Hydrogen Incorporation in Crystalline Jadeite: Insight from First Principles Calculations

Hydrogen incorporation is critical for explaining defect energies, structure parameters and other physical characteristics of minerals and understanding mantle dynamics. This work analyzed the hydrogen complex defects in jadeite by the plane-wave pseudo-potential method based on density functional theory, and optimized the atomic positions and lattice constants in all configurations(different defective systems). Incorporation mechanisms considered for hydrogen(H) in jadeite include:(1) hydrogen incorporating with the O2 site oxygen and coexisting with M2 vacancy;(2) one H atom combined with an Al atom replacing Si in tetrahedron;(3) 4H atoms directly replacing Si in tetrahedron and(4) 3H atoms replacing Al on the M1 site. The four incorporation mechanisms mentioned above form the corresponding V_(Na)-H_i, Al_(Si)-H_i, V_(Si)-4H_i and V_(Al)-3H_i point defects. The molecular dynamics simulation to the ideal, V_(Na)-H_i, Al_(Si)-H_i, V_(Si)-4H_i and V_(Al)-3H_i point defects under the P-T conditions of 900 K, 2 GPa, the V_(Na)-H_i and Al_(Si)-H_i point defects under different pressures at T = 900 K, and Al_(Si)-H_i point defects under different temperatures at P = 3 GPa was performed to examine the preferential mode of hydrogen incorporation in jadeite by means of first-principles calculations. The calculations show that the averaged O–H bond-length in the hydrogen point defects system decreased in the order of Al_(Si)-H_i, V_(Na)-H_i, V_(Si)-4H_i and V_(Al)-3H_i. V_(Na)-H_i complex defects result in a contraction of the jadeite volume and the presence of Al_(Si)-H_i, V_(Si)-4H_i and V_(Al)-3H_i defects could increase the supercell volume, which is the most obvious in the V_(Al)-3H_i defects. The energy of formation of Al_(Si)-H_i and V_(Al)-3H_i complex defects was much lower than that of other defect systems. The V_(Al)-3H_i defects system has the lowest energy and the shortest O–H bond-length, suggesting that this system is the most favorable. The analytical results of vacancy formation energy, O–H bondlength, and the stability of the hydrogen defects in jadeite have suggested that the preferred hydration incorporation mode in jadeite is V_(Al)-3H_i complex defect.     

利用测井资料研究储层的孔隙结构

以岩芯孔隙结构分析为基础，通过分析表征孔隙结构参数的静态模型， 依据现场数据得到了求解孔隙结构参数的白化方程，从而阐明了用测井资料 求解孔隙结构参数的可行性。通过2个实例的分析表明，可以用声波时差、感 应电导、自然电位等常规测井方法准确地求取孔喉半径、喉道分选系数等孔 隙结构参数。为储层微观非均质性研究打下了基础以及为储层评价提供了有 用的手段，直接指导了油田生产及调整开发措施的实施。     

DH油田隔夹层测井识别研究

在储层中隔夹层引起的渗流屏障和渗流差异,是影响剩余油分布的重要因素。非均质性研究是油藏三维地质建模的重要内容,因此隔夹层研究是东河砂岩非均质性不可缺少的研究内容。针对东河砂岩低阻、非均质性较强的储层特征,这里以岩芯物性为基础,测井资料为依据,将DH油田东河砂岩隔夹层分为三类。在孔隙度、渗透率精细计算基础上,建立隔夹层测井识别标准。对东河砂岩单井隔夹层进行系统识别,并做多井对比,研究隔夹层空间分布特征,取得了较好的效果。     

Constrained Edge Dynamic Deleting in CD-TIN Based on Influence Domain Retriangulation of Virtual Point

Constrained Delaunay triangulated irregular network is one kind of dynamic data structures used in geosciences. The research on point and edges insertion in CD-TIN is the basis of its application. Comparing with the algorithms of points and constrained edge insertion, there are very a few researches on constrained edge deletion in CD-TIN. Based on the analysis of the polymorphism of constrained edge, virtual points are used to describe the intersection of constrained edges. A new algorithm is presented, called as influence domain retriangulating for virtual point (IDRVP), to delete constrained edges with virtual points. The algorithm is complete in topology. Finally, the algorithm is tested by some applications cases.     

松辽盆地松科1井晚白垩世沉积地层有机地球化学研究

松科1井是中国大陆第一口以白垩系陆相地层为主的全取心科学探井。通过取心样品的系统地球化学分析,研究了泥岩有机质丰度、类型、成熟演化及有机质沉积环境在纵向上的变化特征。结果表明:青一段泥岩有机质丰度最高,有机碳一般大于2%,平均为3.21%,发育优质烃源岩,其次在青二、三段、姚家组和嫩江组一、二段中也均发育有机质丰度相对较高的源岩层。纵向上泥岩有机质丰度显示出从高向低的9个韵律性变化,反映了湖相沉积过程中气候与水体环境、生物发育及有机质保存条件的周期性变化。青一段泥岩有机质类型主要为Ⅰ型,较高的甾烷含量反映以藻类输入为主,较高的伽马蜡烷和低的Pr/Ph及甲藻甾烷的存在反映该时期水体具有盐度分层和强还原的沉积环境,可能与海侵有关。青二、三段泥岩有机质类型主要为Ⅰ—Ⅱ型,伽马蜡烷和Pr/Ph等多项指标反映出该时期水体呈现振荡变化,有机质受陆源影响加大。姚家组有机质类型变化大,一部分为Ⅰ—Ⅱ1型,另一部分则Ⅱ2—Ⅲ型,较高丰度的泥岩通常具有较好的有机质类型,多项指标反映出该时期沉积环境波动较大。嫩江组一、二段泥岩主要以Ⅰ型和Ⅱ型为主,4-甲基甾烷的存在反映具有沟鞭藻的贡献,较高的伽马蜡烷和低的Pr/Ph反映水体有盐度分层。有机质成熟度指标反映青二、三段中部泥岩开始进入成熟,源岩开始大量生油的深度在1500m。     

甚低频电磁法在河南省竹园铜矿的应用

简要叙述了甚低频电磁法的方法技术，并以河南省西峡县竹园铜矿为例，介绍了甚低频法寻找铜多金属硫化物矿床的显著效果。结合工作效果，对甚低频法的不足之处提出了3点看法。     

An edge-based smoothed point interpolation method for elasto-plastic coupled hydro-mechanical analysis of saturated porous media

An edge-based smoothed point interpolation method is adopted for coupled hydro-mechanical analysis of saturated porous media with elasto-plastic behaviour. A novel approach for the evaluation of the coupling matrix of the porous media is adopted. Stress integration is performed using the substepping method, and the modified Newton-Raphson approach is utilised to address the nonlinearities arising from the elasto-plastic constitutive model used in the formulation. Numerical examples are studied and the results are compared with analytical solutions and those obtained from the conventional finite element method (FEM) to evaluate the performance of the proposed model.     

气举反循环钻井技术在超深地热井钻探中的应用

本文通过地热钻井气举反循环施工实例,说明其钻井深度可以达到4000m以下的深度。     

稀无控制点无人机遥感影像几何定位方法研究

无人机以机动灵活、作业周期短和成本低等优势被广泛应用于基础测绘等领域。然而无人机航摄系统采集像片通过传统方法需要密集分布控制点,导致作业成本增加及生产效率下降影响经济效益。为此,在考虑到航测相机曝光延迟的基础上提出基于GPS辅助空中三角测量的稀无地面控制点的无人机遥感影像高精度几何定位方法,并通过实际测试生产数字线划图(DLG)和数字正射影像图(DOM),可满足1∶1000地形图测绘的技术要求,其高效率、低成本的生产模式较常规方法更具有推广意义,尤其是在西部测图以及岛礁测量人烟稀少人员很难或无法到达且使用常规测量方法无法满足成图要求的区域。