高压下Al0.77Mn0.19Yb0.04合金准晶T相形成及结构

 利用静高压（4.2 GPa）熔态（1 300 ℃）淬火（10² ℃/s）方法，对含稀土的铝锰合金Al_0.77Mn_0.19Yb_0.04进行了研究。首次发现了准晶T相得形成。利用选区透射电子衍射技术，对合金中准静态的结构对称性进行了观察和分析。根据X射线和电子衍射对其衍射峰进行了指标化。使用扫描电镜和能谱技术进行了成份分析。     

高压下Al65Co20Mn15合金准晶相得截获及其稳定性的研究

 本文利用高压熔态淬火方法，对Al₆₅Co₂₀Mn₁₅合金进行了研究。首次发现在4.4 GPa压力下淬火的样品中有准晶T相形成。使用电子衍射和X射线衍射对准晶态进行了鉴别。用高温X射线衍射进行了热稳定性研究，发现Al₆₅Co₂₀Mn₁₅合金中准晶T相得晶化温度约为600 ℃。     

静高压对Mn_4Si合金液－固转变中间相形成的影响及准晶相的截获

利用静高压熔态淬火方法对Ｍｎ＿４Ｓｉ合金液－固非平衡转变过程进行了研究。发现真空熔炼的合金中常见的（Ｍｎ＿４Ｓｉ）ξ相在高压下是不稳定的。而真空熔炼合金中没有的（Ｍｎ＿６Ｓｉ）Ｒ相在高压液－固转变过程中出现了。首次在４．５ＧＰａ压力下通过熔态淬火截获到了十二次准晶相。使用透射电子衍射技术对其进行了鉴别；使用Ｘ射线衍射对各晶体相和准晶相的结构和稳定性进行了研究。     

静高压对Mn4Si合金液—固转变中间相形成的影响及准晶相的截获

利用静高压熔态淬火方法对Ｍｎ４Ｓｉ合金液－固非平衡转变过程进行了研究。发现真空熔炼的合金中常见的（Ｍｎ４Ｓｉ）ζ相在高压下是不稳定的。而真空熔炼合金中没有的（Ｍｎ６Ｓｉ）Ｒ相在高压液－固转变过程中出现了。首次在４．５ＧＰａ压力下通过熔态淬火截获到了十二次准晶相。使用透射电子衍射技术对其进行了鉴别；使用Ｘ射线衍射对各晶体相和准晶相的结构和稳定性进行了研究。     

准晶体——已有名声的二十面体对称性

“二十面体”准晶体的结构和性质是美国物理学会最近一次年会(巴尔的摩,1985年3月25-29日)上热烈讨论的问题之一.准晶体看来代表一种新的物态,它既具有二十面体点对称性,又具有一种变态的平移序.准晶体的结构特点可以从平面的Penrose拼接[1]中得到启发. 国家标准局D.Shechtinan首先在急冷Al-Fe、Al-Mn、Al-Cr合金中发现了二十面体有序性,尺寸可以大到2μm的枝晶伏微准晶体,象晶体经常产生的那样产生明锐的电子衍射,但这种电子衍射具有二十面体对称性.初等几何分析证明晶体不具有二十面体对称性.对上述晶体学上不允许出现的电子衍射,一种…     

3GPa压力处理对Cu-Zn合金热膨胀系数的影响

利用膨胀仪测试了Cu-Zn合金在3 GPa压力处理前后、25~700℃温度范围内的热膨胀系数;借助金相显微镜、X射线衍射(XRD)及差示扫描量热分析(DSC)技术,对高压处理前后合金的金相组织及相变进行了分析。在此基础上,探讨了高压处理对Cu-Zn合金热膨胀性能的影响。结果表明:高压处理能增大Cu-Zn合金的热膨胀系数,改变热膨胀系数随温度的变化规律,当温度为535.14℃时,热膨胀系数呈现高峰值,较同等温度未经高压处理的Cu-Zn合金的热膨胀系数增大了49.48%。     

单晶ZnO纳米线的合成和生长机理研究

用化学气相输运(CVT)方法合成了直径在20～120nm呈单晶结构的ZnO纳米线.利用场发射扫描电 镜(FESEM)、高分辨透射电镜(HRTEM)以及选区电子衍射(SAED)等技术对ZnO纳米线的生长机理和结构进行 了系统研究,结果表明,纳米线的成核与Au Zn合金催化颗粒的饱和度有直接的关系,先饱和的颗粒上纳米线首 先成核.纳米线顶端合金颗粒组成的变化是导致纳米线生长终止的重要原因,大量纳米线的生长不是同时进行 的.本工作提供了支持纳米线气液固(V L S)生长机理的新实验证据,提出了氧化物纳米线的生长机理.     

合金中的准晶态

长期以来,认为金属合金只有两种组态,即晶态和非晶态.最近用电子衍射、x射线衍射和电子显微术方法,在快冷铝锰合金(含锰14%原子比)中发现了一种既不是晶体,也不是非晶体的亚稳相[1].其外貌近似于球形,尺寸可达2μm,嵌锒在面心立方铝晶体中,如同晶体多中心地成核于残存液相固体之中.从不同角度拍摄的电子衍射图上,可以看到六个五次轴、十个三次轴或十五个二次轴,并确定了此相属m35点群.因五次对称轴与平移对称性相矛盾,故此相不同于晶体,但又与晶体有类似之处,故称为准晶体.根据理论计算,理想的二十面体准晶体可以给出有五次对称性的电子衍射…     

静高压下Al80Mn14Si6合金准晶相形成的研究

 本文首次研究了Al₈₀Mn₁₄Si₆合金在静高压下准晶相得形成。利用静高压熔态淬火方法，在压力2.8和3.1 GPa下得到淬火的Al-Mn-Si样品。电子和X射线衍射实验表明，高压淬火样品中含有准晶二十面体相和非晶相。X射线衍射实验还表明，高压淬火样品经350 ℃退火一小时基本上没有发生变化；而经过500 ℃退火一小时后，准晶相晶化为α-Al₇₃Si₁₀Mn₁₇相。另外，电子衍射实验表明，高压淬火后样品中还存在其它中间亚稳相。本文还讨论了静高压熔态淬火方法的适用性。     

铸锭凝固组织对相应非晶合金晶化过程中二十面体准晶相形成动力学的影响

通过在真空电弧熔炼炉内对合金铸锭进行反复熔炼处理，获得到了凝固组织不同的Zr₆₅Al_7.5Cu_12.5Ni₁₀Ag₅合金铸锭.在相同的制备条件下，由凝固组织不同的合金铸锭通过吸铸法制备得到了薄片非晶合金.利用差示扫描量热法(DSC)对非晶合金的晶化动力学进行了分析.x射线衍射谱表明，在Zr₆₅Al_7.5Cu_12.5Ni₁₀Ag₅非晶合金晶化过程中，二十面体准晶相(I相)作为初生相析出.Kissinger分析结果表明，合金铸锭的凝固组织细化，相对应的非晶合金发生晶化时，I相形成与分解的有效激活能都增大，说明非晶合金及析出的I相的热稳定性都提高.从结构的遗传性角度就合金铸锭凝固组织对相应非晶合金晶化过程中二十面体准晶相的形成动力学的影响进行了讨论. 关键词： 二十面体准晶相 晶化动力学 凝固组织     

Theoretical Study of the Collision-Induced Double Transition CO(2) (nu(3) = 1) + N(2) (nu(1) = 1) <-- CO(2) (nu(3) = 0) + N(2) (nu(1) = 0) at 296 K

A procedure is presented for the calculation of the double vibrational collision-induced absorption CO(2) (nu(3) = 1) + N(2) (nu(1) = 1) <-- CO(2) (nu(3) = 0) + N(2) (nu(1) = 0) on the basis of quantum lineshapes computed using an isotropic potential and dipole-induced dipole functions. The linestrengths and energies of the vibration-rotation transitions are treated explicitly for N(2), utilizing the HITRAN database for CO(2). The theoretical absorption profile is compared to recent experimental results. By narrowing the width of the individual lines contributing to the overall absorption profile relative to their values determined for N(2)-N(2) collision-induced absorption, excellent agreement between theory and experiment is obtained. Copyright 2000 Academic Press.     

First Observation of the nu(17)-nu(4) Difference Bands of Diborane (10)B(2)H(6) and (11)B(2)H(6)

An analysis of the nu(17)-nu(4) difference bands near 800 cm(-1) of two isotopic species, (10)B(2)H(6) and (11)B(2)H(6), of diborane has been carried out using infrared spectra recorded with a resolution of ca. 0.003 cm(-1). In addition, the nu(17) band of (10)B(2)H(6) has been recorded and assigned. Since this band in (11)B(2)H(6) had already been studied (R. L. Sams, T. A. Blake, S. W. Sharpe, J.-M. Flaud, and W. J. Lafferty, J. Mol. Spectrosc. 191, 331-342 (1998)), it was possible to derive precise energy levels and Hamiltonian constants for the 4(1) vibrational states of both isotopic species. Copyright 2000 Academic Press.     

The 2(3)Delta(g) State of (7)Li(2)

Using pulsed perturbation-facilitated optical-optical double resonance (PFOODR) spectroscopy, the 2(3)Delta(g) state of (7)Li(2) (electronic configuration (varsigma(g)2s) (4ddelta(g)), effective principal quantum number n* = 4.101) has been observed and assigned. Molecular constants and a RKR potential energy curve were obtained. The major molecular constants are Copyright 2000 Academic Press.     

The Perturbation between the G(1)Pi(g) and 2(1)Delta(g) States of (7)Li(2)

We have observed the rotational levels in the v = 2, 3, 5, 6, 7, and 8 vibrational manifolds of the 2(1)Delta(g) state of (7)Li(2) via the A(1)Sigma(+)(u) intermediate levels by DeltaLambda = 2 transitions. This violation of the DeltaLambda = 0, +/-1 selection rule is due to the interaction with the G(1)Pi(g) state. Band-by-band deperturbations of the G(1)Pi(g) approximately 2(1)Delta(g) (v(Pi), v(Delta)) = (11, 2), (12, 3), (15, 5), (16, 6), (18, 7), and (19, 8) bands have been performed. Deperturbed molecular constants and rotational-electronic interaction parameters are reported here. Copyright 2000 Academic Press.     

Rovibrational Intensities of the (00(0)3) <-- (10(0)0) Dyad Absorption Bands of (12)C(16)O(2)

Absolute line intensities of (12)C(16)O(2) are experimentally measured for the first time for the (00(0)3)(I) <-- (10(0)0)(II) band at 5687.17 cm(-1) and the (00(0)3)(I) <-- (10(0)0)(I) band at 5584.39 cm(-1). The spectra were obtained using a Bomem DA8 Fourier transform spectrometer and a 25-m base-path White cell at NASA-Ames Research Center. The rotationless bandstrengths at a temperature of 296 K and the Herman-Wallis parameters are S(0)(vib) = 6.68(30) x 10(-25) cm(-1)/(molecule/cm(2)); A(1) = 1.4(9) x 10(-4), and A(2) = -1.1(5) x 10(-5) for the (00(0)3)(I) <-- (10(0)0)(II) band and S(0)(vib) = 6.07(22) x 10(-25) cm(-1)/(molecule/cm(2)); A(1) = 5.2(1.5) x 10(-4) and A(2) = -4.0(7) x 10(-5) for the (00(0)3)(I) <-- (10(0)0)(I) band.     

CO2同位素分子16O12C16O, 16O12C17O, 16O13C17O配分函数研究

本文主要研究了CO2的三种同位素分子16O12C16O , 16O12C17O ,16O13C17O 70 K~6000 K的总内配分函数 (TIPS)。在总内配分函数的计算中, 转动配分函数的计算采用了McDowell的解析式法, 振动配分函数则采用了简谐振动近似(HOA)获得。最后通过将两配分函数乘积近似计算得出TIPS, 并将其70~3000 K的数据和HITRAN04数据进行了比较, 发现所得结果和数据库符合的较好, 且其误差可以近似看成一条直线。并通过对误差的拟合修订了高温区(3000~6000 K)的计算数据, 给出了在高温下的较为准确的TIPS值。     

The v(1)+v(3) Bands of the (16)O(17)O(16)O and (16)O(16)O(17)O Isotopomers of Ozone

Using 0.002 cm(-1) resolution Fourier transform absorption spectra of an (17)O enriched ozone sample, an extensive analysis of the v(1)+v(3) bands of the (16)O(17)O(16)O and (16)O(16)O(17)O isotopomers of ozone has been performed for the first time. The experimental rotational levels of the (101) vibrational states were satisfactorily reproduced using a Hamiltonian matrix that takes into account the observed rovibrational resonances. More precisely, for (16)O(17)O(16)O, as for the other C(2v)-type ozone isotopomers, it was necessary to account for the Coriolis type resonances linking the (101) rotational levels with the levels of the (200) and (002) vibrational states and the Darling-Dennison interaction coupling the levels of (200) with those of (002). For the C(s)-type isotopomer, namely (16)O(16)O(17)O, as for (16)O(16)O(18)O and (16)O(18)O(18)O, it proved necessary to also account for an additional DeltaK(a)&equals+/-2 resonance involving the rotational levels from (101) and (002) (J.-M. Flaud and R. Bacis, Spectrochimica Acta Part A 54, 3-16 (1998)). Using a Hamiltonian matrix which takes these resonances explicitly into account, precise vibrational energies and rotational and coupling constants were deduced, leading to the following band centers: v(0)(v(1)+v(3))=2078.3496 cm(-1) for (16)O(17)O(16)O and v(0)(v(1)+v(3))=2098.8631 cm(-1) for (16)O(16)O(17)O. Copyright 2001 Academic Press.     

Magnetoelectric effects in multiferroic Y-type hexaferrites Ba_(0.3)Sr_(1.7)Co_xMg_(2-x)Fe_(12)O_(22)

Y-type hexaferrites with tunable conical magnetic structures are promising single-phase multiferroics that exhibit large magnetoelectric effects. We have investigated the influence of Co substitution on the magnetoelectric properties in the Y-type hexaferrites Ba(0.3)Sr(1.7)CoxMg(2-x)Fe(12)O(22)(x = 0.0, 0.4, 1.0, 1.6). The spin-induced electric polarization can be reversed by applying a low magnetic field for all the samples. The magnetoelectric phase diagrams of BaBa(0.3)Sr(1.7)CoxMg(2-x)Fe(12)O(22) are obtained based on the measurements of magnetic field dependence of dielectric constant at selected temperatures. It is found that the substitution of Co ions can preserve the ferroelectric phase up to a higher temperature, and thus is beneficial for achieving single-phase multiferroics at room temperature.