铸态MgYNi合金的储氢性能（英文）

采用真空悬浮熔炼炉制备了Mg79YNi20和Mg77Y3Ni20两种镁基合金,系统研究了Y含量对合金结构和储氢性能的影响.结果表明,Y含量的增加显著改善了合金的吸放氢动力学,尤其是快速吸氢性能。随Y含量的增大,合金的放氢温度从567K降低到485K.将等温下吸氢量随压力变化(PCI)的数据带入Van’t hoff方程,计算得出的焓变和熵变显示,Y替代量加量的增加有效降低了合金的热力学稳定性.     

机械合金化Mg2Ni储氢材料的吸氢动力学实验研究

为了研究压力和温度对Mg2Ni储氢合金动力学性能的影响以及吸氢反应机理,采用机械合金化的方法制备了Mg2Ni储氢合金。利用P-C-T测试仪进行活化并测试其吸氢动力学特性,并在实验的基础上结合3种常用的动力学模型分析了Mg2Ni合金吸氢反应的控速步骤。结果表明:Mg2Ni合金在673K、7.4MPa条件下活化3次就能够基本活化完全,吸收1mol氢气所需活化能为43.47kJ;温度对其动力学性能影响不明显,相反压力的影响比较大,吸氢反应速率和吸氢量都随压力的升高而增加;实验结果与JDM和JMA动力学模型比较吻合;金属氢化物形核长大与氢原子在产物层中的扩散过程是Mg2Ni合金吸氢反应的混合控速步骤。     

LaNi4.25Al0.75储氢合金的改性

为了提高LaNi4．25Al0．75合金的储氢性能,采用退火、表面镀铜和表面包覆SiO2对合金进行改性,并对处理前、后合金的微观结构和吸放氢性能的变化进行研究。研究结果表明,退火消除了LaNi4．25Al0．75合金中的偏析,减少了内应力,使合金具有平坦的吸氢平台;表面镀铜处理加快了合金的吸、放氢速度,但吸氢含量略有降低,另外,镀铜合金抗粉化性能加强,经10次吸、放氢循环后没有出现粉化现象;表面包覆SiO2前、后,合金的吸氢量变化不大,抗粉化性能加强,经10次吸、放氢循环后没有出现粉化现象。     

快淬Mg2Ni型合金的结构及贮氢动力学

用快淬技术制备Mg2-xLaxNi(x=0,0.2,0.4,0.6)贮氢合金,用XRD,SEM和HRTEM分析合金的微观组织结构;测试合金的气态及电化学贮氢动力学。结果表明:快淬二元Mg2Ni合金具有典型的纳米晶结构,而快淬La替代合金明显地具有非晶结构,La替代Mg提高Mg2Ni型合金的非晶形成能力。La替代Mg明显地改变Mg2Ni型合金的相组成,当x=0.4时,合金的主相改变为(La,Mg)Ni3+LaMg3。快淬及La替代明显影响合金的气态及电化学贮氢动力学,La替代使合金的吸氢动力学先降低后增加,但使合金的气态脱氢及电化学贮氢动力学先增加后降低。快淬对合金气态及电化学贮氢动力学的影响与合金的成分相关,对于La0.4合金,合金的气态吸氢动力学随淬速的增加先增加后减小,其放氢动力学随淬速的增加而增加。     

Mo部分替代Ti对V_(40)Ti_(50)Fe_(10)合金储氢性能的影响

为了考察Mo部分替代Ti对高容量V_(40)Ti_(50)Fe_(10)合金储氢性能的影响,采用电弧熔炼制备了V_(40)Ti_(50-x)Mo_xFe_(10)(x=0～30)合金,系统地研究了该系列合金的结构和储氢性能随Mo替代Ti含量的变化规律,并探讨合金储氢容量的衰退机制。研究表明:该系列合金均由主相体心立方(BCC)固溶体和少量的C14型Laves第2相组成;Mo取代Ti并未改变合金的主相结构,但Laves第2相的含量明显降低,合金整体均匀性增加;随着Mo含量的增加,BCC相的晶胞体积逐渐减小,合金的放氢量总体呈现下降趋势但中间出现波动状态,而放氢平台压则持续上升;在这一系列合金中,V_(40)Ti_(40)Mo_(10)Fe_(10)合金的储氢性能较优,具有相对宽泛且平坦的放氢压力平台,可逆储氢量较高,且室温下吸放氢过程均可在5 min内完成。循环测试表明,合金氢化物在吸放氢过程中会形成难以活化的TiFe相,导致合金出现成分分离,影响合金的稳定性,从而造成储氢容量衰退。     

难熔元素合金化NiAl合金的第一性原理计算

基于密度泛函理论,研究了合金元素Zr、Hf、Nb、Ta对NiAl合金的电子结构、力学性能和热学性能的影响,分析了合金相的晶胞参数、态密度、韧脆性以及焓、自由能、熵、德拜温度和热容。研究表明:Zr、Hf、Nb和Ta在晶胞结构中都倾向于取代Al位点,合金化后晶胞的晶格参数和晶胞体积均增加到不同程度。态密度图显示0～20 eV能量范围内,态密度分布均较为平均,没有局域的态密度(density of states, DOS)尖峰,-10～0 eV能量区间内态密度均出现最强峰。由柯西压力值判断,Zr、Hf、Nb、Ta的加入均使柯西压力值增大,且合金相模量比(ratio of shear modulus to bulk modulus,G/B)的值均小于0.57,合金相表现出相对韧性。在0～1 700 K温度范围内,合金相的焓、熵均随温度的升高而增大,当温度高于400 K时,合金相的德拜温度均趋于420 K;随着温度的升高,合金相的热容值均趋近于杜隆-珀蒂极限值,表明合金化后结构体现出良好的热力学性能。     

氢爆碎工艺中的吸氢和放氢现象

研究了氢爆碎 (hydrogen decrepitation,HD)过程中不同合金及合金表面状态的吸氢速率和吸氢量 ,并采用 X射线衍射、扫描电镜等手段研究 HD粉加热去氢过程中放氢规律和粉体微观形貌的变化。结果表明氢爆碎的吸氢速度和吸氢量与钕铁硼合金铸锭表面的活性有关 ,表面新鲜、活性大的合金铸锭氢爆碎的时间短、效率高。合金中存在足够的富 Nd相 ,是室温氢爆碎过程得以进行的前提条件。将 HD粉加热处理时 ,随加热温度的升高 ,氢不断释放出来 ,到10 73K时磁粉中氢的质量分数已降低到 1.5× 10 - 5,氢气基本释放。生产中可以将 HD粉经 5 2 3～ 72 3K加热放氢 1h后再进行磁场成型 ,以减少氢气对 HD粉体成型取向度的影响     

放电等离子烧结制备Mg2-xNdxNi（x=0～0.3）储氢合金

采用放电等离子烧结(SPS)工艺制备了Mg2-xNdxNi(x=0,0.1,0.2,0.3)储氢合金.通过X射线衍射(XRD)和扫描电镜(SEM)研究了合金的相结构和表面形貌,利用等容压差法分析测试了合金的压力--组成--温度(PCT)曲线和吸放氢动力学性能,研究了烧结温度、稀土元素Nd对储氢合金微观组织结构和储氢性能的影响,比较了SPS技术与真空感应熔炼法制备的Mg基合金组织结构和储氢性能的异同.结果表明:SPS制备的Mg2-xNdxNi(x=0～0.3)系列储氢合金具有多相结构,储氢合金的吸放氢动力学性能良好;Nd元素有利于Mg合金化,不利于储氢量;烧结温度对储氢量、PCT曲线平台性能有明显影响;当Mg2-xNdxNi系合金中含有Mg和NdMg12相,PCT曲线出现双平台现象;与铸态合金相比,SPS制备的Mg1.7Nd0.3Ni储氢合金的吸放氢动力学性能较好,但储氢容量、放氢率和PCT曲线平台性能更差.     

替代元素对ZrMn2合金及其氢化物电子结构的影晌

采用基于密度泛函的赝势平面波方法,计算Zr4Mn6M2(M=Al,Co,Fe,Mn,V)及其氢化物的电子结构,并分析了成键特性。结果表明,Zr4Mn6M2(M=Al,Co,Fe,Mn,V)中晶胞参数值(a、c值),及其相应氢化物的稳定性都随替代元素M的3d轨道电荷占据数的增加而减小。加Co后Zr4Mn6Co2H12中H分别与Co,Mn的相互作用增强,成键更加稳定,可延长合金的循环寿命,并使平台氢压更趋平坦。加V可使合金氢化物中Mn(2)-H间相互作用减弱,因而加V可以减小吸放氢滞后效应,并有效降低平台氢压。     

稀土Ce对无Co过计量比CaCu_5型合金贮氢和电化学性能的影响

采用单辊甩带快速凝固方法制备过化学计量比稀土贮氢合金La1-xCexNi4.17Mn0.93Al0.1Fe0.4(AB5.6型,x=0~0.5),研究Ce元素部分替代La后对合金微观结构、储氢及电化学性能的影响.XRD分析及储氢性能测试结果表明,快淬过化学计量比合金的相组织均为过饱和CaCu5型结构单相,合金晶胞体积与Ce质量分数基本呈线性关系,其中合金的储氢量随Ce质量分数的增加而减小,而吸放氢平台压力增高.电化学测试和分析结果表明,随Ce质量分数的增加,合金电极的活化性能和放电容量有所降低,但电极循环寿命得到明显提高.当x=0、0.5时,合金电极的最大放电容量为328.9、305.4 mAh/g;当x≥0.3时,经100次循环后,合金电极容量保持率S100由x=0时的80%提高至93%~96%;合金电极的高倍率放电性能(HRD)随Ce质量分数的增加呈先减小后增加的趋势.     

Characterization of Ordovician carbonate reservoirs, southeastern Saskatchewan, Canada

The discovery of the prolific Ordovician Red River reservoirs in 1995 in southeastern Saskatchewan was the catalyst for extensive exploration activity which resulted in the discovery of more than 15 new Red River pools. The best yields of Red River production to date have been from dolomite reservoirs. Understanding the processes of dolomitization is, therefore, crucial for the prediction of the connectivity, spatial distribution and heterogeneity of dolomite reservoirs.The Red River reservoirs in the Midale area consist of 3～4 thin dolomitized zones, with a total thickness of about 20 m, which occur at the top of the Yeoman Formation. Two types of replacement dolomite were recognized in the Red River reservoir: dolomitized burrow infills and dolomitized host matrix. The spatial distribution of dolomite suggests that burrowing organisms played an important role in facilitating the fluid flow in the backfilled sediments. This resulted in penecontemporaneous dolomitization of burrow infills by normal seawater. The dolomite in the host matrix is interpreted as having occurred at shallow burial by evaporitic seawater during precipitation of Lake Almar anhydrite that immediately overlies the Yeoman Formation. However, the low δ18O values of dolomited burrow infills (-5.9‰～ -7.8‰, PDB) and matrix dolomites (-6.6‰～ -8.1‰, avg. -7.4‰ PDB) compared to the estimated values for the late Ordovician marine dolomite could be attributed to modification and alteration of dolomite at higher temperatures during deeper burial, which could also be responsible for its 87Sr/86Sr ratios (0.7084～0.7088) that are higher than suggested for the late Ordovician seawaters (0.7078～0.7080). The trace amounts of saddle dolomite cement in the Red River carbonates are probably related to "cannibalization" of earlier replacement dolomite during the chemical compaction.     

A computer generator for randomly layered structures

AcomputergeneratorforrandomlylayeredstructuresYUJia shun1,2,HEZhen hua2(1.TheInstituteofGeologicalandNuclearSciences,NewZealand;2.StateKeyLaboratoryofOilandGasReservoirGeologyandExploitation,ChengduUniversityofTechnology,China)Abstract:Analgorithmisintrod…     

海南岛地体及其毗邻陆缘晚中生代—新生代古地磁研究和构造演化

本文叙述了对海南岛及其毗邻大陆边缘白垩纪到第四纪地层岩石进行古地磁研究的全部工作过程。通过分析岩石中剩余磁矢量的磁偏角及磁倾角的变化,提出海南岛白垩纪以来经历的构造演化模式如下:早期伴随顺时针旋转而向南迁移,后期伴随逆时针转动并向北运移。联系该地区及邻区的地质、地球物理资料,对海南岛上述的构造地体运动提出以下认识:北部湾内早期有一拉张作用,主要是该作用使湾内地壳显著伸长减薄,形成北部湾盆地。从而导致了海南岛的早期构造运动,而海南岛后期的构造运动则主要是受南海海底扩张的影响。海南地体运动规律的阐明对于了解北部湾油气盆地的形成演化有重要的理论和实际意义。     

Exciton Seebeck in Molecular Systems

Various applications relevant to the exciton dynamics,such as the organic solar cell,the large-area organic light-emitting diodes and the thermoelectricity,are operating under temperature gradient.The potential abnormal behavior of the exicton dynamics driven by the temperature difference may affect the efficiency and performance of the corresponding devices.In the above situations,the exciton dynamics under temperature difference is mixed with     

Achieving Unusual States of Matter Under High Pressure

The elongation method,originally proposed by Imamura was further developed for many years in our group.As a method towards O(N)with high efficiency and high accuracy for any dimensional systems.This treatment designed for one-dimensional(ID)polymers is now available for three-dimensional(3D)systems,but geometry optimization is now possible only for 1D-systems.As an approach toward post-Hartree-Fock,it was also extended to     

《Chinese Science Bulletin》SUBJECT INDEX TO VOLUME 59(2014)

正~~     

An on-line scaling method for improving scalability of a database cluster

The explosive growth of the Internet and database applications has driven database to be more scalable and available, and able to support on-line scaling without interrupting service. To support more client's queries without downtime and degrading the response time, more nodes have to be scaled up while the database is running. This paper presents the overview of scalable and available database that satisfies the above characteristics. And we propose a novel on-line scaling method. Our method improves the existing on-line scaling method for fast response time and higher throughputs. Our proposed method reduces unnecessary network use, i.e. , we decrease the number of data copy by reusing the backup data. Also, our on-line scaling operation can be processed parallel by selecting adequate nodes as new node. Our performance study shows that our method results in significant reduction in data copy time.     

An improved R-tree based on childnode''s probability

R-Tree is a good structure for spatial searching. But in this indexing structure,either the sequence of nodes in the same level or sequence of traveling these nodes when queries are made is random. Since the possibility that the object appears in different MBR which have the same parents node is different, if we make the subnode who has the most possibility be traveled first, the time cost will be decreased in most of the cases. In some case, the possibility of a point belong to a rectangle will shows direct proportion with the size of the rectangle. But this conclusion is based on an assumption that the objects are symmetrically distributing in the area and this assumption is not always coming into existence. Now we found a more direct parameter to scale the possibility and made a little change on the structure of R-tree, to increase the possibility of founding the satisfying answer in the front sub trees. We names this structure probability based arranged R-tree (PBAR-tree).     

An Index mechanism for multi-scale view in spatial databases

There are numerous geometric objects stored in the spatial databases. An importance function in a spatial database is that users can browse the geometric objects as a map efficiently. Thus the spatial database should display the geometric objects users concern about swiftly onto the display window. This process includes two operations:retrieve data from database and then draw them onto screen. Accordingly, to improve the efficiency, we should try to reduce time of both retrieving object and displaying them. The former can be achieved with the aid of spatial index such as R-tree, the latter require to simplify the objects. Simplification means that objects are shown with sufficient but not with unnecessary detail which depend on the scale of browse. So the major problem is how to retrieve data at different detail level efficiently. This paper introduces the implementation of a multi-scale index in the spatial database SISP (Spatial Information Shared Platform) which is generalized from R-tree. The difference between the generalization and the R-tree lies on two facets: One is that every node and geometric object in the generalization is assigned with a importance value which denote the importance of them, and every vertex in the objects are assigned with a importance value,too. The importance value can be use to decide which data should be retrieve from disk in a query. The other difference is that geometric objects in the generalization are divided into one or more sub-blocks, and vertexes are total ordered by their importance value. With the help of the generalized R-tree, one can easily retrieve data at different detail levels.Some experiments are performed on real-life data to evaluate the performance of solutions that separately use normal spatial index and multi-scale spatial index. The results show that the solution using multi-scale index in SISP is satisfying.     

Integrating GIS Web services based on mediating architecture

The geographic information service is enabled by the advancements in general Web service technology and the focused efforts of the OGC in defining XML-based Web GIS service. Based on these models, this paper addresses the issue of services chaining,the process of combining or pipelining results from several interoperable GIS Web Services to create a customized solution. This paper presents a mediated chaining architecture in which a specific service takes responsibility for performing the process that describes a service chain. We designed the Spatial Information Process Language (SIPL) for dynamic modeling and describing the service chain, also a prototype of the Spatial Information Process Execution Engine (SIPEE) is implemented for executing processes written in SIPL. Discussion of measures to improve the functionality and performance of such system will be included.