高温高压下黄铁矿热力学性质的第一性原理研究   总被引：1，自引：0，他引：1  

刘善琪  李永兵  石耀霖 《岩石学报》2018,34(6):1813-1818

黄铁矿是自然界中分布最为广泛的硫化物矿物,同时也是重要的造矿矿物,在金属矿床、沉积岩、变质岩、花岗岩、基性-超基性岩浆岩、以及地幔岩中都有大量出现。因此,研究黄铁矿在不同温度压力下的热力学性质可以为深入探讨与黄铁矿有关的成岩、成矿、成藏问题提供有用的矿物学依据。本文利用基于密度泛函微扰理论的第一性原理方法,采用准谐近似计算了黄铁矿在高温高压下的热力学性质。我们计算的黄铁矿的晶格常数、零压下的体积模量及其对压力的导数与前人的实验及理论计算结果吻合得很好,零压下等压热容和熵随温度的变化与实验结果有很好的一致性。尤其是,本文计算了直至2500K、100GPa的高温高压下黄铁矿的等温体积模量、热膨胀系数、热容和熵等热力学性质。这为在有硫参与的情况下,人们开展下地壳-岩石圈地幔深度的地球动力学模拟和建立地球物理模型提供了有用的信息。  相似文献   

Pseudo-hysteretic double-front hiatus-stage soil water parcels supplying a plant–root continuum: the Green-Ampt-Youngs model revisited     

Anvar Kacimov 《水文科学杂志》2013,58(1):237-248

Abstract

A tension-saturated water slug descends through a homogenous soil after a rainfall (irrigation) event and shrinks due to transpiration by a distributed root-sink and evaporation. The upper (drainage) and lower (imbibition) sharp fronts of the slug separate it from the superjacent and subjacent vadose zones, where water is immobile. In the slug, the hydraulic conductivity is constant according to the Green-Ampt model. The capillary pressures as well as effective porosities on the fronts are given (generally, different) constants that can be viewed as a kind of hysteresis. A volumetric sink models mild (no desaturation of the slug) soil water withdrawal by the plant roots. The sink intensity varies with the depth from the soil surface and with time. Mathematically, the hydraulic head is immediately expressed by double integration of a governing 1-D flow equation. The pressure and kinematic conditions on the fronts result in a Cauchy problem for a system of two ODEs, which is solved by computer algebra routines.

Editor D. Koutsoyiannis

Citation Kacimov, A. and Obnosov, U., 2013. Pseudo-hysteretic double-front hiatus-stage soil water parcels supplying a plant–root continuum: the Green-Ampt-Youngs model revisited. Hydrological Sciences Journal, 58 (1), 1–12.  相似文献   

The Orbit Computation of Binary Black Hole OJ287—A 3.5-th Order Post-Newtonian Approximation     

Wu Shu-guang  Zhang YangFu Zheng-wen 《Chinese Astronomy and Astrophysics》2012

The massive binary black hole OJ287 is a source of intense gravita- tional radiation. To detect the signal of its gravitational waves, a knowledge of the signal waveform will be of great help, and this is mainly determined by the orbital motion of the binary. For this, we carry out a detailed calculation on the orbital motion of OJ287, using the post-Newtonian (PN) approximation up to the 3.5th order within the framework of general relativity. Our result is one order higher than the previous work made by others. As in the process of radiation, there is a time delay from the instance when the secondary black hole impacts on the accretion disk of the primary to the moment of the optical outburst. This time delay has to be taken into consideration when we try to fit the calculating orbit with the observed times of outbursts. Adopting a linear relation between the time delay and the impact distance as an empirical model, we fit the cal- culating orbit with the recent 7 outbursts of OJ287, and obtain the solution of its orbital motion, as well as its averaged orbital parameters. By analyzing the result of 3.5 PN order calculation of the binary system, we find some interesting features. In the early period, the rate of precession of the secondary black hole increases, while in the late period approximate to merging, the rate of precession attains its maximum. Afterwards it diminishes, and finally becomes negative. At present we cannot determine whether this behavior is due to the insuffcient accuracy of the 3.5-th order approximation. For the term of dissipative radiation in the equation of motion, the coeffcients of the 2.5 and 3.5 PN orders possess opposite signs. This implies that the 3.5-th order term represents the absorption of energy from outside. However, the sum of the 2.5-th order and 3.5-th order terms still behaves as radiating gravitational waves outward, the rate of energy variation of the system is negative. The calculated result of this work may be useful for more accurate calculations of the gravitational radiation of OJ287.  相似文献   

大地坐标转换模型及其应用     

鲍建宽  李永利  李秀海 《测绘工程》2013,22(3):56-60

介绍几种主要的坐标转换模型,综合分析各模型的特点和适用范围。针对坐标转换基本模型的选用、转换参数的解算、转换计算的方法、转换计算中值得注意的问题加以研究和探讨。结论对于在测量实践进行局部坐标系和地心坐标系的转换、各局部坐标系间的转换具有参考价值。  相似文献   

Numerical simulations of mantle convection: Time-dependent,three-dimensional,compressible, spherical shell     

Gary A. Glatzmaier 《地球物理与天体物理流体动力学》2013,107(2):223-264

Abstract

We describe nonlinear time-dependent numerical simulations of whole mantle convection for a Newtonian, infinite Prandtl number, anelastic fluid in a three-dimensional spherical shell for conditions that approximate the Earth's mantle. Each dependent variable is expanded in a series of 4,096 spherical harmonics to resolve its horizontal structure and in 61 Chebyshev polynomials to resolve its radial structure. A semiimplicit time-integration scheme is used with a spectral transform method. In grid space there are 61 unequally-spaced Chebyshev radial levels, 96 Legendre colatitudinal levels, and 192 Fourier longitudinal levels. For this preliminary study we consider four scenarios, all having the same radially-dependent reference state and no internal heating. They differ by their radially-dependent linear viscous and thermal diffusivities and by the specified temperatures on their isothermal, impermeable, stress-free boundaries. We have found that the structure of convection changes dramatically as the Rayleigh number increases from 10⁵ to 10⁶ to 10⁷. The differences also depend on how the Rayleigh number is increased. That is, increasing the superadiabatic temperature drop, δT, across the mantle produces a greater effect than decreasing the diffusivities. The simulation with a Rayleigh number of 10⁷ is approximately 10,000 times critical, close to estimates of that for the Earth's mantle. However, although the velocity structure for this highest Rayleigh number scenario may be adequately resolved, its thermodynamic structure requires greater horizontal resolution. The velocity and thermodynamic structures of the scenarios at Rayleigh numbers of 10⁵ and 10⁶ appear to be adequately resolved. The 10⁵ Rayleigh number solution has a small number of broad regions of warm upflow embedded in a network of narrow cold downflow regions; whereas, the higher Rayleigh number solutions (with large δT) have a large number of small hot upflow plumes embedded in a broad weak background of downflow. In addition, as would be expected, these higher Rayleigh number solutions have thinner thermal boundary layers and larger convective velocities, temperatures perturbations, and heat fluxes. These differences emphasize the importance of developing even more realistic models at realistic Rayleigh numbers if one wishes to investigate by numerical simulation the type of convection that occurs in the Earth's mantle.  相似文献   

On the dynamics of 3-D single thermal plumes at various Prandtl numbers and Rayleigh numbers     

Alain P. Vincent  David A. Yuen  David Munger  Guizhi Zhu 《地球物理与天体物理流体动力学》2013,107(2):138-156

Three-dimensional (3-D) numerical simulations of single turbulent thermal plumes in the Boussinesq approximation are used to understand more deeply the interaction of a plume with itself and its environment. In order to do so, we varied the Rayleigh and Prandtl numbers from Ra?～?10⁵ to Ra?～?10⁸ and from Pr?～?0.025 to Pr?～?70. We found that thermal dissipation takes place mostly on the border of the plume. Moreover, the rate of energy dissipation per unit mass ε _T has a critical point around Pr?～?0.7. The reason is that at Pr greater than ～0.7, buoyancy dominates inertia and thermal advection dominates wave formation whereas this trend is reversed at Pr less than ～0.7. We also found that for large enough Prandtl number (Pr?～?70), the velocity field is mostly poloidal although this result was known for Rayleigh–Bénard convection (see Schmalzl et al. [On the validity of two-dimensional numerical approaches to time-dependent thermal convection. Europhys. Lett. 2004, 67, 390--396]). On the other hand, at small Prandtl numbers, the plume has a large helicity at large scale and a non-negligible toroidal part. Finally, as observed recently in details in weakly compressible turbulent thermal plume at Pr?=?0.7 (see Plourde et al. [Direct numerical simulations of a rapidly expanding thermal plume: structure and entrainment interaction. J. Fluid Mech. 2008, 604, 99--123]), we also noticed a two-time cycle in which there is entrainment of some of the external fluid to the plume, this process being most pronounced at the base of the plume. We explain this as a consequence of calculated Richardson number being unity at Pr?=?0.7 when buoyancy balance inertia.  相似文献   

论直流电位场拟解析近似中的电位与电荷反射函数的物理意义     

孙建国 《吉林大学学报(地球科学版)》2012,42(2):545-553

为了避开由大型代数方程组数值求解所带来的问题,将电场反射张量的基本概念和拟解析近似的基本思想引入到了直流电位场的数值模拟中,定义了体电位反射函数、面电荷反射函数和面电位反射函数等3个辅助函数,并给出了其在一般条件下的拟解析近似解和在简单条件下（均匀或点电流源背景场、均匀导电柱体或球体）的分析解。简单的对比分析证明：面电荷反射函数是异常体表面上自由面电荷密度的函数;在简单条件下,这种函数关系转化成为比例关系;类似的结论对于简单条件下的面电位反射函数也成立;然而,在一般条件下难以建立面电位反射函数和自由面电荷密度之间的明确关系。  相似文献   

一种求解应变软化岩体中球腔问题的数值方法     

蒋欢  王水林  王万军 《岩土力学》2016,37(Z2):697-705

均匀地应力场中球形洞室开挖问题可以简化为空间轴对称问题,为分析和评价球形洞室开挖的稳定性,采用有限差分方法对平衡方程与变形协调方程进行离散,将洞室围岩潜在塑性区划分为一系列的球壳,并考虑岩体的应变软化行为,可以得到满足线性Mohr-Coulomb（H-C）准则和非线性Hoek-Brown（H-B）屈服准则的围岩体塑性区范围及相应的应力与变形分布。计算结果表明,随着离散步的增加,数值解逐渐收敛,文中解与已有文献的结果完全吻合,且计算效率更高。对一组强度参数遵循CWFS（黏聚力弱化与摩擦角强化）规律的围岩体内塑性区范围、变形与应力的分布进行了分析,并与常规的应变软化模型的计算结果进行了对比,CWFS模型的结果更合理一些。  相似文献   

一种新的基于局部重力图逼近的组合匹配算法   总被引：2，自引：2，他引：0       下载免费PDF全文

童余德  边少锋  蒋东方  向才炳 《地球物理学报》2012,55(9):2917-2924

惯性导航系统定位误差随时间积累发散,利用重力场辅助惯性导航已成为组合导航领域的新方向,该技术对实现潜艇无源定位意义重大.首先利用二维高斯基函数对局部离散格网重力异常基准图进行逼近获取其解析表达式,在此基础上对传统相关极值匹配算法进行重新建模,采用拟牛顿BFGS非线性寻优方法对该模型进行解算,最终完成基于连续解析形式重力异常基准图的相关极值匹配算法设计.为进一步提高算法性能进行以下两点改进:(1)采用TERCOM算法进行预匹配以缩小寻优范围提高寻优速度;(2)采用差分法减小实测过程中Eötvös效应对重力匹配的影响.最后在2'×2'卫星测高反演重力异常数据库基础上进行了三组对比仿真实验,从实验结果可以看出,在重力测量误差、系统误差及初始定位误差较大的情况下,通过该组合匹配算法获得的匹配定位仍能以较高的精度跟踪真实航迹,且其性能较传统单一匹配算法有较大提高.  相似文献   

Elastic wave modelling method based on the displacement–velocity fields: an improving nearly analytic discrete approximation     

Dinghui Yang  Enru Liu  Guojie Song  Nian Wang 《Journal of Seismology》2009,13(2):209-217

In this paper, we present an improvement to our previously published nearly analytic discrete method (NADM) to solve acoustic and elastic wave equations. We compare the numerical errors of the improved NADM with the original NADM and also the fourth-order Lax–Wendroff correction and present examples of three-component wave fields in 2D transversely isotropic media with strong velocity contrasts. Comparing with the original NADM, we find that the improved method requires significantly less storage space and can increase the time accuracy from second order of the original NADM to fourth order, while the space accuracy remains the same as that of the original one. Theoretical analyses and numerical results suggest that our improved NADM is suitable for large-scale numerical modelling as it can effectively suppress numerical dispersion and source-generated noises caused by discretising wave equations when too-coarse grids are used.  相似文献