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

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).     

Exact solution and approximate solution of irregular wave radiation stress for non-breaking wave

Wave radiation stress is the main driving force of wave-induced near-shore currents. It is directly related to the hydrodynamic characteristics of near-shore current whether the calculation of wave radiation stress is accurate or not. Irregular waves are more capable of reacting wave motion in the ocean compared to regular waves.Therefore, the calculation of the radiation stress under irregular waves will be more able to reflect the wave driving force in the actual near-shore current. Exact solution and approximate solution of the irregular wave radiation stress are derived in this paper and the two kinds of calculation methods are compared. On the basis of this, the experimental results are used to further verify the calculation of wave energy in the approximate calculation method. The results show that the approximate calculation method of irregular wave radiation stress has a good accuracy under the condition of narrow-band spectrum, which can save a lot of computing time, and thus improve the efficiency of calculation. However, the exact calculation method can more accurately reflect the fluctuation of radiation stress at each moment and each location.     

新疆塔县乔普卡铁矿和山东莱州土山铁矿特征对比

虽然乔普卡铁矿和土山铁矿在地理位置上相隔甚远,但是二者在赋矿层位、磁异常特征、矿体及围岩特征、矿石结构构造、矿物成分和矿石类型以及矿床成因等诸多方面存在着较大的相似性,进一步研究对比二者的共同和异同点,对于寻找此类矿床有一定的指导作用。本文主要在乔普卡铁矿和土山铁矿详查工作和参考前人工作研究的基础上,对比分析了两个铁矿的异同点,从而总结出相邻区域里寻找此类矿床的几个注意点。     

A low-dimensional subsurface model for saturated and unsaturated flow processes: ability to address heterogeneity

A low-dimensional model that describes both saturated and unsaturated flow processes in a single equation is presented. Subsurface flow processes in the groundwater, the vadose zone, and the capillary fringe are accounted for through the computation of aggregated hydrodynamic parameters that result from the integration of the governing flow equations from the bedrock to the land surface. The three-dimensional subsurface flow dynamics are thus described by a two-dimensional equation, allowing for a drastic reduction of model unknowns and simplification of the model parameterizations. This approach is compared with a full resolution of the Richards equation in different synthetic test cases. Because the model reduction stems from the vertical integration of the flow equations, the test cases all use different configurations of heterogeneity for vertical cross-sections of a soil-aquifer system. The low-dimensional flow model shows strong consistency with results from a complete resolution of the Richards equation for both the water table and fluxes. The proposed approach is therefore well suited to the accurate reproduction of complex subsurface flow processes.     

不同氧化还原条件下铅锌矿尾砂中重金属元素活化迁移规律

以广西大厂镇鲁塘铅锌矿尾砂为研究对象,通过淋滤实验研究了不同氧化还原条件下尾砂中Cu、Cd、Zn、Pb和As等元素的活化和迁移规律。结果表明：经高浓度氧化、高浓度还原条件处理的尾矿表现为pH<7的酸性环境,经低浓度氧化环境条件处理的尾砂呈现pH>7的弱酸性至弱碱性环境;尾砂中Cu、Cd元素活化迁移受pH值的影响明显,即高浓度还原和高浓度氧化条件可以促进Cu和Cd元素的迁移,酸性条件对Cu和Cd元素的迁移起到促进作用;Zn与Cd元素存在竞争吸附关系,但二者仍有明显差别;Pb和As元素受到还原条件的影响,能有效促进Pb和As元素的释放迁移。在淋滤实验前期,铅锌矿的表面阻力较小,由于环境酸碱性的改变,初始尾砂对重金属元素的吸附位能发生变化,重金属元素初期迁移能力得到加强;淋滤后期,矿物颗粒表面由于发生氧化还原反应,促使颗粒表面的阻力增加,重金属元素的溶出量减少,迁移能力受到抑制。     

对豫西南两次历史地震的甄别与复核

历史地震调查是核电厂和大型水利枢纽等重大工程建设场地地震安全性评价的重要内容之一。近来，本文作者在参与完成河南核电项目选址阶段地震安全性评价任务的过程中，曾对豫西南地区的历史地震进行过调查。兹将其中两次较为重要的历史地震的甄别与复核结果介绍如下，希望对相关的研究工作和今后修编地震目录有所裨益。     

天然气水合物矿体三维可视化及其Open Inventor实现

在天然气水合物的勘探开发过程中,三维水合物矿体模型的建立,可以定量地描述水合物储层的几何形态和地震属性参数的三维空间分布,并能进行水合物空间展布趋势的验证和预测.本文将Open Inventor三维图形软件包同Visual C++.NET绑定,作为开发工具,实现地震反演波阻抗数据矿体的三维雕刻动态显示、不同属性条件下的BSR曲面显示以及颜色表插值处理等功能.     

A high accurate automated first-break picking method for seismic records from high-density acquisition in areas with a complex surface

As the application of high-density high-efficiency acquisition technology becomes more and more wide, the areas with complex surface conditions gradually become target exploration areas, and the first-break picking work of massive low signal-to-noise ratio data is a big challenge. The traditional method spends a lot of manpower and time to interactively pick first breaks, a large amount of interactive work affects the accuracy and efficiency of picking. In order to overcome the shortcoming that traditional methods have weak anti-noise to low signal-to-noise ratio primary wave, this paper proposes a high accurate automated first-break picking method for low signal-to-noise ratio primary wave from high-density acquisition in areas with a complex surface. Firstly, this method determines first-break time window using multi-azimuth spatial interpolation technology; then it uses the improved clustering algorithm to initially pick first breaks and then perform multi-angle comprehensive quality evaluation to first breaks according to the following sequence: ‘single trace → spread → single shot → multiple shots’ to identify the abnormal first breaks; finally it determines the optimal path through the constructed evaluation function and using the ant colony algorithm to correct abnormal first breaks. Multi-azimuth time window spatial interpolation technology provides the base for accurately picking first-break time; the clustering algorithm can effectively improve the picking accuracy rate of low signal-to-noise ratio primary waves; the multi-angle comprehensive quality evaluation can accurately and effectively eliminate abnormal first breaks; the ant colony algorithm can effectively improve the correction quality of low signal-to-noise ratio abnormal first breaks. By example analysis and comparing with the commonly used Akaike Information Criterion method, the automated first-break picking theory and technology studied in this paper has high picking accuracy and the ability to stably process low signal-to-noise ratio seismic data, has a significant effect on seismic records from high-density acquisition in areas with a complex surface and can meet the requirements of accuracy and efficiency for massive data near-surface modelling and statics calculation.     

9 震前大气电场异常的物理基础

人们认识自然总是从实践到理论,再从理论到实践.没有理论指导的实践是盲目的实践,没有实践基础的理论是空洞的理论,只有理论与实践密切结合,才能有所发现,有所进步.