Accommodation of large plastic strains and defect accumulation in nanocrystalline Ni grains

A transmission electron microscopy (TEM) study has been carried out to uncover how dislocations and twins accommodate large plastic strains and accumulate in very small nanocrystalline Ni grains during low-temperature deformation. We illustrate dislocation patterns that suggest preferential deformation and nonuniform defect storage inside the nanocrystalline grain. Dislocations are present in individual and dipole configurations. Most dislocations are of the 60 degrees type and pile up on (111) slip planes. Various deformation responses, in the forms of dislocations and twinning, may simultaneously occur inside a nanocrystalline grain. Evidence for twin boundary migration has been obtained. The rearrangement and organization of dislocations, sometimes interacting with the twins, lead to the formation of subgrain boundaries, subdividing the nanograin into mosaic domain structures. The observation of strain (deformation)-induced refinement contrasts with the recently reported stress-assisted grain growth in nanocrystalline metals and has implications for understanding the stability and deformation behavior of these highly nonequilibrium materials.

高能气动喷丸致纯铜细晶化的实验与模拟

高能气动喷丸是通过剧烈塑性变形产生细晶材料的方法之一.用纯铜作为实验材料在高能气动喷丸实验机上作喷丸实验,利用表面形貌仪、显微硬度仪以及电子背散射衍射方法对经喷丸处理的试样进行表面粗糙度、硬度及晶粒尺度的测量.结果表明,表面粗糙度随处理时间的增长呈指数衰减趋势;晶粒尺度细化了一个量级,由初始的25.48μm细化至2.52μm;且显微硬度由原来的0.58GPa增加到1.25GPa.量纲分析得到喷丸过程的5个无量纲参数,利用有限元模拟研究了无量纲参数的影响.自编制程序产生丸粒的随机碰撞并调用Ansys/ls-dyna模拟碰撞过程,并将模拟1000次碰撞的结果与相应的实验值进行了比较.

高压扭转致纯铜晶粒细化及与应变的关系

设计并加工了在材料试验机上使用的高压扭转夹持装置，并用装置获得了不同扭转变形量的纯铜试样．使用电子背散射衍射技术测量了处理后试样品粒尺寸沿径向的分布．对比分析了晶粒细化程度和应变量的关系，提出了一个描述晶粒细化的简单剪切球模型．结果表明，晶粒细化程度随着应变量的增大而增强，平均晶粒尺寸为原始平均尺寸的1／50．当剪切应变小于10对，晶粒尺寸随着剪切应变的增大迅速变小；当剪切应变大于10对，晶粒尺寸的变化趋于缓慢，晶粒细化程度与Stuwe等效应变之间有幂函数关系．依据简单剪切球形晶粒的模型，得到了晶粒细化程度随剪切应变增大而增强的规律，并与实验数据的变化趋势一致。

第二相粒子对ECAP挤压的2A12铝合金晶粒细化的影响

采用等径角挤压技术对2A12铝合金在室温下进行挤压,成功制备了亚微米尺度的块体铝合金材料.挤压前材料的平均晶粒尺寸约5μm,两次挤压后,平均晶粒尺寸细化至200nm左右.合金中的Al2Cu相在挤压过程中由针状变成了块状颗粒,而Al2CuMg相在挤压过程中晶粒大小基本不变.研究发现,硬颗粒Al.2CuMg对基体α-Al有剪切和割裂作用,可以促进基体的晶粒细化过程,并初步给出了晶粒细化的模型.

Co-expression of CD173 (H2) and CD174 (Lewis Y) with CD44 suggests that fucosylated histo-blood group antigens are markers of breast cancer-initiating cells

Histo-blood group antigens CD173 (H2) and CD174 (Lewis Y) are known to be developmentally regulated carbohydrate antigens which are expressed to a varying degree on many human carcinomas. We hypothesized that they might represent markers of cancer-initiating cells (or cancer stem cells, CSC). In order to test this hypothesis, we examined the co-expression of CD173 and CD174 with stem cell markers CD44 and CD133 by flow cytometry analysis, immunocytochemistry, and immunohistochemistry on cell lines and tissue sections from breast cancer. In three breast cancer cell lines, the percentage of CD173(+)/CD44(+) cells ranged from 17% to > 60% and of CD174(+)/CD44(+) from 21% to 57%. In breast cancer tissue sections from 15 patients, up to 50% of tumor cells simultaneously expressed CD173, CD174, and CD44 antigens. Co-expression of CD173 and CD174 with CD133 was also observed, but to a lesser percentage. Co-immunoprecipitation and sandwich ELISA experiments on breast cancer cell lines suggested that CD173 and CD174 are carried on the CD44 molecule. The results show that in these tissues CD173 (H2) and CD174 (LeY) are associated with CD44 expression, suggesting that these carbohydrate antigens are markers of cancer-initiating cells or of early progenitors of breast carcinomas.

QtUCP-A program for determining unit-cell parameters in electron diffraction experiments using double-tilt and rotation-tilt holders

A computer program, QtUCP, has been developed based on several well-established algorithms using GCC 4.0 and Qt (R) 4.0 (Open Source Edition) under Debian GNU/Linux 4.0r0. it can determine the unit-cell parameters from an electron diffraction tilt series obtained from both double-tilt and rotation-tilt holders. In this approach, two or more primitive cells of the reciprocal lattice are determined from experimental data, in the meantime, the measurement errors of the tilt angles are checked and minimized. Subsequently, the derived primitive cells are converted into the reduced form and then transformed into the reduced direct primitive cell. Finally all the patterns are indexed and the least-squares refinement is employed to obtain the optimized results of the lattice parameters. Finally, two examples are given to show the application of the program, one is based on the experiment, the other is from the simulation. (C) 2008 Elsevier B.V. All rights reserved.

Structure and magnetic properties of ScFe6Ga6-type RCo5Ga7 (R = Y, Tb, Dy, Ho and Er)

The structure and magnetic properties of the RCo5Ga7 (R = Y, Tb, Dy, Ho and Er) compounds with the ScFe6Ga6-type structure have been studied. The stability of RCo5Ga7 is closely related with the ratio of the metal radii R-RE/R-(Co,R-Ga). With R-RE/R-(Co,R-Ga) less than or equal to 1.36, the compounds can be stabilized in the ScFe6Ga6-type structure. The lattice of RCo5Ga7 shrinks as the atomic order of R increases, and it is consistent with the lanthanide contraction. The structure analysis based on X-ray diffraction patterns reveals that in the orthorhombic RCo5Ga7 (Immm), R occupies the 2a site, and Co enters into the 8k and the 4h sites, and Ga is at the 4e, 4f, 4g, 4h and 8k sites. The interatomic distances and the coordination numbers of RCo5Ga7 are provided from the refinement results. The short interatomic distance (less than 2.480 Angstrom) between the Co ions results in the negative magnetic interaction, which does not favor ferromagnetic ordering. The magnetic moment of YCo5Ga7 is absent, and RCo5Ga7 (R = Tb, Dy, Ho and Er) may have long-range magnetic ordering with the paramagnetic Curie temperature lower than 5 K. (C) 2004 Elsevier Inc. All rights reserved.

超图多级划分算法框架及对划分结果的多阶段优化

超图划分应用于大规模矩阵计算、大规模集成电路等领域.详细地阐述了超图多级划分的算法框架,并提出对划分结果进行优化的一种手段,通过进行多阶段的V循环优化,在可以接受的运行时间内得到对超图的一个较优的划分.

一种改进的数据求精证明规则

提出一种改进的数据求精规则，并用关系模式进行描述。引入全局状态来描述程序所有可能的输入和输出，允许非平凡的初始化，允许前向模拟和后向模拟，能应用于消除具体模型的不确定性晚于消除抽象模型的不确定性的情况。并用实例说明了在Isabelle定理证明器中规则的应用方法。

多粒度多维度软件过程度量和改进方法研究

随着软件对社会各领域、各层次的渗透，软件逐渐转变为一种对社会团体、 甚至对社会公众的服务，软件的规模越来越大、用户需求越来越多、功能和性能 要求也越来越复杂。因此，对软件的可用性、可靠性、可信性等质量要求不断提 高。伴随着软件业的逐渐发展，软件过程技术逐渐被应用于软件产品的开发当中。 “质量形成于产品的生产过程”这一理念逐渐被软件组织所接受。其核心思想体 现在通过对软件过程的策划、控制和改进来保证软件产品的质量，进而提高软件 组织的经营业绩。软件过程度量作为软件过程管理和过程改进的关键活动，越来 越为软件组织所重视。 通过实施过程管理，能够刻画项目或过程目标的满足程度，找到造成过程 或产品重大偏差的根本原因，进而实施过程改进。然而，在软件过程度量实施期 间，软件组织面对不同的软件开发过程、众多的过程性能度量指标、复杂的统计 分析方法，既要考虑量化管理方法的合理性和复杂程度，又要权衡量化管理的实 施成本，这使得实施有效的过程度量充满挑战。本文基于经验软件工程方法，提 出一种多粒度多维度软件过程度量框架，以及实现该框架的关键技术：软件过程 性能基线的建立和维护方法；同时介绍了该框架下的软件项目进度量化控制模 型，支持软件组织实施有效的过程管理和改进。 本文的主要贡献包括： 提出了一种多粒度多维度软件过程度量框架(Multi-granularity Multi-dimensional software Process Measurement Framework，M2-PMF)，该框架通 过综合考虑软件过程管理和改进的必要信息所属的特征维度和软件组织的过程 管理粒度，自底向上的通过实体层、度量分析层和目标层指导软件组织建立一套 可以覆盖软件全生命周期的、开放的、支持过程改进的综合指标体系和模型。支 持软件组织裁减和定制确定环境下的度量体系，清晰了解其软件过程能力和性 能，提高软件组织对软件过程的控制能力，保障软件开发过程和软件产品的质量。 提出了基于统计分析的过程性能基线的建立和改进方法（Baseline – Statistic - Refinement， BSR），该方法可以有效地建立和维护过程性能基线，支持软件 组织从定性管理提升到定量管理。该方法应用波动图，在过程尚不稳定、数据样 本不足的情况下尽可能多的获得过程改进信息，识别过程改进机会，确定过程改 进途径，帮助软件组织高效地改进其过程中明显的弱项。在过程逐步稳定之后， 利用控制图、排列图、因果图、散点图等统计工具，分析过程性能，建立过程性 多粒度多维度软件过程度量和改进方法研究 ii 能基线，并不断精化。 在M2-PMF 框架下，提出了基于统计过程控制（Statitical Process Control， SPC）和挣值管理（Earned Value Management，EVM）的项目进度量化控制模型 SEVM，该方法通过对项目进度指数的统计控制，分析其稳定性，并通过估算模 型，根据项目当前挣值数据推算项目总进度偏差，并加以控制。支持软件组织对 项目进度进行量化控制，提高了项目按期交付的可能性。 最后，介绍了本文提出的过程度量框架和量化管理方法在国内多家软件组 织中的实际应用。应用案例表明，本文的方法和模型具有广泛的适应性和高度的 可操作性。应用本文方法能够对项目进行有效的估算、度量和控制，进而提高产 品质量并改善客户满意度。

镍-金属氢化物电池新型负极材料研究

贮氢合金是镍一金属氢化物电池的核心材料，其综合性能的改善是提高镍一金属氢化物电池性能的关键。本研究以探索镍一金属氢化物电池新型负极材料为目的，以非ABS型贮氢合金为研究对象，采用X射线衍射、Rietveld分析、恒电流充／放电、P-C-T曲线及线性微极化等方法，从基础和潜在应用等方面详细研究了非ABS型合金的结构与电化学性能。对La-Ni体系中非ABS型二元合金的结构和电化学性能的研究表明，LaNi_(228)具有最优异的高倍率充电性能；La_2Ni_7合金电极的高倍率放电性能最佳；La_7Ni_3在低温条件下表现出较好的放电性能。然而，所有得到的La-Ni合金电极容量远低于其理论容量。因此，必须通过进一步研究，如元素取代、热处理、表面处理等来提高其电化学容量。对RENi_3（RE＝La，Ce，Pr，Nd，Sm，Gd，Th，Dy，Ho，Er，Y）研究表明：YNi_3合金因其具有最大的晶胞体积，最小的密度，而表现出最好的高倍率充／放电性能及低温放电性能，但其高温放电性能需要进一步提高，以满足实际应用的要求。用Al、Mn、Ti、Fe、Sn、Si、Cr、M。、Cu和Co十种元素取代Ni进行了大量的配方筛选工作。得到了大量的实验数据，并发现LaNi_(3.7)Al_(0.3)合金电极电化学放电容量最高，达290.8mAh／g；LaNi_(3.7)Mo_(0.3)合金电极的高倍率放电性能最好，在以4200mA/g的电流密度下进行放电时，其放电容量仍达到145.8mA/g；而I镍一金属氢化物电池新型负极材料研究镍一金属氢化物电池新型负极材料的研究Al的取代会使合金电极性能对温度不敏感。以我们的实验为基础，进一步进行合金配方的微调，具有可能开发出具有实用价值的贮氢合金的潜力。在Ar保护下用真空电弧炉熔炼合成了四种Lal一xMg：（NICoAI）3．6体系贮氢合金，制成姐卜Ni电池负极，通过恒电流充／放电方法研究了其电化学性能。结果表明：Lal一xMg：（NiCoAI）3．6体系金属氢化物电极较容易活化，室温下具有优异的高倍率放电性能，在以4200mA／g电流放电时，La卜汉gx（NICoAI）36合金电极的放电容量是ABS型合金电极的3倍，达152hah／g，显示出良好的动力学特性。R，入1兮Ni（R：raree田劝，Ca，Y）型合金因能吸引／释放1．8一1．87％质量的HZ而被认为是种很有希望的贮氢合金。但其吸／放氢平台过高，循环寿命短。如何提高Rh厦g剑19循环稳定性是这类合金能否成功商业化的关键。研究发现，Co能够显著提高ABS型合金电极的循环寿命，但其价格太贵。人们发现Al在提高电极寿命方面与C。有类似的作用，但Al元素的添加因其在碱性电解质的作用下在电极表面易生成致密的氧化膜而不利于氢的扩散，进而对高倍率放电性能不利。入物在提高电极表面活性，改善其高倍率放电性方面作用明显。本工作在前面的基础上用Al和MO联合取代Ni，以期待同时改善La一Mg一Ni一Co合金的循环稳定性和高倍率放电性能。详细研究了La07Mg03Ni切一（A105Mo05）x（x：o，0．2，0．4，0．6，0．8）系列贮氢合金的晶体结构和电化学性能。X射线衍射及Rietveld分析发现：所有La07Mg03Ni4D一x（A105Mo05）x合金均为包含PuNi3结构的六方LaZMgNig相、CaCus结构的LaNis主相及L匆Ni7，LaN儿和LaNi杂相的多相结构。合金中La（La，Mg）剑19相及LaNis相的晶格参数及晶胞体积均随合金中Al和Mo含量的增加而增大。用电化学方法测得的RC一T曲线显示：Al和'fo部分取代Ni降低了氢的平台压力。随合金中Al和Mo含量的增加，电极的电化学容量从329．7（x＝0）、徽橇毓孺鑫盆一11瀚加至365．物A吨（＝0．6）后又降低到351．3毗吨（x＝0．8）。当以1200m刀g的电流密度进行放电时，其I｛RD从62．0％沁0）增加到82．1％沁0．8）。线性微极化结果显示：Al和Mo的添加增大了合金表面的交换电流密度，因而也改善了合金电极的高倍率放电性能。另外，Al和M。取代合金中的Ni增大了氢在电极合金中的扩散系数（D），改善了La07Mgo3Ni4。一x（Alo5M。。5）x（X＝o，0．2，0．4，0．6，0．8）合金电极的低温放电性能（LTD）。

超图多级划分算法框架及对划分结果的多阶段优化

超图划分应用于大规模矩阵计算、大规模集成电路等领域.详细地阐述了超图多级划分的算法框架,并提出对划分结果进行优化的一种手段,通过进行多阶段的循环优化,在可以接受的运行时间内得到对超图的一个较优的划分.

Influence of processing temperature on microstructure and microhardness of copper subjected to high-pressure torsion

Cu samples were subjected to high-pressure torsion (HPT) with up to 6 turns at room temperature (RT) and liquid nitrogen temperature (LNT), respectively. The effects of temperature on grain refinement and microhardness variation were investigated. For the samples after HPT processing at RT, the grain size reduced from 43 mu m to 265 nm, and the Vickers microhardness increased from HV52 to HV140. However, for the samples after HPT processing at LNT, the value of microhardness reached its maximum of HV150 near the center of the sample and it decreased to HV80 at the periphery region. Microstructure observations revealed that HPT straining at LNT induced lamellar structures with thickness less than 100 nm appearing near the central region of the sample, but further deformation induced an inhomogeneous distribution of grain sizes, with submicrometer-sized grains embedded inside micrometer-sized grains. The submicrometer-sized grains with high dislocation density indicated their nonequilibrium nature. On the contrary, the micrometer-sized grains were nearly free of dislocation, without obvious deformation trace remaining in them. These images demonstrated that the appearance of micrometer-sized grains is the result of abnormal grain growth of the deformed fine grains.

千金子和暖地大叶藓的化学成分研究

本论文由三部分共4 章组成。第一部分阐述了大戟科大戟属传统中药千金子（Euphorbia lathyris L.）化学成分、生物学活性以及千金子化学成分的HPLC、UPLC-MS、GC-MS 分析成果。第二部分介绍了民族药材暖地大叶藓（Rhodobryum giganteum (Schwaegr.) Par.）的化学成分研究和结构鉴定。第三部分概述了大戟属 植物中大环二萜酯的研究进展。 第一章包括1－3 节。在第1, 2 节中报道了千金子（Euphorbia lathyris L.）95% 乙醇提取物的化学成分分离鉴定。我们采用正、反相硅胶柱层析、重结晶等各种分离方法，凭借MS、IR、NMR、X-ray 等现代仪器手段,从中共分离鉴定22 个化合物。其中8 个是高活性化合物前体-续随子烷型大环二萜及3 个巨大戟烷型二萜，还有香豆素、生物碱、甾体等类型，其中完成对5 个大环二萜酯构型的确认，对2 个二萜酯构型进行了修正。第3 节中介绍对千金子化学成分的细胞毒性、α-葡萄糖苷酶抑制活性、P-gp 表达抑制活性的模型筛选结果。 第二章包括3 节，第1 节报道不同产地千金子高效液相色谱定量分析结果。第2 节介绍了各大环二萜酯的HPLC-MS/MS 的分析结果，并且对其质谱裂解规律、UPLC-MS 快速鉴定方法做了进一步讨论。第3 节介绍了千金子挥发油成分分析。采用传统水蒸气蒸馏方法提取千金子中的挥发油，并经气相色谱－质谱联用（GC-MS）技术共分离鉴定出 49 个化合物，占挥发油总量的90.48％。 第三章包括1, 2 两节，第1 节报道了暖地大叶藓化学成分。采用正、反相硅胶，凝胶柱层析等各种分离方法和MS、IR、NMR 等解析手段，共分离鉴定10个化合物，其中一个环肽化合物为新化合物。第2 节介绍了暖地大叶藓挥发油成分分析，共分离鉴定出 52 个化合物，占其挥发油总量的85.67％。 第四章概述了大戟科大戟属植物中大环二萜酯的研究进展。 This dissertation consists of three parts. In the first part, it is elaborated that the phytochemical investigation from the traditional Chinese medicine: seeds of Euphorbia lathyris L.. Biological activity and constituents analysis by HPLC、UPLC-MS、GC-MS were reported. In the second part, it is discussed that the chemical constituents were isolated and identificated from minority nationalitical herb－Rhodobryum giganteum (Schwaegr.) Par.. The third part is a review about the progress of studies on macrocyclic diterpenes from Euphorbia. The first part is composed of 1－3 sections. The section 1and 2 is focused on the isolation and identification of chemical constituents from seeds of E. lathyris. 22 compounds were isolated from the seeds of E. lathyris. by isolation methods of column chromatography (silica gel, including reversed phase) and recrystallisation on the basis of spectroscopic methods including IR, MS, NMR and X-ray. In 8 macrocyclic and 3 ingenane diterpenes, the relative configuration of 5 macrocyclic diterpenes were confirmed, in which 2 were amended. In the third section, cell cytotoxic activity, restraining activity of α-Glucosidase and multidrug resistance (MDR) reversing activity about P-gp were tested. 5 potential revsering reagents were found. The second part is composed of 1－3 sections. In first section it is described that the quality of the chemical constituents of E. lathyris from 5 sources , which were analyzed by high-performance liquid chromatography. In addition, the fractionation rules of some macrocyclic diterpenes were discussed and Ultra Performance Liquid Chromatography/ electrospray ionization mass spectrometry (UPLC-MS) was applied for quick determination of compounds in the second section. In the third section, chemical analysis of the essential oil from seeds of E. lathyris by GC-MS were reported. The essential oil from the seeds of E. lathyris L. in Sichuan was extracted by steam distillation and 49 compounds were isolated and identified from the essential oil by gas chromatography-mass spectrometer (GC-MS). These compounds are accounted for 90.46% of the total essential oil. The second part, including section 4 and 5, is about the phytochemical investigation of R. giganteum. In the former section, ten compounds were isolated and identified. Among them, a new peptide was characterized by spectroscopic analysis including IR, MS and NMR. In the other section, 52 compounds were isolated and identified from the essential oil by gas chromatography-mass spectrometer (GC-MS). These compounds are accounted for 85.67% of the total essential oil. The third part is a review about the progress of studies on macrocyclic diterpenes from Euphorbia.