Stacking fault energy of cryogenic austenitic steels

Stacking fault energy and stacking fault nucleation energy are defined in terms of the physical nature of stacking faults and stacking fault energy, and the measuring basis for stacking fault energy. Large quantities of experimental results are processed with the aid of a computer and an expression for calculating stacking fault energy has been obtained as γ³⁰⁰_SF(mJ·m^-2)=γ⁰_SF+1.59Ni-1.34Mn+0.06Mn²-1.75Cr+0.01Cr²+15.21Mo-5.59Si-60.69(C+1.2N)^1/2 + 26.27(C+1.2N)(Cr+Mn+Mo)^1/2+0.61[Ni·(Cr+Mn)]^1/2.     

Giant stress—Impedance Effect in Amorphous and High—Current—Density Electropulsing Annealed Fe73.5Cu1Nb3Si13.5B9 Ribbons

The stress-impedance (SI) effect has been observed in as-cast and high-current-density electropulsing annealed Fe73.5Cu1-Nb3Si13.5B9 ribbons.Large SI ratios of -35% and 25% have been obtained in high-current-density electropulsing annealed samples but not in as-cast samples.The SI effect changes drastically with the density of the annealing current and the longitudinally applied stress during the annealing process.The effective permeability has been shown to be responsible for the SI effect.     

Fe-V-N稀合金中空位复合体特性的研究(Ⅱ)

本文利用离散变分法,集团模型和三维数值弛豫技术,研究了Fe-V-N稀合金中V-N-空位复合体的几何构型,正电子湮没特性和电子结构。根据正电子湮没寿命实验的结果和总能量极小原理,确定了V和N在V-N-空位复合体中的最佳占据位置。分析了V-N-空位复合体的成键特性和电荷转移情况。 关键词：     

The structural,elastic, and electronic properties of ZrxNbl-xC alloys from first principle calculations＊

The structural, elastic, electronic, and thermodynamic properties of ZrxNbl xC alloys are investigated using the first principles method based on the density functional theory. The results show that the structural properties of Zr~.Nb1 xC alloys vary continuously with the increase of Zr composition. The alloy possesses both the highest shear modulus （215 GPa） and a higher bulk modulus （294 GPa）, with a Zr composition of 0.21. Meanwhile, the Zr0.2! Nb0.79C alloy shows metallic conductivity based on the analysis of the density of states. In addition, the thermodynamic stability of the designed alloys is estimated using the calculated enthalpy of mixing.     

基于金银合金薄膜的近红外表面等离子体共振传感器研究

利用淀积在玻璃衬底上的金银合金薄膜作为表面等离子体共振(SPR)芯片, 构建了Kretschmann结构的近红外波长检测型SPR传感器. 采用不同浓度的葡萄糖水溶液测试了金银合金薄膜SPR传感器的折射率灵敏度. 实验结果表明随着入射角从7.5°增大到 9.5°, SPR吸收峰的半高峰宽从292.8 nm 减小到 131.4 nm, 共振波长从 1215 nm蓝移到 767.7 nm, 折射率灵敏度从35648.3 nm/RIU 减小到 9363.6 nm/RIU.在相同的初始共振波长(λ_R)下获得的金银合金薄膜SPR折射率灵敏度高于纯金膜(纯金膜在λ_R=1215 nm下的折射率灵敏度为29793.9 nm/RIU). 利用1 μmol/L的牛血清蛋白(BSA)水溶液测试了传感器对蛋白质吸附的响应.结果表明, BSA分子吸附使得金银合金薄膜SPR吸收峰红移了12.1 nm而纯金膜SPR吸收峰仅红移了9.5 nm. 实验结果还表明, 在相同λ_R下, 金银合金薄膜SPR吸收峰的半高峰宽大于纯金膜的半高峰宽, 因此其光谱分辨率比纯金膜SPR传感器低. 关键词： 金银合金薄膜 表面等离子体共振 波长检测型 高灵敏度     

第一性原理研究Hg2CuTi型Heusler合金Ti2FeB的磁性和半金属性

基于密度泛函理论的GGA计算,我们具体研究了Hg2 CuTi型Heusler合金Ti2 FeB的电子结构和磁性质,结果发现Ti2FeB合金在其费米面处存在100％的自旋极化,并在5.1～6.2(A)晶格范围内被保留.Ti2FeB具有大约0.5 eV的半金属带隙和1μB的原胞总磁矩,是一个稳定的半金属铁磁体.此外,我们的研究也表明RKKY型间接交换和d电子杂化在决定合金磁性质中起决定性作用.     

Structural, electronic, and optical properties of ZnOl_xSex alloys using first-principles calculations

The structural, electronic, and optical properties of binary ZnO, ZnSe compounds, and their ternary ZnOl_xSex alloys are computed using the accurate full potential linearized augmented plane wave plus local orbital （FP-LAPW ＋ lo） method in the rocksalt （B 1） and zincblende （B3） crystallographic phases. The electronic band structures, fundamental energy band gaps, and densities of states for ZnO1_xSex are evaluated in the range 0 〈 x 〈 1 using Wu-Cohen （WC） generalized gradient approximation （GGA） for the exchange-correlation potential. Our calculated results of lattice parameters and bulk modulus reveal a nonlinear variation for pseudo-binary and their ternary alloys in both phases and show a considerable deviation from Vegard＇s law. It is observed that the predicted lattice parameter and bulk modulus are in good agreement with the available experimental and theoretical data. We establish that the composition dependence of band gap is semi-metallic in B1 phase, while a direct band gap is observed in B3 phase. The calculated density of states is described by taking into account the contribution of Zn 3d, O 2p, and Se 4s, and the optical properties are studied in terms of dielectric functions, refractive index, reflectivity, and energy loss function for the B3 phase and are compared with the available experimental data.     

非晶态Mg70Zn30合金结构因子的预峰

利用X射线衍射仪对非晶态Mg₇₀Zn₃₀合金的结构进行了研究,获得了强度曲线、结构因子、双体分布函数和原子间最近邻距离.结果表明,Mg₇₀Zn₃₀合金在小Q区间存在强烈的预峰现象.根据预峰的特性,提出了Mg₇₀Zn₃₀熔体的结构模型,即Mg原子位于中心,8个Zn原子位于顶角所形成的简单立方结构模型.该模型以共享顶点的方式相连接,能够满足预峰对Mg—Mg原子间距离的要求.Mg< 关键词： 非晶态 70Zn₃₀合金')" href="#">Mg₇₀Zn₃₀合金 结构因子 预峰     

在合金Fe1—yCoySi中一种新的磁电阻微观机制

在混价锰氧化物巨磁电阻材料中[例如,(Ｌａ,Ｃａ)ＭｎＯ3],材料的金属性来源于掺杂,而材料的磁性(局域磁矩)原本就存在于母化合物(ＬａＭｎＯ3)中,磁性的载体是Ｍｎ离子内能量较低的三个ｄ电子(ｔ2ｇ电子).外加磁场迫使传导电子的自旋与局域矩趋于平行,减小了传导电子在格点间跳转的库仑能,从而导致负的磁电阻效应,即外加磁场使电阻减小.此外,也有的材料表现出正的磁电阻效应,其中可能涉及各种各样的机制:(1)电子在磁场中由于洛伦兹力的作用产生回旋运动,它增加了电子受散射的几率,从而导致电阻增大.上述机制仅发生在磁场平行于电场的情况下…