沙漠化评价基本理论初探

沙漠化评价的原则、内容和方法紧密联系。沙漠化研究内容决定其评价内容。沙漠化地图的合适信息负载量，决定各种比例尺的沙漠化评价指征的详细程度，也决定沙漠化分级数与分类数。分级数的下限是沙漠化允许值。

超高韧性纤维增强混凝土制备及设计理论

超高韧性纤维增强混凝土作为一种新型复合型材料,最早源于上世纪90年代提出的“纤维增强水泥基复合材料”。本文通过文献调研法,归纳并总结了现阶段超高韧性纤维增强混凝土的基体设计理论、设计理论和制备工艺。其中超高韧性纤维增强混凝土基体设计理论分为基体固相和大缺陷—气孔两类,设计理论有微观力学与断裂能理论、单纤维拔出理论和裂纹开口位移—应力关系理论,制备工艺分为“干拌法”和“湿拌法”两大类。总结超高韧性纤维增强混凝土相关的设计理论和制备工艺可以直观了解现阶段超高韧性纤维增强混凝土研究状况,同时为接下来超高韧性纤维增强混凝土新工艺、新理论的开创提供启迪与思考。

Bipolar Theory of MOS Field-Effect Transistors and Experiments

The bipolar theory of field-effect transistor is introduced to replace the 55-year-old classic unipolar theory invented by Shockley in 1952 in order to account for the characteristics observed in recent double-gate nanometer silicon MOS field-effect transistors. Two electron and two hole surface channels are simultaneously present in all channel current ranges. Output and transfer characteristics are computed over practical base and gate oxide thicknesses. The bipolar theory corroborates well with experimental data reported recently for FinFETs with metal/silicon and p/n junction source/drain contacts. Single-device realization of CMOS inverter and SRAM memory circuit functions are recognized.

A Decision Model Based on Grey Rough Sets Integration with Incomplete Information

In this paper, for multiple attribute decision-making problem in which attribute values are interval grey numbers and some of them are null values, a decision model based on grey rough sets integration with incomplete information is proposed. We put forward incidence degree coefficient formula for grey interval, by information entropy theory and analysis technique, the method and principle is presented to fill up null values. We also establish the method of grey interval incidence cluster. Because grey system theory and Rough set theory are complementary each other, decision table with preference information is obtained by the result of grey incidence cluster. An algorithm for inducing decision rules based on rough set theory and the dominance relationship is presented. In some extent, this algorithm can deal with decision-making problem in which the attribute values are interval grey numbers and some of them are null values. Contrasted with classical model of cluster decision-making, the algorithm has an advantage of flexibility and compatibility to new information.

Dynamic subsidence basins in coal mines based on rock mass rheological theory

In order to investigate the surface deformation caused by coal mining and to reduce environmental damage, more accurate information of dynamic subsidence basins, caused by coal mining, is needed. Based on theological theory, we discuss surface deformation mechanism of dynamic subsidence on the assumption that both the roof and the coal seam are visco-elastic media, put forward the idea that the principle of surface deformation is similar to that of roofs, except for their parameters. Therefore, a surface deforma- tion equation can be obtained, given the equation of the roof deformation derived.from using a HIM rhe- ological model. In the end, we apply the equation of surface deformation as a practical subsidence prediction in a coal mine. Given the theologic properties of a rock mass, the results of our research of a dynamic subsidence basin can predict the development of surface deformation as a function of time, which is more important than the ultimate subsidence itself. The results indicate that using rheological theory to calculate the deformation of a dynamic subsidence basin is suitable and provides some reference for surface deformation of dynamic subsidence basins.

Electronic Structure and Magnetic Properties of Cu[C(CN)_3]_2 and Mn[C(CN)_3]_2 Based on First Principles

The electronic structure and the magnetic properties of the molecule-based ferromagnets Cu[C（CN）3]2 and Mn[C（CN）3]2 are studied according to first principles within density-functional theory （DFT） and the full potential linearized augmented plane wave （FP-LAPW） method. The total energy, atomic spin magnetic moments, and density of states （DOS） of Cu[C（CN）3]2 and Mn[C（CN）3]2 are all calculated. The calculations reveal that the compounds have a stable ferromagnetic ground state and half-metallic properties. The total spin magnetic moment is 1.0μB for Cu[C（CN）3]2 and 5.0#B for Mn[C（CN）3]e per molecule, the magnetic moment mainly comes from metal atoms, although there is a slight contribution from N and C atoms.

DFT Calculation of Room Temperature Ionic Liquid 1-Ethyl-3-Methyl-Imidazolium Chlorocuprate (Ⅰ)

The density functional theory （DFT） has been employed to investigate the electronic structures ofEMIM^＋（1-ethyl-3-methylimidazolium＋）, CuCl2^-, Cu2Cl3^- and EMIM^＋-CuCl2^-, EMIM^＋-Cu2Cl3^- pairs. Full optimization and frequency analyses of EMIM^＋, CuCl2^-, Cu2Cl3^-, eight initial EMIM^＋-CuCl2^-, and six initial EMIM^＋-Cu2Cl3^- geometries have been carried out using Gaussian-94 software-package at 6-3 I＋G （d, p） basis set level for hydrogen, carbon, nitrogen, chlorine atoms and the Hay-Wadt effective core potential for copper atoms. The electronic structures of the lowest energy of EMIM^＋-CuCl2^-, EMIM^＋-Cu2Cl3^- pairs, single EMIM^＋, CuCl2^-, and Cu2Cl3^- have been comparatively studied. The calculated results showed that the optimized EMIM^＋-CuCl2^- pair conformer of the lowest energy was five ring moiety parallel to CuCl2^- plane with a distance of around 3.5,A, while EMIM^＋-Cu2Cl3^- pair conformer of the lowest energy was five ring moiety of EMIM^＋ perpendicular to Cu2Cl3^- plane with a distance of around 3.0 ,A between terminal chlorine atoms and 5-ring plane of EMIM^＋. The cohesion between cation and anion is electrostatic interaction and C-H---Cl hydrogen bonds are reinforced by charge assistance. The frequency analyses suggested that all stationary points are minimum points because of absence of imaginary frequency. The low energy of interaction caused by bulky asymmetry of EMIM^＋, and charge dispersion of cation and anion give rise to low melting point of ionic liquids EMIM^＋-CuCl2^-, and EMIM^＋-Cu2Cl3^- . The interaction energy caused by the distance between cations and anions was investigated by single point energy scan.

A continuum thermal stress theory for crystals based on interatomic potentials

This paper presents a new continuum thermal stress theory for crystals based on interatomic potentials.The effect of finite temperature is taken into account via a harmonic model.An EAM potential for copper is adopted in this paper and verified by computing the effect of the temperature on the specific heat,coefficient of thermal expansion and lattice constant.Then we calculate the elastic constants of copper at finite temperature.The calculation results are in good agreement with experimental data.The thermal stress theory is applied to an anisotropic crystal graphite,in which the Brenner potential is employed.Temperature dependence of the thermodynamic properties,lattice constants and thermal strains for graphite is calculated.The calculation results are also in good agreement with experimental data.