永磁材料R_(1-δ)(2T)_δT_5型化合物[(R=稀土元素,T=Fe,Co,Ti,V,等过渡金属元素),(δ=2/5,1/2)]的结构和磁性

总结了稀土金属（Ｒ）与过渡金属（Ｔ）化合物ＲＴ５型系列衍生物中Ｒ３（Ｆｅ,Ｍ）２９和Ｒ（Ｆｅ,Ｍ）１２的结构和内禀磁性,以及它们之间的关系．阐述了稳定元素（Ｍ）和嵌入轻原子（Ｎ,Ｃ,Ｈ）对其结构和内禀磁性的影响。     

Site preference of ternary additions in Ni3Al

The substitution behavior of ternary additions in Ni3Al is systematically studied using interatomic potentials. The pair potentials between identical and distinct atoms are obtained via strict lattice inversion based on the first-principle cohesive energy curves. Taking long-range interaction into account, the quantitative calculations for the alloys containing various amounts of alloying elements are made by utilizing a relaxed sample averaging method. The relative magnitudes of cohesive energy corresponding to different configurations are used. The calculated results are in good agreement with the results of experiments. Finally, some predictions are made for the substitution behavior of certain alloying elements and some elements in the region of surface and interface that have not been previously studied.     

Regularities of formation of binary intermetallic compounds between transition and non-transition elements

A four-parameter model based on the extended Miedema’s cellular model of alloy phases and pattern recognition methods has been used to study the regularities of the formation of binary intermetallic compounds between transition element and non-transition element. The formation criterion can be expressed as some inequities of electronegativity ∮, the valence electron density in Wagner-Seitz cell n_ws^1/3, Pauling’s metallic radius R and the number of valence electrons in atom Z or their functions. According to these empirical criterions, the “unknown” binary alloy system can be predicted, the predicted result is better than that of Miedema’s two-parameter model.     

不完全偏好下的极大元存在定理及其应用

首先提出了不完全偏好的概念,发现了不完全偏好与半序之间的关系.然后,将这种关系和拓扑学中的一些原理相结合,并利用Zorn引理得到了许多不完全偏好下的极大元存在定理,推广了Brezis-Browder序集一般原理.作为应用,证明了在半序集中取值的紧距离空间上的拟连续函数必有广义极小值,这个结果是著名的Weierstrass定理的改进.     

医用材料Mg-Y-Nd-Zr合金的组织及力学性能

采用电阻炉和316L不锈钢坩埚,在RJ-2覆盖剂的保护下制备4种不同质量分数钕(Nd)的Mg-Y-Nd-Zr合金.采用电子探针、X射线衍射分析、拉伸测试、扫描电镜等方法研究4种合金的组织及力学性能.结果表明,Mg-Y-Zr合金主要由-αMg和Mg24Y5相组成,加入Nd后,形成了新相Mg12Nd;Mg-Y-Nd-Zr合金断口具有准解理和韧性断裂的混合特征,其力学性能因Nd的质量分数不同而变化,弹性模量为25.8~35.8 GPa,接近人体骨的模量,可满足医疗器械及用于心脏介入治疗生物可降解材料力学相容性要求.     

低合金钢中合金元素对基体的作用及性能影响

选取低合金钢12Cr1MoV作为研究材料,通过分析表明,12Cr1MoV钢中存在2种主要结构模型:不含C单元-αFe和含C单元-αFe-C。在此基础上,建立相应模型,利用MaterialsStudio软件的CASTEP模块对模型进行计算,计算出基体的结合能、费米能级,从而分析出不同合金元素对基体的腐蚀性及对稳定性的影响。研究表明,对于含C基体和不含C基体有以下共同结论:1)对于提高基体的稳定性,Mo元素的作用要强于Gr元素与V元素;2)对于提高基体的抗氧化性,Cr元素的作用要强于Mo与V元素。     

合金元素对SHS伴生金属涂层基本性能的影响

 为探究合金元素对伴生金属涂层基本性能的影响,选用Ф78 mm×8 mm×550 mm的无缝钢管,在管内壁距离管端200~350 mm处提前开设150 mm×10 mm×4 mm的长形槽,采用自蔓延高温合成技术制备添加不同含量合金元素的伴生金属涂层。通过维氏硬度测量、电子显微扫描、酸液浸泡腐蚀试验,分别探究不同合金元素对伴生金属涂层孔隙、裂纹、硬度以及耐蚀性能的影响。结果显示,添加 Nb、Cr 元素后伴生金属层硬度提高,孔隙与裂纹明显减少,金相组织趋于均匀化。伴生金属层的耐蚀性能与Cr、Nb元素添加量成正比,ZrO₂的添加量影响不大。耐蚀性最好的伴生金属涂层腐蚀仅失重0.271 g,失重率为2.71%,失重率仅为纯铁层的21.22%。结果表明,Nb、Cr元素的加入能有效改善伴生金属涂层的基本性能,而Zr元素对涂层性能影响较小。     

Effect of alloying elements and processing parameters on the Portevin-Le Chatelier effect of Al-Mg alloys

The effects of alloying elements and processing parameters on the mechanical properties and Portevin-Le Chatelier effect of Al-Mg alloys developed for inner auto body sheets were investigated in detail. Tensile testing was performed in various Zn and Mg contents under different annealing and cold-rolling conditions. In the results, the stress drop and reloading time of serrations increase with increasing plastic strain and exhibit a common linear relationship. The increase rates of stress drop and reloading time increase with increasing Mg or Zn content. The alloys with a greater intensity of serrated yielding generally exhibit a greater elongation. The stress drop and reloading time of serrations decrease with increasing grain size in the case of the annealed samples. The cold-rolled sample exhibits the most severe serration because it initially contains a large number of grain boundaries and dislocations.     

Effect of alloying elements on valence electron structure (VES) of Fe-3Al intermetallic compounds

The hybridized state of each atom changes with various changes of alloying elements and different alloying degrees. It is shown that during the course of alloying, the changes in the microsolid_state reflection such as atomic hybridized state make the corresponding VES parameters change, and that affects the mechanical properties of Fe-3Al alloys.     

Effect of alloying elements on valence electron structure (VES) of Fe3A1 intermetallic compounds

The hybridized state of each atom changes with various changes of alloying elements and different alloying degrees. It is shown that during the course of alloying, the changes in the microsolid-state reflection such as atomic hybridized state make the corresponding VES parameters change, and that affects the mechanical properties of Fe₃Al alloys.     

KPb2Cl5晶体中掺杂Er3+和Eu3+离子占据格位倾向性的原子模拟研究

本文采用经验势原子方法模拟研究了稀土Er3+和Eu3+离子掺入KPb2Cl5晶体的格位占据情况,其中经验势参数通过拟合KPb2Cl5、PbCl2、ErCl3、EuCl3晶体结构得到.在此基础上,研究了KPb2Cl5晶体的本征缺陷和替代缺陷,而且通过溶解反应能计算发现,掺杂Er3+/Eu3+离子更倾向于占据Pb2格位,并由最近邻的K空位缺陷提供电荷补偿.这一结论与文献报道的KPb2Cl5:Eu3+光谱分析结果一致,为Er3+掺杂KPb2Cl5占据格位实验假设提供理论支持.