共查询到20条相似文献，搜索用时 578 毫秒
1.
由三维离散数据生成四面体格网算法研究 总被引：2，自引：0，他引：2
在资源、环境、工程勘探等领域中, 由三维离散数据生成四面体格网, 对三维空间的判断分析, 并得出一些未知的三维空间体的分布信息具有重要意义.在分析三角网生成算法的基础上, 给出了3个建立四面体格网的算法思想及步骤: (1) 四面体格网生成算法.在数据场中先构成第1个四面体, 然后以四面体的某个面向外扩展生成新的四面体, 直至全部离散点均已连成网为止. (2) 逐次插入算法.将未处理的点加入到已经存在的四面体格网中, 每次插入一个点, 然后将四面体格网进行优化. (3) 分治算法.首先将数据排序, 然后递归地分割数据点集, 直至子集中只包含4个点而形成四面体, 然后自下而上地逐级合并生成最终的四面体格网. 相似文献
2.
硅酸盐结构中四面体层立体结构式的表述法 总被引：2，自引：0，他引：2
本文创造一个用立体结构式表述四面体层的方法。首先用四面体Ｕ、Ｄ、Ｖ、Ｈ定向符号组合成结构基元或结构单元。其次把它们在二维空间平移交换（包括平移、滑移、旋转—平移、反伸—平移），得出四面体层的基本符号格式。最后在其固定的位置上标出平移变换的距离和方向、四面体层的厚度和层间连接方式，完成四面体层的立体结构式。由于某些架状硅酸盐结构，可看成是四面体层的叠加，因此，用立体结构式也可表述。 相似文献
3.
Y. Kuwahara 《Physics and Chemistry of Minerals》2001,28(1):1-8
The surface structure of the tetrahedral sheet of dioctahedral mica muscovite was compared to that of the tetrahedral sheet
of trioctahedral mica phlogopite using atomic force microscopy (AFM). AFM revealed distinct structural differences between
the tetrahedral sheet surfaces of the two micas. The hexagonal ring in the AFM image of muscovite elongates in the [3 1 0]
direction, and the groove runs perpendicular to the [3 1 0] direction. On the phlogopite surface, the hexagonal ring contracts
slightly in the a axis direction, but the groove is not apparent. These results were consistent with the bulk structure data of the two micas
determined by X-ray diffraction (XRD).
The degree of surface relaxation was much larger in muscovite than in phlogopite. In muscovite, the interlayer K reduces the
amount of tetrahedral rotation that actually occurs, since the interlayer K is too large for its hexagonal hole after full
tetrahedral rotation. Thus, it is naturally expected that muscovite will show more tetrahedral rotation after removal of the
interlayer K. It is also expected that muscovite will show more tilting of SiO4 tetrahedra after cleaving, since an attractive force between the hydrogen in the OH group and the lower basal oxygen should
be in operation, due to the decreased distance between them following interlayer K removal.
Received: 14 March 2000 / Accepted: 29 July 2000 相似文献
4.
Embaie Ferrow 《Physics and Chemistry of Minerals》1987,14(3):276-280
Mössbauer effect, (ME) and powder X-ray diffraction, (XRD) have been used to study the relationship between cationic size, tetrahedral layer rotation, octahedral layer flattening, stability, and Mössbauer quadrupole splitting, qs, of iron bearing trioctahedral micas. Tetrahedral layer rotation accounts for much of the lattice adjustment but biotites that require an angle of rotation higher than 21 degrees are not stable. Both experimental and computational data show that qs for Fe3+ (IV) increases with increasing degree of tetrahedral layer rotation. A systematic increase of qs for Fe2+ (VI) is also observed, but this could be due to factors other than tetrahedral layer rotation. 相似文献
5.
David A. McKeown 《Physics and Chemistry of Minerals》1989,16(7):678-683
Al X-ray absorption K-edge spectra were calculated for atom clusters which simulate Al surrounded by oxygens in tetrahedral and octahedral environments in five minerals, and are compared with experimental Al K-edge spectra from the same minerals. The experimental data show simple edges, for Al tetrahedra, that are shifted to lower energy by 2 eV compared with more complicated edges for Al octahedra. The calculated edge itself is due to a strong 1s to 3p resonance in the μ0 for Al. The shifting of the calculated edges is due to different molecular potentials used and different types of atomic scattering. The calculated edge features for tetrahedral Al are all similar, and are due primarily to single scattering from the tetrahedral oxygens. Calculated edge features for octahedral Al are more complicated and are dominated by multiple scattering. The calculated edge features resemble the experimental data, but are much larger in amplitude than their experimental counterparts. 相似文献
6.
提出了一种由平面三角网格自动生成三维空间四面体单元网格的方法,其基本思路是将含水层平面分成三角形单元网格,将每个三角形沿垂直方向对应一个三棱柱,作为最初的三棱柱;依次将每个三棱柱按照潜水面位置和分层信息划分成不同数目的四面体,从而生成三维空间四面体单元网格。剖分结果表明,此方法综合考虑了潜水面的位置和各含水层顶底板的起伏情况,能够简洁地生成层面起伏的空间四面体网格,特别适用于刻画潜水面波动、含水层顶底板起伏和存在透镜体或岩性缺失等含水层结构复杂的情况下,自动地剖分并生成单元信息,为三维计算的实现奠定了基础。 相似文献
7.
8.
The phase relations of quaternary systems are generally represented by projections onto ternary compositional planes. Such
projections often obscure relationships that would only be evident in a three-dimensional tetrahedral plot. The tetrahedral
plot requires that compositions of the minerals and melts be transformed into Cartesian coordinates. It is shown here how
this transformation is carried out. The application is demonstrated by tetrahedral plots of experimental melt compositions
of partially molten lherzolite. Furthermore, the plot can be used to evaluate whether or not a particular basaltic composition
represents a primary melt. The methods are applicable to any four-component system. 相似文献
9.
I. W. M. Brown C. M. Cardile K. J. D. MacKenzie M. J. Ryan R. H. Meinhold 《Physics and Chemistry of Minerals》1987,15(1):78-83
The 29-Si NMR spectra of natural and synthetic leucites (KAlSi2O6) are found to contain a number of resonances which are interpreted in terms of the known structure of low-temperature (tetragonal) leucite. Computer simulation of the spectra suggests that the most distorted tetrahedral lattice site T 1 contains a higher proportion of Al than the other two tetrahedral sites. The occurrence of some ordering of the tetrahedral Si and Al in leucite is confirmed by Mossbauer studies of synthetic iron-containing leucites, including the fully ferric end-member KFeSi2O6, in which the three tetrahedral sites can be distinguished. On replacement of about half this Fe by Al, the most distorted of these sites is lost from the spectrum, reflecting the preference of Al for this site. A linear relationship is found between the unit cell dimensions of all these leucites and their iron content. 相似文献
10.
R. L. Withers J. G. Thompson Y. Xiao R. J. Kirkpatrick 《Physics and Chemistry of Minerals》1994,21(7):421-433
The results of a detailed TEM study of the low frequency modes of distortion of high temperature SiO2-tridymite and their relationship to the extensive structural polymorphism of tridymite are presented. It is found that low energy modes of distortion of the ideal tridymite tetrahedral framework structure give rise to a strong and extremely characteristic diffuse intensity distribution (which can be broken into two component types) for the two highest temperature polymorphs of tridymite. Experimental results strongly suggest that this observed diffuse distribution is not a result of irreversible beam damage but is rather an intrinsic property of the ideal tridymite tetrahedral framework structure. The diffuse intensity distribution is closely related to the lower temperature polymorphs of tridymite — in particular, the primary modulation wave-vectors of these low temperature polymorphs always fall on the higher temperature diffuse distribution. The first type of diffuse distribution appears to result from coupled tetrahedral edge rotation of 〈110〉 columns of corner-connected SiO4 tetrahedra (uncorrelated from column to column as a result of the tetrahedral connectivity of the ideal tridymite framework structure). The real space structural origin of the second curved type of diffuse distribution, however, remains unclear. 相似文献
11.
The 29Si and 27Al nuclear magnetic resonance (NMR) analysis of synthetic trioctahedral phyllosilicates 2:1, with tetrahedral ratios Al
T/(Si + Al
T) ranging from 0 to 0.5, has shown that the ditrigonal distortion of tetrahedral rings (angle ) is the main factor controlling chemical shift values of tetrahedral components in both signals. The increase of ditrigonal rotation angle shifts these components towards more positive values. For each sample, the composition of tetrahedral and octahedral sheets determine the value of , and from this parameter, the mean tetrahedral Tot angle and the chemical shift values of components are deduced. For a given environment, variations on ditrigonal angle are responsibles for the observed evolution of chemical shift values with bulk composition. The comparative analysis of micas and saponite samples has demonstrated that the location of compensating charge (interlayer and octahedral sheet) does not affect chemical shift values. 相似文献
12.
The high temperature (β) phases of SiO2 cristobalite and quartz are studied by performing molecular dynamics simulations using a model which allows easy analysis
of tetrahedral motions. The dynamic nature of the disordered high-temperature phase of cristobalite is attributed to rigid
unit mode (RUM) excitations, and it is found that the entire spectrum of RUMs is responsible for the disorder. Comparisons
of the results of β-cristobalite with those of β-quartz lead to the conclusion that framework structures with high degrees
of geometric flexibility, and hence many RUMs, are free to deform through cooperative tetrahedral rotations even in the limit
of extremely large tetrahedral stiffnesses.
Received: 10 March 1998 / Revised, accepted 15 January 1999 相似文献
13.
Y. Kuwahara 《Physics and Chemistry of Minerals》1999,26(3):198-205
The surface structure of muscovite was imaged using an atomic force microscope (AFM) in contact mode in water. The following three types of AFM images were observed: (1) those showing clearly the arrangement of hexagonal rings of SiO4 tetrahedra; (2) those showing a hexagonal array of bright spots separated by a distance of about 5.3 Å; and (3) those changing gradually from image (2) to image (1). Image (1) successfully provides information on the tetrahedral tilt and basal surface corrugation that are particularly characteristic of dioctahedral micas. The mean unit cell dimensions for the muscovite surface measured from Image (1) were slightly longer than those of the bulk structure, due to the rehydration of the tetrahedral sheet and/or surface relaxation. Image (2) was made by varying the scan angles, even on the same surface in which Image (1) was obtained. Image (3) has information on a single plane rather than on two or more planes involving steps, kinks and so on. Therefore, what is depicted in Images (2) and (3) is not the arrangement of interlayer K ions but the basal plane of the tetrahedral sheet. Some structural relaxation of the tetrahedral sheet surface was also observed. Gradual expansion and contraction of hexagonal rings were randomly found on the muscovite surface. The surface relaxation results from a tetrahedral rotation and/or tilting after cleaving, since significant variations of both distances and bond angles between adjacent SiO4 tetrahedra on the surface were found. 相似文献
14.
基于经典三维Delaunay四面体网格的生成算法,介绍了一种三维约束Delaunay三角化网格划分算法,通过对约束的恢复和局部退化的消除,保证了边界的一致性和网格的惟一性,实现了三维约束区域的四面体网格自动生成;通过对四面体的外接球半径与其最短边长度的比值（记为a）和四面体体积与其外接球体积的比值（记为n）的控制,避免质量不佳的单元,使生成的网格达到预期的质量要求,并提出了一种a和n的计算方法,简化了质量参数的计算过程;对几何形状复杂,特别是含有薄层的实体,可通过在实体上增加约束来提高网格的质量和缩短计算时间,使该方法能够实现岩土工程中不同地质条件下的复杂区域的三维有限元网格自动生成,并且能够保证生成的网格质量较好,为高精度的有限元计算提供了充分条件。计算实例表明,该算法能够将复杂三维实体剖分成质量较好的Delaunay四面体网格,可有效地应用于工程中有限元网格的生成。 相似文献
15.
Ti-spessartite, Ti-andradite and its indium homolog, Ca3In2(Si, Ti)3O12, have been synthesized and investigated by infrared (ir) spectroscopy. The use of isotopic species (46Ti-50Ti) gives the unequivocal proof that some of the additional bands observed in the 800–600 cm?1 region are due to TiO4 tetrahedra. For Si-Ti replacements up to 10 mol%, the localization of Ti on the available tetrahedral sites depends on the nature of the cations. For the In garnet all (or nearly all) Ti is located on tetrahedral sites; in Ti-andradite Ti is distributed over tetrahedral and octahedral sites, tetrahedral sites being thus occupied, in part by Ti (ir band near 700 cm?1) and in part by Fe (ir band near 650 cm?1); and Ti-spessartite the presence of Ti on tetrahedral sites is doubtful, these sites being essentially occupied by Al. 相似文献
16.
A simple three-dimensional heat transfer model is developed to consider the hindering effect of cracks on heat transfer. The 3D heat transfer model can also be applied to numerical methods such as the combined finite-discrete element method (FDEM), discrete element method (DEM), discontinuous deformation analysis (DDA), the numerical manifold method (NMM), and the finite element method (FEM) to construct thermo-mechanical coupling models that allow these methods to solve thermal cracking problems and dynamically consider the hindering effect of cracks on heat transfer. In the 3D heat transfer model, the continuous-discontinuous medium is discretized into independent tetrahedral elements, and joint elements are inserted between adjacent tetrahedral elements. Heat transfer calculations for continuous-discontinuous media are converted to heat conduction in tetrahedral elements and the heat exchange between the adjacent tetrahedral elements through the joint element. If the joint element between adjacent tetrahedral elements breaks (ie, a crack generates), the heat exchange coefficient of the joint element is reduced to account for the hindering effect of cracks on heat conduction. Then the model and the FDEM are combined to build a thermo-mechanical coupling model to simulate thermal cracking. The thermally induced deformation, stress, and cracking are investigated by the thermo-mechanical coupling model, and the numerical results are compared with analytical solutions or experimental results. The 3D heat transfer model and thermo-mechanical model can provide a powerful tool for simulating heat transfer and thermal cracking in a continuous-discontinuous medium. 相似文献
17.
Observed S—O bond lengths for sulfate tetrahedral oxyanions isolated from crystalline solids correlate with the tetrahedral angles impressed upon these ions by their environments. An algorithm is presented which can account for more than 90 percent of the S—O bond length variations from a consideration only of the average of the three angles common to each bond. Extended Hückel molecular orbital theory serves to rationalize these correlations by relating changes in bond overlap population (i.e., bond strength) to angular distortions of sulfate ions observed in a large number of natural and synthetic compounds. 相似文献
18.
Analytical expressions are derived for the Poisson's ratios associated with a three-dimensional network of regular, corner-sharing
tetrahedra in which: (1) the tetrahedra are assumed to be rigid and free to rotate relative to each other; (2) the tetrahedra
are assumed to maintain shape and orientation but are free to change size (dilate); (3) tetrahedral rotation and dilation
are assumed to act concurrently. The structure has a primitive unit cell containing four tetrahedra and is analogous to the
molecular structure of α-cristobalite. Strain-dependent variations in Poisson's ratio are also predicted by the models. For
deformation due to tetrahedral rotation the network is found to exhibit negative Poisson's ratios in each of the three principal
directions, with the magnitude of the Poisson's ratio being dependent on the angle of rotation of the tetrahedra. The behaviour
of the Poisson's ratio is isotropic in the transverse plane, but anisotropic elsewhere. In the dilation model negative Poisson's
ratios equal to −1 are observed for uniaxial loading in any of the principal directions, with the value being constant irrespective
of tetrahedral size. The model for concurrent tetrahedral rotation and dilation allows positive as well as negative Poisson's
ratios, with the values determined by the framework geometry and relative strengths of the two mechanisms. The concurrent
model also offers a design route to materials and structures having ultrahigh Young's moduli.
Received: 15 February 2000 / Accepted: 1 October 2000 相似文献
19.
20.
Geometrical changes induced by cation substitutions {Si4+/Al3+}[Mg2+/Al3+], {2Si4+/2Al3+} [2Mg2+/2Al3+], {Si4+/Fe3+} [Mg2+/Al3+] or [Mg2+/Fe3+], where {} and [] indicate tetrahedral and octahedral sheet in lizardite 1T, are studied by ab-initio quantum chemistry calculations. The majority of the models are based on the chemical compositions
reported for various lizardite polytypes with the amount of Al in the tetrahedral sheets reported to vary from 3.5% to 8%
in the 1T and 2H
1, up to ~30% in the 2H
2 polytype. Si4+ by Fe3+ substitution in the tetrahedral sheet with an Al3+ (Fe3+) in the role of a charge compensating cation in the octahedral sheet is also examined. The cation substitutions result in
the geometrical changes in the tetrahedral sheets, while the octahedral sheets remain almost untouched. Substituted tetrahedra
are tilted and their basal oxygens pushed down from the plane of basal oxygens. Ditrigonal deformation of tetrahedral sheets
depends on the substituting cation and the degree of substitution. 相似文献