SCLC法测量非晶硅有效隙态密度

提出了用空间电荷限制电流（SCLC）法测量非晶硅材料的有效隙态密度的新方法，并且报告了用4061A型半导体综合测试仪测量有效隙态密度的结果。测量结果发现与用低频电容法所得结果相符。     

Estimation of elastic constant of rocks using an ANFIS approach

The engineering properties of the rocks have the most vital role in planning of rock excavation and construction for optimum utilization of earth resources with greater safety and least damage to surroundings. The design and construction of structure is influenced by physico-mechanical properties of rock mass. Young's modulus provides insight about the magnitude and characteristic of the rock mass deformation due to change in stress field. The determination of the Young's modulus in laboratory is very time consuming and costly. Therefore, basic rock properties like point load, density and water absorption have been used to predict the Young's modulus. Point load, density and water absorption can be easily determined in field as well as laboratory and are pertinent properties to characterize a rock mass. The artificial neural network (ANN), fuzzy inference system (FIS) and neuro fuzzy are promising techniques which have proven to be very reliable in recent years. In, present study, neuro fuzzy system is applied to predict the rock Young's modulus to overcome the limitation of ANN and fuzzy logic. Total 85 dataset were used for training the network and 10 dataset for testing and validation of network rules. The network performance indices correlation coefficient, mean absolute percentage error (MAPE), root mean square error (RMSE), and variance account for (VAF) are found to be 0.6643, 7.583, 6.799, and 91.95 respectively, which endow with high performance of predictive neuro-fuzzy system to make use for prediction of complex rock parameter.     

OptaDOS: A tool for obtaining density of states,core-level and optical spectra from electronic structure codes

We present OptaDOS, a program for calculating core-electron and low-loss electron energy loss spectra (EELS) and optical spectra along with total-, projected- and joint-density of electronic states (DOS) from single-particle eigenenergies and dipole transition coefficients. Energy-loss spectroscopy is an important tool for probing bonding within a material. Interpreting these spectra can be aided by first principles calculations. The spectra are generated from the eigenenergies through integration over the Brillouin zone. An important feature of this code is that this integration is performed using a choice of adaptive or linear extrapolation broadening methods which we show produces higher accuracy spectra than standard fixed-width Gaussian broadening. OptaDOS  may be straightforwardly interfaced to any electronic structure code. OptaDOS  is freely available under the GNU General Public licence from http://www.optados.org.     

THE ISOTHERMAL COMPRESSIBILITY OF GAS-SATURATED HYDROCARBON LIQUIDS

Volumetric measurements were made on compressed solutions of carbon dioxide in n-decane and trans-decalin at 37.78°C at pressures up to 60 bar. The data were numerically analyzed to yield the isothermal compressibility function of the solutions at their saturation pressures.     

Approach from physicochemical aspects in membrane filtration

In membrane filtration, solution environment factors such as pH and solvent density are important in controlling the filtration rate and the rejection of the particles and/or the macromolecules. The filtration rate and the rejection in membrane filtration have been investigated from physicochemical aspects. It was shown that the properties of the filter cake formed on the membrane surface play a vital role in determining the filtration rate in mem-brane filtration. It was clearly demonstrated that such filtration behaviors as the filtration rate and the rejection are highly dependent on the electrical nature of the particles and/or the macromolecules. Furthermore, it was shown that the solvent density ρ has a large effect on the steady filtration rate in upward ultrafiltration.     

Radial density distribution of fractal clusters

The radial density distributions of fractal clusters generated in both DLCA and RLCA conditions by Monte-Carlo off-lattice cluster-cluster aggregation have been investigated. It has been computed by averaging a large number of clusters of same mass to form an average cluster, which is then considered as spherically symmetric. It is found that the radial density distribution, calculated using the mass center of the cluster as the center point, does not follow the fractal scaling, as sometimes assumed in the literature. An empirical model has been proposed to describe the dependence of the radial density distribution on the number of particles in the cluster. The obtained radial density distribution is used to compute permeability profile of the fractal cluster using several literature models, which is then applied to estimate the cluster hydrodynamic radius, R_h, by considering the cluster as a porous permeable object and using the solution of Brinkman equations for the fluid flow inside the cluster. The so obtained R_h values are compared to those in the literature, computed using the Kirkwood-Riseman (KR) theory. It has been found that, among the five permeability models examined, only the model proposed by Davis (Proceedings of the Institution of Mechanical Engineers Part B 1, 185) provides results in good agreement with those obtained using the KR model. Furthermore, it has been verified that the R_h values are insensitive to the model used for the density distribution.     

Different support effect of M/ZrO2 and M/CeO2 (M = Pd and Pt) catalysts on CO adsorption: A periodic density functional study

CO adsorption over Pd₄ and Pt₄ cluster supported by c-ZrO₂(1 1 1) and CeO₂(1 1 1) catalyst systems was investigated using periodic density functional method in order to clarify the support effect on CO activation. We found that the support increases the CO activation for bridge and three-fold sites but decreases for the atop site. Moreover, it was found that the support changes the site preference for the CO adsorption. Bridge site on both the Pt₄/c-ZrO₂ and Pt₄/CeO₂ show larger CO adsorption energies than those on the other sites while the atop site is energetically preferable on isolated Pt₄ cluster. c-ZrO₂ supported Pd shows the largest CO activation with large charge transfer from the catalyst to the CO molecule. This reveals that ZrO₂ supported Pd can be a good catalyst for CO activation because of its higher probability to the three-fold site CO adsorption. We also found that positively charged M₄ clusters on the support keep their strong electron-donating properties and have enough charge density to contribute to the activation of an adsorbed CO molecule by a charge transfer.     

(1-x)NBT-xBaTiO3系陶瓷材料制备过程中烧成工艺制度的研究

选取BT6组成点,采用不同的预合成温度、烧结温度和保温时间制备样品,研究各样品的体积密度、线收缩率、晶粒发育状况和压电性能,确定最佳的烧成工艺制度。     

淤浆法HDPE产品密度波动原因分析

对淤浆法HDPE装置产品密度波动的现象进行了描述，对波动原因进行了分析，并提出了有效的解决方案，对避免密度波动，提高产品质量具有一定指导作用。