High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study

The temperature induced structural evolution and thermoelastic behaviour of a natural (Pbca) orthopyroxene (Opx), with chemical formula ^M2(Mg_0.856Ca_0.025Fe²⁺ _0.119) ^M1(Mg_0.957Fe²⁺ _0.011Fe³⁺ _0.016Cr_0.011Al_0.005)Al_0.032Si_1.968O₆, from a suite of high pressure ultramafic nodules of mantle origin, have been investigated by in-situ neutron powder diffraction at several temperatures starting from 1,200°C down to 150°C. Unit-cell parameter variations as a function of T show no phase transition within this temperature range. The volume thermal expansion coefficient, α = V ⁻¹(∂V/∂T) _P0, varies linearly with T. The axial thermal expansion coefficients, α_j = l _j⁻¹(∂l _j/∂T)_P0, increase non-linearly with T. The principal Lagrangian unit-strain coefficients (ɛ//a, ɛ//b, ɛ//c), increase continuously with T. However, the orientation of the unit-strain ellipsoid appears to change with T. With decreasing T, the values of the unit-strain coefficients along the b and c axes tend to converge. The orientation at ΔT = 1,080°C is maintained down to the lowest temperature (150°C). The two non-equivalent tetrahedral chains, TA _n OA_3n and TB _n OB_3n , are kinked differently. At room-T, the TB _n OB_3n chain is more strongly kinked by about 23° than the TA _n OA_3n chain. With increasing T, the difference decreases by 3° for the TB _n OB_3n chain. The intersite cation exchange reaction between M1 and M2 (Mg²⁺ and Fe²⁺) shows a slight residual order at 1,200°C followed by reordering with decreasing temperature although seemingly not with a definite progressive trend. At the lowest temperature reached (150°C), reordering has occurred with the same value of partitioning coefficient K _D as that before heating. The absence of the expected phase transition is most likely due to the presence of minor amounts of Fe³⁺, Al, Ca and Cr which must play a crucial role on the thermoelastic behaviour and phase stability fields in natural Opx, with consequent important petrologic and geological implications.     

长三角地区GNSS大气水汽转换系数模型精化研究

根据长三角地区7个探空站基于积分法计算的2016年大气水汽转换系数（K值）,利用多元线性拟合分别构建不顾及高程的Emardson-I精化模型和顾及高程的Emardson-H精化模型,并用2017年的K值验证两种模型的精度。实验结果表明,Emardson-H预报模型的MAE和RMS分别为0.001 297和0.001 616,略优于Emardson-I预报模型的0.001 303和0.001 620;基于两种新模型的GNSS-PWV反演精度相当,其MAE和RMS均优于0.6 mm。因此,Emardson-I模型以其无需实测气象参数和无需顾及高程在长三角地区的地基GNSS气象学实时应用中具有更好的效率优势。     

成都市精细化数值模式研究及试验

本文在引入成都市精细化下垫面资料后将G rapes与城市冠层方案相耦合,并在此基础上进行数值试验。初步试验结果表明:该耦合模式能基本表现城市冠层的特征的作用,即能够较好地模拟出城市热岛效应。城市冠层参数化方案及精细化下垫面资料的引入能够影响陆气之间的相互作用,改变大气的能量平衡,致使向上长波辐射增强,感热通量增加,潜热通量减少。城市化效应白天对边界层大气的增温作用还会影响低层大气的层结结构,使之在午后产生弱的上升运动。     

WebGIS技术在气象网格产品精细化服务中的应用

数值模式已经成为天气预报业务发展的主要方向,数值模式计算产生各种气象网格产品。气象网格产品具有数据量大、更新频次快、专业性强等特点,需要借助专业工具软件进行处理,不能很好满足企业和社会用户使用的需求,应用范围受到极大的限制。面对气象网格产品专业化与气象数据应用需求简单化之间的矛盾,文章提出针对气象网格产品,尤其是实况网格产品和预报网格产品,采用互联网服务手段,通过对网格数据离散化处理的方法,空间化管理的方式,将WebGIS技术应用到气象网格产品服务中。用户在客户端只需要进行简单文字检索或者GIS图形检索,系统便可以实现对气象网格产品中的有效数据进行精细化抽取,最终实现服务精细。文中提出的数据处理方法,对不同行业间气象网格产品的应用起到指导作用。     

Behaviour of Fe-oxides relevant to contaminant uptake in the environment

The behaviour of Fe-oxides was investigated during precipitation and co-precipitation, phase transformation and dissolution, while their ability to adsorb and incorporate trace components was examined. Some samples were synthesised and studied under controlled laboratory conditions and other samples were taken from experiments designed to test the effectiveness of waste treatment strategies using iron. Surface-sensitive and high-resolution techniques were used to complement information gathered from classical, macroscopic methods.

Adsorption isotherms for Ni²⁺ uptake on synthetic ferrihydrite (Fe₅HO₈·4H₂O, often written simply Fe(OH)₃), goethite (-FeOOH), hematite (-Fe₂O₃) and magnetite (Fe₃O₄) were all similar, increasing as expected at higher pH. Desorption behaviour was also similar, but one third or more of the Ni²⁺ failed to return to solution. In the past, “irreversible sorption” has been blamed on uptake into micro-fractures or pores, but during examination (using Atomic force microscopy, AFM) of hundreds of Fe-oxide particles, no evidence for such features could be found, leading to the conclusion that Ni²⁺ must become incorporated onto or into the solids. When solutions of Fe(II) are oxidised in controlled laboratory conditions or during treatment of ash from municipal waste incinerators, two-line ferrihydrite forms rapidly and on never-dried samples, AFM shows abundant individual particles with diameter ranging from 0.5 to several tens of nanometers. Aging in solution at 70°C promotes growth of the particles into hematite and goethite and their identification (by X-ray powder diffraction, XRPD, with Rietveld refinement) becomes possible at the same aging stage as mineral morphology becomes recognisable by AFM. In other experiments that were designed to mimic natural attack by organic acids, colloidal lepidocrocite (γ-FeOOH) was observed in situ by AFM, while reductive dissolution removed material on specific crystal faces. Lath ends are eroded fastest while basal planes are more stable.

In order to help elucidate mechanisms of contaminant immobilisation by Fe-oxides, we examined samples from a reactive barrier made with 90% quartz sand, 5% bentonite and 5% zero-valent iron filings that had reacted with a solution typical of leachate from coal-burning fly ash using time-of-flight secondary ion mass spectroscopy (TOF-SIMS). Fe(0) oxidised to Fe(III), while soluble and toxic Cr(VI) was reduced to insoluble Cr(III). Chemical maps show Fe-oxide coatings on bentonite; Cr is associated with Fe-oxides to some extent but its association with Ca in a previously undescribed phase is much stronger. Other samples taken from municipal waste incinerator ash that had been treated by aeration in Fe(II) solutions were examined with transmission electron microscopy (TEM), selected area electron diffraction (SAED) and energy dispersive X-ray spectroscopy (EDS). Pb and some Zn are seen to be dispersed throughout two-line ferrihydrite aggregates, whereas Sn and some Zn are incorporated simply as a result of entrainment of individual ZnSn-oxide crystallites.

Geochemical speciation models that fail to account for contaminant uptake in solid solutions within major phases or as thin coatings or entrained crystals of uncommon phases such as those described here risk to underestimate contaminant retardation or immobilisation.     

基于多源海事数据的大型船舶精细化分段乘潮研究

针对大型船舶长航道乘潮进港窗口期时长不充足问题,本文提出了基于船舶自动识别系统（Automatic Identification System,AIS）数据、港口潮汐数据、官方电子海图数据和航道地理位置数据等多源海事数据的大型船舶长航道精细化分段乘潮模型。首先,基于AIS数据采用K中心点算法对大型船舶乘潮航行行为特征进行挖掘,识别出大型船舶乘潮航迹关键点,计算大型船舶乘潮航行行为变化关键船位点。接着,结合长航道地理环境特征和大型船舶航行行为特征对长航道进行精细化分段,在此基础上基于港口潮汐数据构建大型船舶精细化分段乘潮窗口期计算模型。其次,设计乘潮历时自适应排列算法求解大型船舶乘潮最长窗口期;然后,以黄骅港综合港区航道为例验证了本文所提出的精细化分段乘潮模型。最后,基于电子海图数据利用地理信息系统平台实现大型船舶精细化分段乘潮三维动态推演,进一步验证大型船舶精细化分段乘潮航行的安全性。结果表明,该模型能够有效增加大型船舶乘潮进港窗口期时长,提高大型船舶乘潮进港效率,可为港航管理部门制定大型船舶进港计划提供理论指导。     

鄂尔多斯盆地华池-庆阳地区延长组长62-63沉积微相研究

为了更精准地研究鄂尔多斯盆地西南部华庆地区上三叠统延长组长6₂-6₃油层组储层特征,运用岩心照片、测井数据、粒度分析、录井数据等资料,对延长组长6₂-6₃油层组的岩性、碎屑颗粒、构造、测井响应、生物标志以及接触关系进行了分析研究。分析了长6油层组沉积微相特征,识别出该沉积时期半深湖-深湖亚相和三角洲前缘亚相两类沉积亚相,半深湖泥、浊积岩、砂质碎屑流砂体、水下分流河道、分流间湾和席状砂6类沉积微相,并分析华庆地区延长组长6₂-6₃期沉积相发育演化过程。沉积微相精细化描述揭示了华庆地区延长组6段油层组沉积环境,为精细化勘探开发提供地质依据。