Computational study of tetrahedral Al–Si and octahedral Al–Mg ordering in phengite

 As part of a wider study of the nature and origins of cation order–disorder in micas, a variety of computational techniques have been used to investigate the nature of tetrahedral and octahedral ordering in phengite, K₂ ^[6](Al₃Mg)^[4](Si₇Al)O₂₀(OH)₄. Values of the atomic exchange interaction parameters J _n used to model the energies of order–disorder were calculated. Both tetrahedral Al–Si and octahedral Al–Mg ordering were studied and hence three types of interaction parameter were necessary: for T–T, O–O and T–O interactions (where T denotes tetrahedral sites and O denotes octahedral sites). Values for the T–T and O–O interactions were taken from results on other systems, whilst we calculated new values for the T–O interactions. We have demonstrated that modelling the octahedral and tetrahedral sheets alone and independently produces different results from modelling a whole T–O–T layer, hence justifying the inclusion of the T–O interactions. Simulations of a whole T–O–T layer of phengite indicated the presence of short-range order, but no long-range order was observed. Received: 8 August 2002 / Accepted: 14 February 2003 Acknowledgements The authors are grateful to EPSRC (EJP) and the Royal Society (CIS) for financial support. Monte Carlo simulations were performed on the Mineral Physics Group's Beowulf cluster and the University of Cambridge's High Performance Computing Facility.     

蓟县中、新元古界的成岩作用——源于矿物学的数据

本文运用系列黏土矿物学和碳酸盐结构占位的方法研究了蓟县中、新元古界剖面出露的碎屑岩和碳酸盐岩。这些方法包括了伊利石结晶度、绿泥石结晶度、黏土矿物组合、粒度分布、多型、有序度、Mg/Ca离子占位以及地质温压计。结果表明:伊利石结晶度Kübler指数范围为0.37°～1.37°Δ2θ,绿泥石结晶度árkai指数范围为0.31°～2.40°Δ2θ,以及1M_d的多型,一致指示本区处于晚期成岩作用影响范围,仅非常有限局部达到了初始变质的状态;黏土矿物组合主要是伊利石、伊蒙混层、绿蒙混层和高岭石;粒度分布范围为8～24 nm,其上界(23～24 nm)达到了NEWMOD计算的理论成岩带/近变质带界限,与结晶度数据一致,也表明了本区处于晚期成岩阶段。白云石有序度的数据表明,本区碳酸盐岩白云石的有序度值范围为0.19～0.99,可分为4个带:甚低级有序带、低级有序带、中级有序带、高级有序带。与川东石炭-二叠系碳酸盐岩相比,中低级有序带有一定的油气前景。本区由西向东,由甚低级有序带变化到高级有序带,白云石有序度升高。估计的成岩作用温度为183～200±20℃,压力为330 MPa,...     

SOM拓扑保序机理的模拟弹性力分析

针对SOM内在原理和基本特性中一些未解决的重要问题,定义了输出阵列上神经元i承受的、正比于模式向量及权向量之间距离的2种模拟弹性力：输入模式向量对胜者i的拉力,以及阵列中胜者j对邻近i的牵动力;分析了弹性力的9个性质,对SOM学习过程中神经元权向量的演变过程及拓扑映射保序的机理给出了易于理解的、形象的解释。     

一种结合整型最佳谱间预测与SPIHT的MODIS影像无损压缩算法

针对MODIS(Moderate Resolution Imaging Spectroradiometer)影像数据海量并具有重要研究价值的特点,研究MODIS影像的无损压缩算法。采用最佳线性预测方法,通过波段相关性排序确定波段最优预测顺序,并自适应计算"预测波段"与"当前波段"的二阶最佳预测器系数,减少谱间冗余;以多级树集合分裂树(Set Partitioning In Hierarchical Trees,SPIHT)编码算法降低谱内相关。为确保无损压缩,对线性预测系数进行最佳逼近取整操作,并采用基于提升格式的D5/3整数小波变换。实验结果表明本文提出的算法在压缩比上性能较3DSPIHT等算法突出。     

Direct physical evidence of dolomite recrystallization

The possibility of recrystallization is a long‐standing barrier to deciphering the genetic origin of dolomites. There is often uncertainty regarding whether or not characteristics of ancient dolomites are primary or the consequence of later recrystallization unrelated to the original dolomitization event. Results from 65 new high‐temperature dolomite synthesis experiments (1 m , 1·0 Mg/Ca ratio solutions at 218°C) demonstrate dolomite recrystallization affecting stoichiometry, cation ordering and nanometre‐scale surface texture. The data support a model of dolomitization that proceeds by a series of four unique phases of replacement and recrystallization, which occur by various dissolution–precipitation reactions. During the first phase (induction period), no dolomite forms despite favourable conditions. The second phase (replacement period) occurs when Ca‐rich dolomite products, with a low degree of cation ordering, rapidly replace calcite reactants. During the replacement period, dolomite stoichiometry and the degree of cation ordering remain constant, and all dolomite crystal surfaces are covered by nanometre‐scale growth mounds. The third phase (primary recrystallization period), which occurs in the experiments between 97% and 100% dolomite, is characterized by a reduced replacement rate but concurrent increases in dolomite stoichiometry and cation ordering. The end of the primary recrystallization period is marked by dolomite crystal growth surfaces that are covered by flat, laterally extensive layers. The fourth phase of the reaction (secondary recrystallization period) occurs when all calcite is consumed and is characterized by stoichiometric dolomite with layers as well as a continued increase in the degree of cation ordering with time. Inferences of recrystallization, in natural dolomite, based on cation order or stoichiometry of dolomite, usually depend on assumptions about the precursor dolomite subjected to recrystallization. If it is assumed that the experimental evidence presented here is applicable to natural, low‐temperature dolomites, then the presence of mounds is direct evidence of a lack of recrystallization and the presence of layers is direct evidence of recrystallization.     

Narrating the Natural History Unit: institutional orderings and spatial strategies

This paper develops a conceptualisation of institutional geographies through participation observation and interviews in the BBC’s Natural History Unit (NHU), and the approach of actor network theory. The methodological and theoretical tenets of actor network theory are examined for the insights they offer for understanding the achievements of this pre-eminent centre for the production of natural history films. The scope, scale and longevity of the NHU are analysed through the means by which localised institutional modes of ordering extend through space and over time. Drawing on empirical material, the paper outlines three different modes of ordering, which organise relations between actors in the film-making processes in different ways: prioritising different kinds of institutional arrangements, material resources and spatial strategies in the production of natural history films. Through these three modes of ordering, and through the topological insights of actor network theory, a series of overlapping and interlinked institutional geographies are revealed, through which the identity of the Unit as a centre of excellence for wildlife film-making is performed.     

三峡库区农业生态经济系统的预警分析

从系统与环境相统一的角度,研究了农业生态经济系统的模型、特征、预警分析的意义和内容;以三峡库区为例,从系统序化的观点,确定了这个系统的社会、经济、环境功能和状态的主要指标的警戒线;并与这些指标的现状、过去与未来趋势值进行对比;分别对现状预警、趋势预警和突变预警进行了评价;最后作了简易的对策探讨．     

一种基于向量序结构关系的多值形态变换

提出了一种向量型数据全序关系建立的一般方法,并以此为基础建立了多值形态变换的基本形式,并对其性质进行了讨论。多值形态变换作为数学形态学在多值图像空间中的扩展,具有与灰值形态变换类似的功能和作用,可有效地应用于多值图像的处理和目标形状特征的提取。     

贵州茂兰喀斯特森林植被演替序列的数量分析

综合运用双向指示种分析法( TWINSPAN)及除趋势对应分析法( DCA)进行分类及排序,确定了贵州茂兰国家级自然保护区森林群落的演替序列。结果表明: 根据DCA排序可将研究区植被群落的演替过程分为四个阶段,即草地→ 灌丛→乔林→顶极群落;根据TW IN SPAN分类结果可将植被分为11个群丛,其中,第Ⅰ 、Ⅱ 、Ⅲ 、Ⅳ 群丛为草本阶段,第Ⅴ 、Ⅵ 群丛为灌丛阶段,Ⅶ 、Ⅷ 、Ⅸ 群丛为乔林阶段,第Ⅹ 、Ⅺ群丛为顶极阶段。茂兰喀斯特植被演替顶极群落为亚热带常绿落叶阔叶林群落,是一种典型的地形— 土壤演替顶极,是植被与当地环境长期适应的结果。      

Synthetic MgGa2O4-Mg2GeO4 spinel solid solution and β-Mg3Ga2GeO8: chemistry, crystal structures, cation ordering, and comparison to Mg2GeO4 olivine

 Structural parameters and cation ordering are determined for four compositions in the synthetic MgGa₂O₄-Mg₂GeO₄ spinel solid solution (0, 8, 15 and 23 mol% Mg₂GeO₄; 1400 °C, 1 bar) and for spinelloid β-Mg₃Ga₂GeO₈ (1350 °C, 1 bar), by Rietveld refinement of room-temperature neutron diffraction data. Sample chemistry is determined by XRF and EPMA. Addition of Mg₂GeO₄ causes the cation distribution of the MgGa₂O₄ component to change from a disordered inverse distribution in end member MgGa₂O₄, ^[4]Ga = x = 0.88(3), through the random distribution, toward a normal cation distribution, x = 0.37(3), at 23 mol% Mg₂GeO₄. An increase in a_o with increasing Mg₂GeO₄ component is correlated with an increase in the amount of Mg on the tetrahedral site, through substitution of 2 Ga³⁺⇄ Mg²⁺+Ge⁴⁺. The spinel exhibits high configurational entropy, reaching 20.2 J mol⁻¹ (four oxygen basis) near the compositional upper limit of the solid solution. This stabilizes the spinel in spite of positive enthalpy of disordering over the solid solution, where ΔH _D  = αx + βx ², α = 22(3), β = −21(3) kJ mol⁻¹. This model for the cation distribution across the join suggests that the empirically determined limit of the spinel solid solution is correlated with the limit of tetrahedral ordering of Mg, after which local charge-balanced substitution is no longer maintained. Spinelloid β-Mg₃Ga₂GeO₈ has cation distribution ^M1[Mg_0.50(2)Ga_0.50(2)] ^M2[Mg_0.96(2)Ga_0.04(2)] ^M3[Mg_0.77(2) Ga_0.23(2)]₂ (Ge_0.5Ga_0.5)₂O₈ (tetrahedral site occupancies are assumed). Octahedral site size is correlated to Mg distribution, where site volume, site distortion, and Mg content follow the relation M1<M3<M2. The disordered cation distribution provides local electrical neutrality in the structure, and stabilization through increased configurational entropy (27.6 J mol⁻¹; eight oxygen basis). Comparison of the crystal structures of Mg_{1+ N} Ga_{2−2 N} Ge _N O₄ spinel, β-Mg₃Ga₂GeO₈, and Mg₂GeO₄ olivine reveals β-Mg₃Ga₂GeO₈ to be a true structural intermediate. Phase transitions across the pseudobinary are necessary to accommodate an increasing divergence of cation size and valence, with addition of Mg₂GeO₄ component. Octahedral volume increases while tetrahedral volume decreases from spinel to β-Mg₃Ga₂GeO₈ to olivine, with addition of Mg and Ge, respectively. Furthermore, M-M distances increase regularly across the join, suggesting that changes in topology reduce cation-cation repulsion. Received: 9 November 1998 / Revised, accepted: 3 August 1999