An enlarged and updated internally consistent thermodynamic dataset with uncertainties and correlations: the system K2O–Na2O–CaO–MgO–MnO–FeO–Fe2O3–Al2O3–TiO2–SiO2–C–H2–O2

We present, as a progress report, a revised and much enlarged version of the thermodynamic dataset given earlier (Holland & Powell, 1985). This new set includes data for 123 mineral and fluid end-members made consistent with over 200 P–T–X_CO2–f_O2 phase equilibrium experiments. Several improvements and advances have been made, in addition to the increased coverage of mineral phases: the data are now presented in three groups ranked according to reliability; a large number of iron-bearing phases has been included through experimental and, in some cases, natural Fe:Mg partitioning data; H₂O and CO₂ contents of cordierites are accounted for with the solution model of Kurepin (1985); simple Landau theory is used to model lambda anomalies in heat capacity and the Al/Si order–disorder behaviour in some silicates, and Tschermak-substituted end-members have been derived for iron and magnesium end-members of chlorite, talc, muscovite, biotite, pyroxene and amphibole. For the subset of data which overlap those of Berman (1988), it is encouraging to find both (1) very substantial agreement between the two sets of thermodynamic data and (2) that the two sets reproduce the phase equilibrium experimental brackets to a very similar degree of accuracy. The main differences in the two datasets involve size (123 as compared to 67 end-members), the methods used in data reduction (least squares as compared to linear programming), and the provision for estimation of uncertainties with this dataset. For calculations on mineral assemblages in rocks, we aim to maximize the information available from the dataset, by combining the equilibria from all the reactions which can be written between the end-members in the minerals. For phase diagram calculations, we calculate the compositions of complex solid solutions (together with P and T) involved in invariant, univariant and divariant assemblages. Moreover we strongly believe in attempting to assess the probable uncertainties in calculated equilibria and hence provide a framework for performing simple error propagation in all calculations in thermocalc, the computer program we offer for an effective use of the dataset and the calculation methods we advocate.     

The journal Communications in Numerical Methods in Engineering with Biomedical Applications becomes the International Journal for Numerical Methods in Biomedical Engineering (IJNMBE) from 1st January 2010

Communications in Numerical Methods in Engineering, founded by Roland W. Lewis in 1985, will change its title to the ‘International Journal for Numerical Methods in Biomedical Engineering’ and has a revised Aims and Scope. Copyright © 2009 John Wiley & Sons, Ltd.     

迭代法计算H2O-CO2-NaCl包裹体均一压力的改进及其应用

文章在宋玉财等于2007年提出的利用迭代法计算流体包裹体成分及均一压力的基础上,结合Duan等通过热力学模拟研究所获得的最新的热力学方程及H2O-CO2-NaCl包裹体pVtx计算程序,对宋玉财等所提出的H2O-CO2-NaCl包裹体成分及均一压力的迭代计算法提出了改进意见,同时对其进行了适当的修改。文章利用中-低温条件下求解CO2在盐水中的溶解度及摩尔体积的方程,提高了原方法的计算精度,并将原方法的适用范围（均一温度≥300 ℃）扩展到中_低温（0～260 ℃）、中_低压力（0～1 000×105Pa）以及中等盐度的范围。本方法适用于求解CO2部分均一温度高于笼形物融化温度、不含石盐子矿物且完全均一到水溶液相的H2O-CO2-NaCl包裹体。     

基于全基因组重测序技术的浙江近岸海域耐盐金黄色葡萄球菌(Staphylococcus aureus)耐药机制解析<

金黄色葡萄球菌(Staphylococcus aureus)是近岸海域海水中的主要病原菌,严重威胁接触者的安全。抗生素处理是治疗金黄色葡萄球菌感染的重要手段,其耐药性的发生受到了高度重视。采用全基因组重测序与KEGG富集分析结合的方法,对红霉素(erythromycin)、氯霉素(chloramphenicol)和万古霉素(vancomycin)处理后的耐盐金黄色葡萄球菌(S.aureus ZS01)和不耐盐金黄色葡萄球菌(S.aureus 502A)进行耐药机制研究。结果表明,S.aureus 502A经抗生素处理后发生突变的程度大于S.aureus ZS01,二者在经过氯霉素处理发生了更大程度的突变。红霉素、氯霉素和万古霉素处理主要影响了金黄色葡萄球菌的致病能力;红霉素和氯霉素可能通过影响金黄色葡萄球菌脂类的代谢引起其耐药性的变化。除此之外,三种抗生素处理均出现了较多TIGR01741家族蛋白和假设蛋白基因的突变,推测与菌株的耐药性和致病性相关。耐盐金黄色葡萄球菌可通过外排系统作用产生红霉素耐药性,不耐盐菌株因细胞壁成分相关基因的突变提高了对万古霉素的耐受性。研究结果可为耐盐和不耐盐金黄色葡萄球菌的耐药机制及抗生素对金黄色葡萄球菌致病性影响的研究提供基础数据。     

大口黑鲈(Micropterus salmoides)致病性维氏气单胞菌的分离鉴定及其特性分析

大口黑鲈(Micropterus salmoides)是我国重要的淡水养殖经济鱼类品种,目前包括细菌性疾病在内的诸多因素影响了其养殖业的健康发展。维氏气单胞菌是引起淡水鱼败血症和溃疡综合征的重要病原菌。从患病大口黑鲈肝脏组织中分离到1株病原菌,通过形态学观察、生理生化特性分析、16S rRNA序列和特定毒力基因分析对其进行鉴定,并通过人工回归感染试验和药敏试验分析其致病性和耐药性。结果表明该菌为致病性维氏气单胞菌(Aeromonas veronii),含有aer、act、lip、fla、gcaT和OMPA I等毒力基因;药敏试验显示其对头孢曲松、氯霉素、氟苯尼考、强力霉素、四环素、多粘菌素、复方新诺明、左氟沙星等8种抗生素高度敏感,对新霉素、恩诺沙星、庆大霉素、链霉素、阿齐霉素、环丙沙星等6种抗生素中度敏感,对其他8种抗生素具有一定耐药性;人工回归感染实验表明该菌具有较高的致病性,对大口黑鲈的半致死浓度为1.4×10⁶ CFU/mL。维氏气单胞菌是水产养殖中的条件性致病菌,研究结果揭示了该菌株的部分生物学特性,有利于丰富维氏气单胞菌属的基础数据,同时也为鲈鱼养殖过程中的病害防控提供了一定的参考依据。     

“雷霆扫毒”对贩卖毒品犯罪的影响及后续时空分布变化——以ZG市主城区为例

贩卖毒品是实现毒品犯罪经济利益的重要环节,是危害最为严重的毒品犯罪类型之一。现有研究主要关注毒品犯罪与建成环境之间的关系,没有顾及打击后贩卖毒品犯罪空间转移现象以及影响因素的变化。本文基于日常活动理论、犯罪模式理论和社会解组理论,以中国ZG市主城区为例,融合多源时空数据,分别对2013年8月开始的“雷霆扫毒”前后的贩卖毒品犯罪构建负二项回归模型,分析微观尺度下半公共空间、室外公共空间和室内私人空间对贩卖毒品犯罪影响的变化。研究发现“雷霆扫毒”行动后：① 贩卖毒品犯罪案件数量显著下降;② 半公共空间对贩卖毒品犯罪的影响作用减弱;③ 室外公共空间对贩卖毒品犯罪影响作用增强,室内私人空间对贩卖毒品犯罪的影响上升。结果表明：“雷霆扫毒”专项行动开展后一年,贩卖毒品犯罪的“主阵地”发生变化,由城市半公共空间逐渐向室外公共空间和室内私人空间转移。特别的是,“雷霆扫毒”对大毒枭及贩毒团伙的打击成效突出,促使2014年贩毒案件大幅度下降,实现了专项行动开展的目的。后续一系列专项行动进一步提升了对贩卖毒品犯罪的发现和查处能力,显示出专项行动对打击隐性犯罪的明显效果。研究表明公安执法部门必须对毒品贩卖犯罪进行持续的、有针对性的打击,对发生地的变动进行定期的监控,不能一蹴而就。     

基于数字地形的三维道路快速建模与应用

介绍一种在高精度三维地形模型的基础上,通过导入道路规划设计快速生成三维道路模型,并进行土石方量计算等量化分析的方法。基于三维道路模型,可以开展各类可视化分析和规划管理工作,为非专业人士理解规划设计意图提供了直观的方式。最后,以典型示范应用为例,说明研究成果可应用的领域和效果。     

基于GeoDa的爱丁堡市犯罪行为与位置关系分析

近年来,犯罪和暴力问题已经成为人们重点关注的社会热点问题,其严重影响社会和谐以及人民日常生活质量.暴力犯罪行为可能由于多种原因引起,其中之一就是就业情况.公众普遍认为,高失业率将引发高犯罪率,因此检测就业情况与犯罪行为之间的关系就显得尤为重要.本文将主要针对不同类型犯罪行为以及总犯罪率与失业率之间的关系进行分析,以便分析其中的关系和联系.在GeoDa软件的帮助下,可以形成一系列图表来帮助得到需要的结果.暴力犯罪、毒品犯罪和入室犯罪将作为典型犯罪类型进行单独分析.从1980年开始,苏格兰政府开始进行了一系列的统计,其主要目的是检测苏格兰地区的所有基本参数以便为苏格兰研究机构提供帮助.本文基于苏格兰政府SIMD统计参数,并主要针对爱丁堡这一苏格兰政治经济中心同时也是苏格兰首府进行分析.     

Peierls dislocation modelling in perovskite (CaTiO<Subscript>3</Subscript>): comparison with tausonite (SrTiO<Subscript>3</Subscript>) and MgSiO<Subscript>3</Subscript> perovskite

We present here a numerical modelling study of dislocations in perovskite CaTiO₃. The dislocation core structures and properties are calculated through the Peierls–Nabarro model using the generalized stacking fault (GSF) results as a starting model. The GSF are determined from first-principles calculations using the VASP code. The dislocation properties such as collinear, planar core spreading and Peierls stresses are determined for the following slip systems: [100](010), [100](001), [010](100), [010](001), [001](100), [001](010), and All dislocations exhibit lattice friction, but glide appears to be easier for [100](010) and [010](100). [001](010) and [001](100) exhibit collinear dissociation. Comparing Peierls stresses among tausonite (SrTiO₃), perovskite (CaTiO₃) and MgSiO₃ perovskite demonstrates the strong influence of orthorhombic distortions on lattice friction. However, and despite some quantitative differences, CaTiO₃ appears to be a satisfactory analogue material for MgSiO₃ perovskite as far as dislocation glide is concerned.