Development of thermodynamic database for nuclear fuel element materials and its application in the design of nuclear materials

核能是一种重要的新能源，而核材料将是实现核反应堆安全、高效运行的重要物质保障。核燃料元件（核燃料＋包壳）材料是核反应堆材料中的重要组成部分。由于核燃料元件材料的研究受到苛刻的实验条件限制，通过大量实验尝试的传统材料研究方法不适合于该材料的研发。为了设计高性能的核燃料元件材料，有必要掌握相关的相图和热力学信息。本论文基于计算相图的方法(CALPHAD)，对核燃料元件材料常用元素组成的体系进行了热力学优化与计算，并在此基础上建立了核燃料元件材料的热力学数据库，主要研究工作如下： （1）基于文献报道的U-X(X:Pb，Sn，Ru，Re)，Pu-X(X:Pb，Ru，O)和Th-X(X:Re，O)各个...Nuclear energy is an important kind of new energies, and it is an important guarantee for the secure and highly efficient operation of the nuclear reactors. Nuclear fuel element ( nuclear fuel + cladding) materials are the vital part of nuclear materials. However, due to the rigorous restriction of the experimental conditions for the nuclear fuel element material, the traditional trial and error m...学位：工学博士院系专业：材料学院材料科学与工程系_材料学学号：2072008015001

Thermodynamic Assessments of Phase Diagrams in U-Th Based Alloys

核能是一种重要的新能源，而核材料将是实现核反应堆安全、高效运行的重要物质保障。铀钍合金是核材料中的重要组成部分。由于核材料的研究受到苛刻的实验条件限制，通过大量实验尝试的传统材料研究方法不适合于核材料的研发。为了设计高性能的核材料，有必要掌握相图和热力学信息。本论文基于计算相图的方法(CALPHAD)，对U-Th-X(X:Pu,Cr,Cu,Mg,Mn,Nb,Zr)各三元系的相图进行了热力学优化与计算，并在此基础上建立铀钍基合金的热力学数据库，主要研究工作如下：(1)系统收集、整理和分析了U-X（X:Mn,Nb,Th,Cr,Cu,Mg）六个二元系的热力学信息和实验相图数据，首次优化与计算了U-X...Nuclear energy is an important kind of new energy, and nuclear materials are an important guarantee for the secure and highly efficient operation of the nuclear actors. U-Th based alloys are the vital part of nuclear materials. However, due to the rigorous restriction of the experimental conditions for the nuclear material, the traditional trial and error method is not useful for the investigation...学位：工程硕士院系专业：化学化工学院材料科学与工程系_材料学学号：1932005130195

ISR@bucknell

isr@bucknell was a newsletter published by Bucknell University\u27s Information Services and Resources department (later Library and Information Technology). The publication served the community by providing software, project, and service updates. Regular features included a letter from the Associate Vice President for Information Services and Resources, the Ask ISR column, and featured ISR web pages. This issue includes the following articles: Blackboard Rocks, Faculty Focus, The Company We Keep, Appletree Alley, Citation Searching is Here, Bucknell Banner Web, Ask ISR

Thermodynamic modeling of the Pb-U and Pb-Pu systems

通讯作者地址: Wang, CP (通讯作者), Xiamen Univ, Dept Mat Sci & Engn, Coll Mat, Xiamen 361005, Peoples R China 地址: 1. Xiamen Univ, Dept Mat Sci & Engn, Coll Mat, Xiamen 361005, Peoples R China 2. Xiamen Univ, Res Ctr Mat Design & Applicat, Xiamen 361005, Peoples R China 电子邮件地址: [email protected] thermodynamic assessments of the Pb-U and Pb-Pu binary systems were carried out using the CALPHAD (calculation of phase diagrams) method based on experimental data for thermodynamic properties and phase equilibria. The Gibbs free energies of the liquid, bcc, fcc, (alpha U), (beta U), (delta'Pu), (gamma Pu), (beta Pu) and (alpha Pu) phases were described by a subregular solution model with the Redlich-Kister equation, and those of the intermetallic compounds (Pb3U, PbU, PbPu3, Pb3Pu5, Pb4Pu5, Pb5Pu4, alpha Pb2Pu, beta Pb2Pu and Pb3Pu) by a two-sublattice model. The thermodynamic parameters for the two binary systems were optimized to consistently reproduce the available experimental data with satisfactory agreement. (C) 2010 Elsevier B.V. All rights reserved.National Natural Science Foundation of China 5077108

Thermodynamic modeling of the Mg-Pu and Cu-Pu systems

通讯作者地址: Liu, XJ (通讯作者), Xiamen Univ, Dept Mat Sci & Engn, Coll Mat, Xiamen 361005, Peoples R China 地址: 1. Xiamen Univ, Dept Mat Sci & Engn, Coll Mat, Xiamen 361005, Peoples R China 2. Xiamen Univ, Res Ctr Mat Design & Applicat, Xiamen 361005, Peoples R China 电子邮件地址: [email protected] thermodynamic assessment of the Mg-Pu and Cu-Pu systems was carried out by using the calculation of phase diagrams (CALPHAD) method on the basis of experimental data including thermodynamic properties and phase equilibria. The Gibbs free energies of the liquid, fcc, hcp, alpha Pu, beta Pu, gamma Pu, delta Pu, delta'Pu, and epsilon Pu phases were described by the subregular solution model with a Redlich-Kister equation, and those of the intermetallic compounds in the Mg-Pu and Cu-Pu binary systems were described by the sublattice model. A consistent set of thermodynamic parameters were derived for describing the Gibbs free energies of solution phases and intermetallic compounds in the Mg-Pu and Cu-Pu binary systems. An agreement between the calculated results and experimental data is obtained. (C) 2009 Elsevier B.V. All rights reserved.National Natural Science Foundation of China 50425101 5077108

Thermodynamic assessments of the Al-Th and Th-Zn systems

通讯作者地址: Wang, CP (通讯作者), Xiamen Univ, Dept Mat Sci & Engn, Coll Mat, Xiamen 361005, Peoples R China 地址: 1. Xiamen Univ, Dept Mat Sci & Engn, Coll Mat, Xiamen 361005, Peoples R China 2. Xiamen Univ, Res Ctr Mat Design & Applicat, Xiamen 361005, Peoples R China 3. Chongqing Univ, Coll Mat Sci & Engn, Chongqing 400045, Peoples R China 电子邮件地址: [email protected] phase diagrams of the Al-Th and Th-Zn systems have been evaluated by using the Calculation of Phase Diagrams (CALPHAD) method with the experimental data including the phase equilibria and thermodynamic properties. The Gibbs free energies of the liquid, bcc and hcp phases were described by the subregular solution model with the Redlich-Kister equation, and those of the stoichiometric compounds of the Th2Al, Th3Al2, ThAl, Th2Al3, ThAl2, ThAl3, Th2Al7, Th2Zn, ThZn2, ThZn4 and Th2Zn17 were described by the two-sublattice model. The calculated phase equilibria and thermodynamic properties are in good agreement with the experimental data. (C) 2009 Elsevier B.V. All rights reserved.National Natural Science Foundation of China 50425101 50771087 50725413 Ministry of Education, PR China 707037 National Basic Research Program of China 2007CB61370

Geographic patterns of endemic seed plant genera diversity in China

通讯作者 Author for correspondence. E-mail: [email protected][中文文摘]生物特有现象的地理格局及其形成机制是生物地理学的重要研究内容。本文通过整合173个地区的中国种子植物特有属编目资料、环境和空间因子数据,运用多元回归和方差分解的方法,探索了中国种子植物特有属丰富度及其占全部种子植物属丰富度的比例(特有属比例)与环境(生境异质性和气候)和空间因子的关系。结果表明:(1)特有属丰富度及特有属比例具有很强的空间变异性,在华中地区最高,而靠近国界和大陆边缘的地区较低;相比而言,种子植物属丰富度的空间变异性较弱,且表现出显著的纬度梯度性;(2)特有属丰富度及特有属比例主要由空间因子和生境异质性(地形的复杂性)决定,即在大的空间尺度上,地理位置决定一个地区特有属比例的理论值,生境异质性和气候因子对其进行微调;而种子植物属丰富度的地理格局主要受气候和生境异质性的影响。(3)中国种子植物特有属是主观性非常强的概念,特有属比例所反映的植物区系系统发育信息可能会很低;空间因子所解释的方差中到底有多少是系统发育因素,还需要进一步的研究。本文最后讨论了当前特有属定义和判定的不足之处。虽然理论上认为特有属的判定不应以行政边界为标准,但是目前几乎所有的中国特有属划分方法均以国界为准,这在一定程度上降低了中国种子植物特有属概念的科学内涵和在实践中的作用。因此,我们建议在理论和实践中对中国种子植物特有属概念采取审慎的态度。[英文文摘]Endemism describes the phenomenon that the distribution of individual species/taxa is critically restricted to a specific region.Seed plant genera endemic to China(endemic genera) are those with their main geographic distribution range within the borders of China.The geographic patterns of endemic genera can not only guide conservation planning,but these organisms are also important biological resources.We gathered data of 173 localities on environmental and spatial factors,and regional seed plant genera richness(GRN),endemic genera richness(EGRN) and endemic genera ratio(EGR),which was calculated by dividing EGRN by GRN.Multiple regression and variance partitioning were used to examine how environmental and spatial variables affect GRN,EGRN,and EGR.Our results showed that:(1) EGRN and EGR had stronger spatial variability than GRN,with highest values(richness and ratio) in central China and lower near national borders and continental edges.GRN exhibited an evident latitudinal gradient.(2) EGRN and EGR were mainly determined by habitat heterogeneity and spatial factors.Regional theoretical EGR was constrained by its geographical location,and was further adjusted by habitat heterogeneity(topographical complexity) and climatic factors.Geographical patterns of GRN,on the other hand,were mainly determined by climatic conditions and habitat heterogeneity rather than spatial factors.(3) Seed plant genera endemic to China could be rather difficult to define,and probably reflected inadequate information on phylogenetic evolution of local flora.Further studies are needed to examine the variance explained by spatial factors through a phylogenetic lense.Finally,flaws in the definition and classification of seed plant genera endemic to China were discussed.Theoretically,genera endemic to China should not be defined according to the political borders.But,in practice,nearly all the lists of seed plant genera endemic to China proposed by several authors were based on the relationship between the geographic distribution of specific genus and national borders.Thus,we recommend that,the concept of seed plant genera endemic to China should be used carefully in both theoretical research and biodiversity conservation practices.国家重点基础研究发展计划(973)项目(2009CB421105);国家科技支撑计划项目(2006BAC08B04

从蛇足石杉中超声提取石杉碱甲和石杉碱乙

用正交试验确立了超声提取蛇足石杉生物碱的最佳条件。以石杉碱甲和石杉碱乙回收率为指标，考察了溶剂倍数、溶剂浓度、超声时间、超声功率等因素的影响。结果表明，在室温下超声提取的最优条件为：酸浓度O．8％(v／v)，液固比例20：1，超声功率600W，超声15min。三次重复实验所得石杉碱甲和石杉碱乙回收率分别是9r7．3％和93．5％，相对标准偏差分别为1．31％和1．40％(n=3)。与传统的回流提取工艺相比，过程时间从2h缩短为15min，回收率提高了10％以上

从蛇足石杉中超声提取石杉碱甲和石杉碱乙

用正交试验确立了超声提取蛇足石杉生物碱的最佳条件。以石杉碱甲和石杉碱乙回收率为指标，考察了溶剂倍数、溶剂浓度、超声时间、超声功率等因素的影响。结果表明，在室温下超声提取的最优条件为：酸浓度O．8％(v／v)，液固比例20：1，超声功率600W，超声15min。三次重复实验所得石杉碱甲和石杉碱乙回收率分别是9r7．3％和93．5％，相对标准偏差分别为1．31％和1．40％(n=3)。与传统的回流提取工艺相比，过程时间从2h缩短为15min，回收率提高了10％以上

从蛇足石杉中超声提取石杉碱甲和石杉碱乙

用正交试验确立了超声提取蛇足石杉生物碱的最佳条件。以石杉碱甲和石杉碱乙回收率为指标，考察了溶剂倍数、溶剂浓度、超声时间、超声功率等因素的影响。结果表明，在室温下超声提取的最优条件为：酸浓度O．8％(v／v)，液固比例20：1，超声功率600W，超声15min。三次重复实验所得石杉碱甲和石杉碱乙回收率分别是9r7．3％和93．5％，相对标准偏差分别为1．31％和1．40％(n=3)。与传统的回流提取工艺相比，过程时间从2h缩短为15min，回收率提高了10％以上