N掺杂SnO₂材料光电性质的第一性原理研究     

于峰  王培吉  张昌文 《海洋学报》2010,32(10):7285-7290

采用全电势线性缀加平面波(full potential linearized augmented plane wave method,简记为FP-LAPW)方法,基于密度泛函理论第一性原理计算分析N掺杂SnO₂材料,研究了在N替代O原子和N替代Sn原子情况下的电子态密度、电荷密度分布以及光学性质.研究表明N掺杂替代Sn较之N掺杂替代O原子的带隙要宽,都宽于SnO₂的本征带隙,且两种情况下N分别处于负氧化态和正氧化态,其介电函数谱也与带隙对应发生蓝移,从理论上指出  相似文献   

Role of buffer layer in electronic structures of iron phthalocyanine molecules on Au(111)     

孙家涛  潘理达  胡昊  杜世萱  高鸿钧 《海洋学报(英文版)》2010,29(9)

We investigate the electronic structures of one and two monolayer iron phthalocyanine (FePc) molecules on Au(111) surfaces. The first monolayer FePc is lying flat on the Au(111) substrate, and the second monolayer FePc is tilted at ～15° relative to the substrate plane along the nearest neighbour [101^-] direction with a lobe downward to the central hole of the unit cell in the first layer. The structural information obtained by first-principles calculations is in agreement with the experiment results. Furthermore, it is demonstrated that the electronic structures of FePc molecules in one-monolayer FePc/Au(111) system are perturbed significantly, while the electronic structures of FePc molecules in the second monolayer in two-monolayer FePc/Au(111) system remain almost unchanged due to the screening of the buffer layer on Au(111).  相似文献   

Stress‐dependent hardening and failure surfaces of dry sand     

W. Ehlers  O. Avci 《国际地质力学数值与分析法杂志》2013,37(8):787-809

During several triaxial compression experiments on plastic hardening, softening, and failure properties of dense sand specimens, it was found on various stress paths that the size of the failure surface was not constant. Instead, it changed depending on the current state of hydrostatic pressure. This finding is in contrast to the standard opinion consisting of the fact that the failure surface remains constant, once it has been reached during an experiment or in situ. In general, the behaviour of cohesionless granular‐material‐like sand is somehow characterised in between fluid and solid, where the solid behaviour results from the angle of internal friction and the confining pressure. Although the friction angle is an intrinsic material property, the confining pressure varies with the boundary conditions, thus defining different solid properties like plastic hardening, softening, and also failure. Based on our findings, it was the goal of the present contribution to introduce an improved setting for the plastic strain hardening and softening behaviour including the newly found yield properties at the limit state. For the identification of the material parameters, a complete triaxial experimental analysis of the tested sand is given. The overall elasto‐plasticity concept is validated by numerical computations of several laboratory foundation‐ and slope‐failure experiments. The performance of the proposed approach is compared with the standard concept of a constant failure surface, where the corresponding yield surfaces are understood as contours of equivalent plastic work or plastic strain. Copyright © 2012 John Wiley & Sons, Ltd.  相似文献   

电子顺磁共振法在峰峰煤田煤的演化程度研究中的应用     

翁成敏 《地球科学》1991,16(2):213-218

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WIN32下电子地图制图与应用系统设计   总被引：1，自引：0，他引：1  

杨春成  李波等 《测绘学院学报》2001,18(3):220-222

探讨了电子地图制作和分析应用的相关技术，并认为电子地图已从“只读”系统向“分析”系统发展，电子地图的应用分析功能将成为今后研究的重点。  相似文献   

峨嵋山地区块体图的计算机绘制     

程学忠 《矿物岩石》2001,21(1):101-104

本文介绍了用计算机辅助设计软件AUTOCAD与三维动画软件3DMAX来绘制峨嵋山地区块体图的方法，以此为例子讲述了将地形图改画面三维图的具体操作步骤，并进一步论述了用计算机绘制块体图的方法有着广泛的应用及其实用价值。  相似文献   

铀矿地质档案计算机管理的安全与技术分析     

陈晶 《铀矿地质》2001,17(6):377-379

通过对铀矿地质档案现状与技术安全分析，以及考虑经济因素，铀矿地质档案计算机管理应以磁存储技术和光盘存储技术相结合，采用档案修复和转化技术完成档案的介质转化存储，实现了电子档案管理。  相似文献   

超文本电子地图集系统     

游涟  胡鹏 《武汉大学学报(信息科学版)》1995,(1)

介绍了超文本电子地图集系统ＨＥＡＳ的若干概念，分析了现有地理信息系统的优点和弱点，介绍了超文本电子地图集系统的特性和武测超文本电子地图集实验系统方面的研究成果。  相似文献   

拜城县黑英山霞石正长岩矿物学特征研究     

吕夏 《新疆地质》1993,(4)

霞石正长岩是重要的炼铝资源和陶瓷、玻璃原料。文中利用扫描电镜、X衍射、红外线、电子探针等,综合分析方法对黑英山霞石正长岩的矿物学特征作了详细研究。着重描述了岩石的矿物组合、矿物生成及变化特征。对主要矿物进行了化学成分及X衍射分析,测得霞石成分:SiO_243.66％,Al_2O_330.97％,K_2O4.23％,Na_2O18.46％(Na_2O高于其它地区的霞石)。根据霞石单矿物实测成分计算出其晶体化学分子式为:(K_(0.525)Na_(3.528)Ca_(0.012))_(4.065)[Cr_(0.010)Al-(3.559)Mg_(0.009)Fe_(0.054)Mn_(0.012)Ti_(0.008)Si_(4.258)O_(16)];测得霞石的主要X衍射d值为:0.302～0.303,0.386～0.389,0.1388～0.1391(nm)。测得微斜长石的成分:SiO_264.82％,Al_2O_319.68％,K_2O11.77％,Na_2O2.30％,求得其三斜度△=0.83～1.00,属低微斜长石。通过霞石正长岩中钾长石与霞石矿物中对K原子分配值计算和作图,解得矿物生成温度为400～500℃。测得岩石中的钠长石主要为低钠长石,属后期交代矿物。  相似文献   

一种新的二进制地图矢量文件格式设计     

赵琪  叶健拷  张志宏 《测绘工程》1999,8(3):26-29

比较了二制文件与文本文件的优点,以线状数据为例设计了便于文档序列化,易于面向对象ＧＩＳ进行了的二进矢量地图文件格式。  相似文献