Atomistic calculations of structural and elastic properties of serpentine minerals: the case of lizardite   总被引：1，自引：0，他引：1  

A.-L. Auzende  R. J.-M. Pellenq  B. Devouard  A. Baronnet  O. Grauby 《Physics and Chemistry of Minerals》2006,33(4):266-275

The physical properties of the hydrous phyllosilicate lizardite have been investigated by atomistic simulation using the GULP code based on transferable semi-empirical interatomic potentials. Lizardite behavior was first investigated during structure relaxation at room temperature. The Helmholtz free energy is minimum for an equilibrium structure that is in agreement with experiment. The bulk, shear, and Young modulii for lizardite were calculated along with the Poisson ratio. From the shear and bulk modulii, we also calculated translational and longitudinal acoustic wave velocities that are important quantities for tectonophysics models. As expected, lizardite is stiffer in the a direction parallel to the layers than in the c perpendicular direction; the variation of the unit cell parameters with pressure is in good agreement with experiment. The cohesive energy between two successive layers along c direction was calculated at 0.33 eV (i.e., 0.11 eV per OH bond) in good agreement with recent ab initio calculations. Upon pressure and temperature variations, we evidenced that structural changes are mainly pressure induced; pressure being accommodated by a decrease of the c parameter up to 10 GPa. We also found that the change of slope in the derivative of the c cell parameter with respect to pressure occurring around 2 GPa originates from the bending of the interlayer hydroxyl groups with respect to the layer normal direction.  相似文献   

Traction image method for irregular free surface boundaries in finite difference seismic wave simulation   总被引：16，自引：1，他引：16  

Wei Zhang  Xiaofei Chen 《Geophysical Journal International》2006,167(1):337-353

In this study, we propose a new numerical method, named as Traction Image method, to accurately and efficiently implement the traction-free boundary conditions in finite difference simulation in the presence of surface topography. In this algorithm, the computational domain is discretized by boundary-conforming grids, in which the irregular surface is transformed into a 'flat' surface in computational space. Thus, the artefact of staircase approximation to arbitrarily irregular surface can be avoided. Such boundary-conforming gridding is equivalent to a curvilinear coordinate system, in which the first-order partial differential velocity-stress equations are numerically updated by an optimized high-order non-staggered finite difference scheme, that is, DRP/opt MacCormack scheme. To satisfy the free surface boundary conditions, we extend the Stress Image method for planar surface to Traction Image method for arbitrarily irregular surface by antisymmetrically setting the values of normal traction on the grid points above the free surface. This Traction Image method can be efficiently implemented. To validate this new method, we perform numerical tests to several complex models by comparing our results with those computed by other independent accurate methods. Although some of the testing examples have extremely sloped topography, all tested results show an excellent agreement between our results and those from the reference solutions, confirming the validity of our method for modelling seismic waves in the heterogeneous media with arbitrary shape topography. Numerical tests also demonstrate the efficiency of this method. We find about 10 grid points per shortest wavelength is enough to maintain the global accuracy of the simulation. Although the current study is for 2-D P-SV problem, it can be easily extended to 3-D problem.  相似文献   

考虑滑脱效应和温度场的煤层气渗流数值模拟     

肖晓春  潘一山 《中国地质灾害与防治学报》2006,17(3):91-95

由于煤层气的解吸热效应,煤层气的运移过程是一个非等温过程。因此,温度场对煤层气渗流有着重要的影响。前人在研究煤层气渗流规律的研究中并没有同时考虑滑脱效应和温度场因素的影响,而在实际的深部开采中综合考虑滑脱效应和温度场的影响对研究深部煤层气运移规律有着重要的意义。因此本文建立了考虑滑脱效应及温度场的煤层气渗流数学模型,利用有限元数值方法研究了考虑滑脱效应和温度场耦合的煤层气运移规律;研究了考虑滑脱效应和温度场对压力场分布的影响;对考虑滑脱效应及温度场因素的煤层气产量进行了预测。得出了随着温度的升高煤储层的压力在降低,温度的升高对煤层气的产量有着负面的影响这一重要结论。  相似文献   

库车坳陷侏罗系煤成气动力学模拟研究   总被引：1，自引：0，他引：1  

周强  李贤庆  杨园园  田辉  申家贵 《中国煤田地质》2006,18(1):24-27

应用黄金管—高压釜封闭体系热模拟实验与GC、GC-IRMS分析技术,结合KINETICS专用软件,对库车坳陷侏罗系煤成气进行了动力学模拟研究。库车坳陷侏罗系煤具有高的产气性,在高演化阶段主要产甲烷气;侏罗系煤热解气甲烷碳同位素为-36‰～-25‰,乙烷碳同位素为-28‰～-16‰;甲烷、C2-C5气态烃的生成活化能分别为(47～64k)calm/ol、(55～72k)calm/ol,频率因子各为5.265×1013s-1、5.388×1018s-1。在此基础上,进一步探讨了克拉2气田天然气的成因。研究认为,克拉2气田天然气属阶段捕获的煤成气,主要聚集了5～1Ma时期的天然气,其成熟度Ro分布范围为1.3%～2.5%。  相似文献   

Spectral Simulation and Conditioning to Local Continuity Trends in Geologic Modeling     

Tingting Yao  Craig Calvert  Tom Jones  Glen Bishop  Yuan Ma  Lincoln Foreman 《Mathematical Geology》2006,38(1):51-62

Spectral simulation has gained application in building geologic models due to the advantage of better honoring the spatial continuity of petrophysical properties, such as reservoir porosity and shale volume. Distinct from sequential simulation methods, spectral simulation is a global algorithm in the sense that a global density spectrum is calculated once and the inverse Fourier transform is performed on the Fourier coefficient also only once to generate a simulation realization. The generated realizations honor the spatial continuity structure globally over the whole field instead of only within a search neighborhood, as with sequential simulation algorithms. However, the disadvantage of global spectral simulation is that it traditionally cannot account for the local information such as the local continuity trends, which are often observed in reservoirs and hence are important to be accounted for in geologic models. This disadvantage has limited wider application of spectral simulation in building geologic models. In this paper, we present ways of conditioning geologic models to the relevant local information. To account for the local continuity trends, we first scale different frequency components of the original model with local-amplitude spectrum ratios that are specific to the local trend. The sum of these scaled frequency components renders a new model that displays the desired local continuity trend. The implementation details of this new method are discussed and examples are provided to illustrate the algorithm.  相似文献   

GPS观测数据的模拟研究   总被引：16，自引：0，他引：16  

韩保民  欧吉坤  曲国庆 《武汉大学学报(信息科学版)》2005,30(3):246-250

主要研究了地面基准站GPS观测值模拟情况．分析了GPS观测值模拟的意义、原理及流程、用到的数学模型等。并用编写的模拟软件模拟了武汉站的GPS观测值情况。结果表明，本模拟方法所模拟的GPS观测值和实测值很接近，能满足不同层次人员对GPS模拟观测值的需要。  相似文献   

地学自由曲面径向基函数网络重建的详细算法   总被引：3，自引：0，他引：3  

陈明  何凯涛  王全明 《物探化探计算技术》2005,27(1):75-77

径向基函数(RadialBasisFunction,简称RBF)神经网络是一种理想的地学离散数据网格化工具,能够适应各种不同分布形式和边界条件的数据,收敛速度较快,可以逼近任何复杂曲面。这里详细介绍了RBF神经网络的算法。适当径向基函数的形式和偏差系数是使用RBF神经网络作地学曲面重建的关键。大量的实际数据验证结果表明,当选用Gauss型径向基函数时,一般可获得比较理想的网格化效果,同时具备"曲面平滑"和"拟合度高"的特点。  相似文献   

基于GIS技术的综合水文物探数据库系统研究     

何昭友  刘树才  邰伟鹏 《物探化探计算技术》2005,27(4):327-330

利用GIS的强大空间数据架构功能，将各类水文物探数据与空间数据相关联，建立了基于GIS技术的综合水文物探系统。水文物探数据量大，而且复杂多变，本系统利用新兴的GIS技术和数据库功能对水文物探属性数据与空间数据进行有效的整合，高效地管理空间与属性数据，实现了图形编辑、空间分析、数据的查询与统计、专题图绘制、以及数值模拟等功能。利用本系统可对图形进行空间处理分析，对各类数据进行各种查询，实现图形和数据的互动，并对所获得的数据制作各种专题图，并且通过数值模拟具体、直观的再现观测实体的空间位置与相应的属性，为综合预测与评估提供科学依据。  相似文献   

鄂尔多斯盆地石炭纪中央古隆起形成机制   总被引：1，自引：4，他引：1  

王庆飞  邓军  黄定华  高帮飞  徐浩 《现代地质》2005,19(4):546-550,595

将鄂尔多斯盆地简化为受南北挤压的等厚各向同性弹性薄板模型进行应力—应变场数值模拟,力图揭示鄂尔多斯地区石炭纪出现的细腰状中央古隆起的形成机制。模拟中Z轴方向应变(εz)正值区对应于盆地内部的隆起区,zε正等值线形态对应于隆起形态;单轴挤压条件下,εz正等值线总会呈现沿应力轴方向延伸的细腰状形态;点作用力产生的zε正等值线范围局限,而线作用力产生的εz正值区分布较广。模拟结果表明鄂尔多斯盆地石炭纪细腰状隆起是在南北边界受挤压条件下,应力—应变在盆地内部传递过程中所必然出现的结果,南北向点作用力比南北向线作用力产生的zε等值线形态更接近于鄂尔多斯盆地中央古隆起形态;点作用力可能代表了石炭纪微板块间的点碰撞或者弧—陆碰撞。  相似文献   

引黄水在北大港水库蓄存期水质咸化的研究   总被引：10，自引：0，他引：10       下载免费PDF全文

赵文玉  王启山  吴国平  吴立波  孙增峰  郑力燕 《水科学进展》2005,16(6):763-766

依据引黄水在北大港水库蓄存期水质咸化的事实以及传质理论,定性地分析了引黄水水质咸化的主要原因,包括盐碱土传质作用、蒸发浓缩作用以及风的扰动加速传质作用等.在北大港水库旁修建了一个模拟试验水池,进行了现场模拟试验研究.依据水量平衡和氯离子总量平衡的原理,分别定量地计算了传质作用和蒸发浓缩作用对水质咸化影响的比重.结果表明,在模拟水池蓄水后的30 d内,传质作用对水质咸化影响的比重有随时间增加而增长的趋势;30 d后,传质作用对水质咸化影响的比重稳定在80%,蒸发浓缩作用对水质咸化影响的比重稳定在20%,说明导致水质咸化的最主要因素是盐碱土传质作用.  相似文献