相平衡热力学方法在超细碳化物高碳合金钢合金设计中的应用

多元合金高碳钢成分设计合适时,钢中存在多类型碳化物(M3C、M23C6、M7C3、M6C和MC)在常规的锻轧加工和退火工艺条件下,碳化物具有超细化特征.根据Cr-W-Mo-V高碳合全钢的碳化物在退火温度下的变化规律,应用Fe-Cr-W-Mo-V-Si-Mn-C系相平衡热力学计算,给出各温度下的钢中相结构、相成分和相变规律;并根据不同奥氏体化温度下的基体成分,推导合适的热处理工艺,并预测淬火硬度和回火硬度;借助在电子、原子层次上计算马氏体基体的原子间平均结合能,推断屈服强度和韧性指标.按照技术指标对机械性能的要求,对合金元素不同含量的钢的全部计算结果进行比较,最终确定钢的合适的化学成分.用上述方法研制了系列多类型超细碳化物中合金高碳钢和高合金高碳钢,实践结果表明,理论设计计算与少量的生产性实验结合可以达到预期的目的.     

Ag-Cu合金的原子体积和体积函数

建立了原子体积相互作用的 9种函数 .由各V 函数计算Ag Cu合金的平均原子体积和晶格常数分别彼此相等 ,并与实验值符合较好 .由各理论函数计算的组元平均原子体积、特征原子体积各不相同 .只有对能量、体积和电子结构的相关性进行研究后 ,才能正确选择V 函数 ,才能建立合金系的完整知识系统 ,为科学设计新合金奠定基础 .对Ag Cu系中亚稳相的晶格常数与成分的关系也进行了讨论     

Al-Ni非晶合金的原子堆垛结构及密度的第一性原理分子动力学模拟

在Al基非晶合金中，Al-Ni系的非晶形成能力（GFA）相比其他系列较佳，但是目前对Al—Ni二元合金系的原子排列、玻璃转变和堆垛密度与成分之间的内在联系，至今还未形成系统的认识．本文利用第一性原理分子动力学（AIMD）模拟方法对AlxNi100-x（x=80，83，85，86，87，90）二元非晶合金的原子堆垛结构和密度进行了研究．双体分布函数和Voronoi多面体分析表明，在该非晶合金系中存在明显的拓扑和化学短程有序，拓扑短程序主要是由以Al原子为中心的类似二十面体结构和以Ni原子为中心的三棱体覆盖三个半八面体（TTP）结构组成．在该合金系非晶中A-与Ni原子间存在强烈的化学交互作用，Al—Ni原子对键长小于原子半径和，化学有序随着Ni含量的增加呈现增加的趋势．AIMD计算结果表明，当x=85时，合金的堆垛密度出现了峰值，偏离了直线规律．综合结构特征和密度特征，从理论上推断，当Al含量为84％～86％时，合金的非晶形成能力较好，可以推广至多元合金体系．     

BCC Nb-Mo合金系DO_3-和B2-型有序和无序合金性质的研究

本文依据系统合金科学的思想,推导了适合BCC体系的二元合金相互作用方程,然后根据Nb-Mo合金系中特征原子和特征晶体序列的基本信息及特征原子浓度,计算了DO3-Nb3Mo型,B2-NbMo型和DO3-NbMo3型有序合金和无序合金的性质,趋近计量比时有序合金比无序合金的性质变化大,偏离计量比时性质变化小,主要是由于有序度在计量成分时最大,偏离计量成分开始线性下降,反之,原子之间成键电子增多,近自由电子减少,键距缩短,晶体结合更紧密.     

NiAl合金原子间互作用势的拟合及点缺陷的计算

采用－ＦＳ多体势形式，拟合了Ｂ２型有序金属间化合物高温合金ＮｉＡｌ的势参数。并利用Ｒｏｓｅ等提出的经验Ｐ－Ｖ关系，对势函数进行了进一步修正。作为对势函数的验证和应用，运用分子动力学方法，计算了ＮｉＡｌ合金中点缺陷的性质。     

多元合金凝固界面形态演化模型

结合计算相图, 并在考虑了合金组元间的非线性交互作用的基础上, 充分考虑浓度场、温度场、界面张力效应和动力学效应的耦合作用过程, 对多元合金凝固界面形态演化进行了较为细致的研究, 发展了一个适用于多元合金定向凝固界面形态演化的准三维自洽模型.     

合金凝固列状晶/等轴晶转变

在考虑合金组元局部线性叠加的基础上, 结合计算相图, 对多元合金凝固枝晶列状/等轴生长特性进行了系统的研究. 通过考虑枝晶生长界面前沿的形核生长及竞争, 发展了一个适用于多元合金凝固列状晶/等轴晶转变的理论模型, 其与实验结果能很好的吻合.     

多元合金枝晶生长形态转变及显微偏析的相场法研究

采用多元合金相场模型及耦合真实热力学参数，对Ni-Al-Nb三元单相合金在不同过冷度及不同成分条件下的枝晶生长形态转化及显微偏析进行了研究．结果表明：在成分相同改变过冷度以及过冷度相同改变Nb含量两种条件下，随着无量纲过冷度U（U=△T／△T0，其中△T为过冷度，△T0为结晶温度间隔）的增大，两种条件下均出现枝晶形态由典型枝晶形态向球状晶形态转化，而枝晶显微偏析程度在两种条件下均呈现为先增大后减小的规律．     

Fe-Mn-C合金中的C-Mn偏聚及其对相变和形变的影响

采用价电子结构理论计算、微观成分的实验测定和TEM原位动态拉伸变形试验,研究了Fe-Mn-C合金中的C-Mn偏聚及其对相变和形变的影响.结果表明,Fe-8Mn-1.2C合金奥氏体中含C-Mn晶胞的n_A值是不含C晶胞的3.98倍,是含C晶胞的1.40倍;含C-Mn晶胞的n_C~D值是含C晶胞的2.21倍;在Fe-Mn-C合金奥氏体中存在C-Mn原子的微观偏聚,并形成了由-C-Mn-C-Mn-强键络相联结的Fe-Mn-C原子团偏聚区;散乱分布于Fe-Mn-C合金奥氏体中的Fe-Mn-C原子团偏聚区能有效地束缚原子的运动、阻滞滑移系的启动和阻碍位错的运动,强烈影响合金的相交和形变行为.     

定向凝固下共晶合金中相的竞争生长

通过讨论定向凝固下共晶合金中各相的凝固界面温度, 获得了共晶组织凝固的速率区间. 分析了有初生相下不同凝固速率中共晶凝固组织对应的固相成分, 给出了共晶合金出现共晶晕圈组织和同时存在α 相、β 相和(α+β)共晶三者竞争生长的凝固条件. 对Sn-Pb和Al-Si共晶合金的计算结果表明, Sn-Pb共晶合金定向凝固下不存在α相、β相和(α+β)共晶三者同时竞争生长的凝固组织, 也不存在共晶晕圈组织, 但Al-Si共晶合金中这两类组织都有可能存在, 数值计算结果与实验结果基本吻合.     

草地与农牧交错带退化生态系统重建及防治途径

草地不仅是草地畜牧业的基地，而且在生态环境保护与建设方面的作用尤为重要。草原与农牧交错带，即不同于西部牧区，也不同于东部农区。根据它在地理、气候、农林牧产业结构、生态、经济、文化、社会等方面具有自己独特地位的实际情况，因地制宜提出了相应之对策，为国家在西部大开发和草地与农牧交错带生态环境的恢复提供科学依据。     

Hyperbaric oxygen and testicular damage and fertility

Zusammenfassung Männliche Ratten zeigen nach einmaliger oder wiederholter stark erhöhter O₂-Zufuhr (3–5 at) Krämpfe und Lungenschäden und zum Teil Absterben. Schädigungen der Spermatogenese oder der Fertilität traten nicht auf.     

Telomeres and meiosis in health and disease

Meiotic dysfunction increasingly afflicts women as they age, resulting in infertility, miscarriage and handicapped offspring. How aging disrupts meiotic function in women remains unclear, but as women increasingly delay childbearing, this issue becomes urgent. Telomeres, which mediate aging in mitotic cells, may also mediate aging during meiosis. Telomeres shorten during DNA replication. In mammals, oocytes remain quiescent, but their precursors replicated during fetal oogenesis. Moreover, eggs ovulated from older women entered meiosis later during fetal oogenesis than eggs ovulated when younger, and therefore underwent more replications. Telomeres also shorten from reactive oxygen, which triggers a DNA repair response, so the prolonged interval between fetal oogenesis and ovulation in some women would further shorten telomeres. Mice normally do not exhibit age-related meiotic dysfunction (interestingly, their telomeres are manyfold longer than telomeres in women), but genetic or pharmacologic shortening of mouse telomeres recapitulates the reproductive aging phenotype of women. This has led to a telomere theory of age-related meiotic dysfunction in women, and underlined the importance to human health of a mechanistic understanding of telomeres and meiosis.     

Telomeres and meiosis in health and disease

Telomeres are important segments of chromosomes that protect chromosome ends from nucleolytic degradation and fusion. At meiosis telomeres display an unprecedented behavior which involves their attachment and motility along the nuclear envelope. The movements become restricted to a limited nuclear sector during the so-called bouquet stage, which is widely conserved among species. Recent observations suggest that telomere clustering involves actin and/or microtubules, and is altered in the presence of impaired recombinogenic and chromosome related functions. This review aims to provide an overview of what is currently known about meiotic telomere attachment, dynamics and regulation in synaptic meiosis.     

Telomeres and meiosis in health and disease

Beyond their role in replication and chromosome end capping, telomeres are also thought to function in meiotic chromosome pairing, meiotic and mitotic chromosome segregation as well as in nuclear organization. Observations in both somatic and meiotic cells suggest that the positioning of telomeres within the nucleus is highly specific and believed to be dependent mainly on telomere interactions with the nuclear envelope either directly or through chromatin interacting proteins. Although little is known about the mechanism of telomere clustering, some studies show that it is an active process. Recent data have suggested a regulatory role for telomere chromatin structure in telomere movement. This review will summarize recent studies on telomere interactions with the nuclear matrix, telomere chromatin structure and factors that modify telomere chromatin structure as related to regulation of telomere movement.     

Telomeres and meiosis in health and disease

Telomeres are important segments of chromosomes that protect chromosome ends from nucleolytic degradation and fusion. At meiosis telomeres display an unprecedented behavior which involves their attachment and motility along the nuclear envelope. The movements become restricted to a limited nuclear sector during the so-called bouquet stage, which is widely conserved among species. Recent observations suggest that telomere clustering involves actin and/or microtubules, and is altered in the presence of impaired recombinogenic and chromosome related functions. This review aims to provide an overview of what is currently known about meiotic telomere attachment, dynamics and regulation in synaptic meiosis.     

Models and structures: Phenomenological and partial

In a recent paper, Suárez and Cartwright (2008) return to the example of London and London's construction of a model for superconductivity and raise a number of concerns against the account of this construction presented in French and Ladyman (1997) and elsewhere. In this discussion note, we examine the challenge they raised and offer our responses.