI)O. The amount of Al(t) increases with the Mg/Al molar ratio and the calcination temperature. It is assumed that Al(t) may be mainly from the surface Al. Temperature-programmed desorption (TPD) of CO2 shows that the number of basic sites of Mg(Al)O samples increases with the Mg/Al molar ratio, and the maximum number of basic sites is obtained for hydrotalcite calcined at 773 K. Infrared spectra of adsorbed CO2 and B(OCH3)(3) reveal that there are two kinds of basic sites: weak basic OH- sites and strong basic O2- sites on the Mg(AI)O samples, the base strength depends on the Mg/Al molar ratio and calcination temperature.

钢基铝镀层转化为陶瓷层的演变规律研究

热浸镀铝钢经等离子体电解氧化（Plasma Electrolytic Oxidation,PEO）处理后,表面铝镀层转化为陶瓷层.实验对阳极电压变化、陶瓷层生长规律、涂层截面形貌和成分等进行了研究.结果表明：在PEO初期,热浸铝试件的阳极电压变化趋势与纯铝试件相同,在PEO后期电压有下降趋势.铝镀层消耗和陶瓷层厚度增长近似为线性变化.当铝镀层完全陶瓷化后,FeAl层参与PEO反应,但陶瓷层生长速率变慢,在界面处出现大量裂纹;陶瓷层主要成分为Al、Si、O元素,相结构主要为γ-Al_2O_3与莫来石相,在PEO后期出现α-Al_2O_3相.复合陶瓷层硬度呈区域性分布,陶瓷层最高硬度可达HV1800.

Polaron effects on the optical absorptions in asymmetrical semi-parabolic quantum wells

The linear and nonlinear optical absorptions considering the weak-coupling electron-LO-phonon interaction in asymmetrical semiparabolic quantum wells are theoretically investigated. The numerical results for the typical GaAs/AlxGa1-xAs material show that the factors of Al content x, the relaxation time and the photon energy have great influence on the optical absorption coefficients. Moreover, the theoretical values of the optical absorptions are more than a factor of 2-3 higher than the one in the structure without considering the electron-LO-phonon interaction by calculating. (C) 2007 Elsevier B.V. All rights reserved.

第二相粒子对ECAP挤压的2A12铝合金晶粒细化的影响

采用等径角挤压技术对2A12铝合金在室温下进行挤压,成功制备了亚微米尺度的块体铝合金材料.挤压前材料的平均晶粒尺寸约5μm,两次挤压后,平均晶粒尺寸细化至200nm左右.合金中的Al2Cu相在挤压过程中由针状变成了块状颗粒,而Al2CuMg相在挤压过程中晶粒大小基本不变.研究发现,硬颗粒Al.2CuMg对基体α-Al有剪切和割裂作用,可以促进基体的晶粒细化过程,并初步给出了晶粒细化的模型.

4H-SiC基底Al_2O_3/SiO_2双层减反射膜的设计和制备

在4H-SiC基底上设计并制备了Al2O3/SiO2紫外双层减反射膜,通过扫描电镜(SEM)和实测反射率谱来验证理论设计的正确性。利用编程计算得到Al2O3和SiO2的最优物理膜厚分别为42.0nm和96.1nm以及参考波长λ=280nm处最小反射率为0.09%。由误差分析可知,实际镀膜时保持双层膜厚度之和与理论值一致有利于降低膜系反射率。实验中应当准确控制SiO2折射率并使Al2O3折射率接近1.715。用电子束蒸发法在4H-SiC基底上淀积Al2O3/SiO2双层膜,厚度分别为42nm和96nm。SEM截面图表明淀积的薄膜和基底间具有较强的附着力。实测反射率极小值为0.33%,对应λ=276nm,与理论结果吻合较好。与传统SiO2单层膜相比,Al2O3/SiO2双层膜具有反射率小,波长选择性好等优点,从而论证了其在4H-SiC基紫外光电器件减反射膜上具有较好的应用前景。

Hot-pressed translucent aluminum oxynitride (AlON) ceramics

AlON with a composition of Al23O27N5 was prepared by hot pressing at temperatures lower than 1900°C. The microstructures and final properties, including both mechanical properties and optical properties, of the sintered specimens were studied. The results showed that sintering temperature had a great influence on the densification of specimens and could lead to very different properties, especially the optical transmittance and the maximum infrared transmission.

Nitrogen defects and ferromagnetism in Cr-doped dilute magnetic semiconductor AlN from first principles

High Curie temperature of 900 K has been reported in Cr-doped AlN diluted magnetic semiconductors prepared by various methods, which is exciting for spintronic applications. It is believed that N defects play important roles in achieving the high-temperature ferromagnetism in good samples. Motivated by these experimental advances, we use a full-potential density-functional-theory method and supercell approach to investigate N defects and their effects on ferromagnetism of (Al,Cr)N with N vacancies (V-N). We investigate the structural and electronic properties of V-N, single Cr atom, Cr-Cr atom pairs, Cr-V-N pairs, and so on. In each case, the most stable structure is obtained by comparing different atomic configurations optimized in terms of the total energy and the force on every atom, and then it is used to calculate the defect formation energy and study the electronic structures. Our total-energy calculations show that the nearest substitutional Cr-Cr pair with the two spins in parallel is the most favorable and the nearest Cr-V-N pair makes a stable complex. Our formation energies indicate that V-N regions can be formed spontaneously under N-poor condition because the minimal V-N formation energy equals -0.23 eV or Cr-doped regions with high enough concentrations can be formed under N-rich condition because the Cr formation energy equals 0.04 eV, and hence real Cr-doped AlN samples are formed by forming some Cr-doped regions and separated V-N regions and through subsequent atomic relaxation during annealing. Both of the single Cr atom and the N vacancy create filled electronic states in the semiconductor gap of AlN. N vacancies enhance the ferromagnetism by adding mu(B) to the Cr moment each but reduce the ferromagnetic exchange constants between the spins in the nearest Cr-Cr pairs. These calculated results are in agreement with experimental observations and facts of real Cr-doped AlN samples and their synthesis. Our first-principles results are useful to elucidate the mechanism for the ferromagnetism and to explore high-performance Cr-doped AlN diluted magnetic semiconductors.

Enhanced Pockels effect in GaN/AlxGa1-xN superlattice measured by polarization-maintaining fiber Mach-Zehnder interferometer

Six-period 4 nm GaN/10 nm AlxGa1-xN superlattices with different Al mole fractions x were prepared on (0001) sapphire substrates by low-temperature metal-organic chemical vapor deposition. The linear electro-optic (Pockels) effect was studied by a polarization-maintaining fiber-optical Mach-Zehnder interferometer system with an incident light wavelength of 1.55 mu m. The measured electro-optic coefficients, gamma(13)=5.60 +/- 0.18 pm/V, gamma(33)=19.24 +/- 1.21 pm/V (for sample 1, x=0.3), and gamma(13)=3.09 +/- 0.48 pm/V, gamma(33)=8.94 +/- 0.36 pm/V (for sample 2, x=0.1), respectively, are about ten times larger than those of GaN bulk material. The enhancement effect in GaN/AlxGa1-xN superlattice can be attributed to the large built-in field at the interfaces, depending on the mole fraction of Al. (C) 2007 American Institute of Physics.

Chemical composition and elastic strain in AlInGaN quaternary films

High-quality AlInGaN quaternary layers were grown on c-Al2O3 using a thick GaN template. A full width at half maximum of 0.075 degrees from AlInGaN(0004) rocking curve and a minimum yield of 5.6% from Rutherford backscattering/channelling spectrometry (RBS) prove the AlInGaN layer of a comparable crystalline quality with GaN layers. The chemical compositions (both of Al and In contents) of AlInGaN layers are directly obtained from RBS and elastic recoil detection analysis. The lattice parameters both in perpendicular and parallel directions are deduced from X-ray diffraction. The AlInGaN layer is found to process a compressive strain in parallel direction and a tensile strain in perpendicular direction. (c) 2006 Elsevier B.V. All rights reserved.

In-Situ Boron and Aluminum Doping and Their Memory Effects in 4H-SiC Homoepitaxial Layers Grown by Hot-Wall LPCVD

The in-situ p-type doping of 4H-SiC grown on off-oriented (0001) 4H-SiC substrates was performed with trimethylaluminum (TMA) and/or diborane (B2H6) as the dopants. The incorporations of Al and B atoms and their memory effects and the electrical properties of p-type 4H-SiC epilayers were characterized by secondary ion mass spectroscopy (SIMS) and Hall effect measurements, respectively. Both Al- and B-doped 4H-SiC epilayers were p-type conduction. It was shown that the profiles of the incorporated boron and aluminum concentration were in agreement with the designed TMA and B2H6 flow rate diagrams. The maximum hole concentration for the Al doped 4H-SiC was 3.52x10(20) cm(-3) with Hall mobility of about 1 cm(2)/Vs and resistivity of 1.6 similar to 2.2x10(-2) Omega cm. The heavily boron-doped 4H-SiC samples were also obtained with B2H6 gas flow rate of 5 sccm, yielding values of 0.328 Omega cm for resistivity, 5.3x10(18) cm(-3) for hole carrier concentration, and 7 cm(2)/VS for hole mobility. The doping efficiency of Al in SiC is larger than that of B. The memory effects of Al and B were investigated in undoped 4H-SiC by using SIMS measurement after a few run of doped 4H-SiC growth. It was clearly shown that the memory effect of Al is stronger than that of B. It is suggested that p-type 4H-SiC growth should be carried out in a separate reactor, especially for Al doping, in order to avoid the join contamination on the subsequent n-type growth. 4H-SiC PiN diodes were fabricated by using heavily B doped epilayers. Preliminary results of PiN diodes with blocking voltage of 300 V and forward voltage drop of 3.0 V were obtained.

Ab initio calculations for the neutral and charged O vacancy in sapphire

The energetics, lattice relaxation, and the defect-induced states of st single O vacancy in alpha-Al2O3 are studied by means of supercell total-energy calculations using a first-principles method based on density-functional theory. The supercell model with 120 atoms in a hexagonal lattice is sufficiently large to give realistic results for an isolated single vacancy (square). Self-consistent calculations are performed for each assumed configuration of lattice relaxation involving the nearest-neighbor Al atoms and the next-nearest-neighbor O atoms of the vacancy site. Total-energy data thus accumulated are used to construct an energy hypersurface. A theoretical zero-temperature vacancy formation energy of 5.83 eV is obtained. Our results show a large relaxation of Al (O) atoms away from the vacancy site by about 16% (8%) of the original Al-square (O-square) distances. The relaxation of the neighboring Al atoms has a much weaker energy dependence than the O atoms. The O vacancy introduces a deep and doubly occupied defect level, or an F center in the gap, and three unoccupied defect levels near the conduction band edge, the positions of the latter are sensitive to the degree of relaxation. The defect state wave functions are found to be not so localized, but extend up to the boundary of the supercell. Defect-induced levels are also found in the valence-band region below the O 2s and the O 2p bands. Also investigated is the case of a singly occupied defect level (an F+ center). This is done by reducing both the total number of electrons in the supercell and the background positive charge by one electron in the self-consistent electronic structure calculations. The optical transitions between the occupied and excited states of the: F and F+ centers are also investigated and found to be anisotropic in agreement with optical data.

Enhanced charge collection in polymer photovoltaic cells by using an ethanol-soluble conjugated polyfluorene as cathode buffer layer

We report enhanced polymer photovoltaic (PV) cells by utilizing ethanol-soluble conjugated poly (9, 9-bis (6'-diethoxylphosphorylhexyl) fluorene) (PF-EP) as a buffer layer between the active layer consisting of poly(3-hexylthiophene)/[6, 6]-phenyl C61-butyric acid methyl ester blend and the Al cathode. Compared to the control PV cell with Al cathode, the introduction of PF-EP effectively increases the shunt resistance and improves the photo-generated charge collection since the slightly thicker semi-conducting PF-EP layer may restrain the penetration of Al atoms into the active layer that may result in increased leakage current and quench photo-generated excitons. The power conversion efficiency is increased ca. 8% compared to the post-annealed cell with Al cathode.

生物－热催化过渡带沉积成岩演化及其成烃作用研究

The biothermocatalytic transitional zone gas is a new type of natural gas genetic theory, and also an clean, effective and high quality energy with shallow burial depth, wide distribution and few investment. Meanwhile, this puts biothermocatalytic transitional zone gas in important position to the energy resource and it is a challenging front study project. This paper introduces the concept, the present situation of study and developmental trend about biothermocatalytic transitional zone gas in detail. Then by using heat simulating of source rocks and catalysis mechanism analysis in the laboratory and studying structural evolution, sedimentation, diagenesis and the conditions of accumulation formation and so on, this paper also discusses catalytic mechanism and evolutionary model of the biothermocatalytic transitional zone gas formation, and establishes the methods of appraisal parameter and resources prediction about the biothermocatalytic transitional zone gas. At last, it shows that geochemical characteristics and differentiated mark of the biothermocatalytic transitional zone gas, and perfect natural gas genetic theory, and points out the conditions of accumulation formation, distribution characteristics and potential distribution region on the biothermocatalytic transitional zone gas m China. The paper mainly focuses on the formation mechanism and the resources potential about the biothermocatalytic transitional zone gas. Based on filed work, it is attached importance to a combination of macroscopic and microcosmic analysis, and the firsthand data are obtained to build up framework and model of the study by applying geologic theory. Based on sedimentary structure, it is expounded that structural actions have an effect on filling space and developmental cource of sediments and evolution of source rocks. Carried out sedimentary environment, sequence stratigraphy, sedimentary system and diagenesis and so on, it is concluded that diagenesis influences developmental evolution of source rocks, and basic geologic conditions of the biothermocatalytic transitional zone gas. Applying experiment simulating and catalytic simulating as well as chemical analysis, catalytic mechanism of clay minerals is discussed. Combined diagenecic dynamics with isotope fractionation dynamics, it is established that basis and method of resource appraisal about the biothermocatalytic transitional zone gas. All these results effectively assess and predict oil&gas resources about the biothermocatalytic transitional zone gas-bearing typical basin in China. I read more than 170 volumes on the biothermocatalytic transitional zone gas and complete the dissertation' summary with some 2.4 ten thousand words, draw up study contents in some detail and set up feasible experimental method and technologic course. 160 pieces of samples are obtained in oilfield such as Liaohe, Shengli, Dagang and Subei and so on, some 86 natural gas samples and more than 30 crude oil samples. Core profiles about 12 wells were observed and some 300 geologic photos were taken. Six papers were published in the center academic journal at home and abroad. Collected samples were analysised more than 1000 times, at last I complete this dissertation with more than 8 ten thousand words, and with 40 figures and 4 plates. According to these studies, it is concluded the following results and understandings. 1. The study indicates structural evolution and action of sedimentary basin influence and control the formation and accumulation the biothermocatalytic transitional zone gas. Then, the structural action can not only control accommodation space of sediments and the origin, migration and accumulation of hydrocarbon matters, but also can supply the origin of energy for hygrocarbon matters foramtion. 2. Sedimentary environments of the biothermocatalytic transitional zone gas are lake, river and swamp delta- alluvial fan sedimentary systems, having a warm, hot and humid climate. Fluctuation of lake level is from low to high., frequency, and piling rate of sedimentary center is high, which reflect a stable depression and rapidly filling sedimentary course, then resulting in source rocks with organic matter. 3. The paper perfects the natural gas genetic theory which is compound and continuous. It expounds the biothermocatalytic transitional zone gas is a special gas formation stage in continuous evolutionary sequence of organic matter, whose exogenic force is temperture and catalysis of clay minerals, at the same time, having decarbxylation, deamination and so on. 4. The methodology is established which is a combination of SEM, TEM and Engery spectrum analysis to identify microstructure of crystal morphology about clay minerals. Using differential thermal-chromatographic analysis, it can understand that hydrocarbon formation potential of different typies kerogens and catalytic method of all kinds of mineral matrix, and improve the surface acidity technology of clay minerals measured by the pyridine analytic method. 5. The experiments confirm catalysis of clay minerals to organic matter hygrocarbon formation. At low temperature (<300 ℃), there is mainly catalysis of montmorillonite, which can improve 2-3 times about produced gas of organic matters and the pyrolyzed temperature decreased 50 ℃; while at the high temperature, there is mainly catalysis of illite which can improve more than 2 times about produced gas of organic matters. 6. It is established the function relationship between organic matter (reactant) concentration and temperature, pressure, time, water and so on, that is C=f (D, t). Using Rali isotope fractionation effect to get methane isotope fractionation formula. According to the relationship between isotope fractionation of diagenesis and depth, and combined with sedimentary rate of the region, it is estimated that relict gas of the biothermocatalytic transitional zone gas in the representative basin. 7. It is revealed that hydrocarbon formation mechanism of the biothermocatalytic transitional zone gas is mainly from montmorillonite to mixed minerals during diagenesis. In interlayer, a lot of Al~(3+) substitute for Si~(4+), resulting in a imbalance between surface charge and interlayer charge of clay minerals and the occurrence of the Lewis and Bronsted acid sites, which promote to form the carbon cation. The cation can form alkene or small carbon cation. 8. It is addressed the comprehensive identification mark of the biothermo - catalytic transitional zone gas. In the temproal-spatial' distribution, its source rocks is mainly Palaeogene, secondly Cretaceous and Jurassic of Mesozoic, Triassic, having mudy rocks and coal-rich, their organic carbon being 0.2% and 0.4% respectively. The vitrinite reflection factor in source rocks Ro is 0.3-0.65%, a few up to 0.2%. The burial depth is 1000-3000m, being characterized by emerge of itself, reservoir of itself, shallow burial depth. In the transitional zone, from shallow to deep, contents of montmorillonites are progressively reduced while contents of illites increasing. Under SEM, it is observed that montmorillonites change into illite.s, firstly being mixed illite/ montmorillonite with burr-like, then itlite with silk-like. Carbon isotope of methane in the biothermocatatytic transitional zone gas , namely δ~(13)C_1-45‰- -60 ‰. 9. From the evolutionary sequence of time, distribution of the biothermocatalytic transitional zone gas is mainly oil&gas bearing basin in the Mesozoic-Neozoic Era. From the distribution region, it is mainly eastern stuctural active region and three large depressions in Bohaiwang basin. But most of them are located in evolutionary stage of the transitional zone, having the better relationship between produced, reservoir and seal layers, which is favorable about forming the biothermocatalytic transitional zone gas reservoir, and finding large gas (oil) field.