镁-锌时效合金中一维过渡相β′2的晶体学研究

采用X射线衍射方法,显示出镁-5Wt％锌合金在165℃时效初期有两种过渡相β′₁和β′₂共存。对细杆状过渡相,β′₂的一维衍射现象进行了详细分析。这种过渡相具有六角点阵结构,其[0001]轴是杆的长轴,它的点阵常数及与母相间的取向关系经测定为:a_(β′2)=13.2?,c_(β′2)=5.25?,[0001]_{(β′2)关键词：}     

一种具有铁磁与反铁磁相互作用Ising模型的热力学性质

对最近邻自旋间具有反铁磁相互作用Ｊ_s，相隔偶数个自旋间又具有指数型长程铁磁相互作用Ｊ₁的一维Ｉｓｉｎｇ模型，利用积分方程的方法得出内能和比热的解析表达式。在Ｊ₁＝１，Ｊ_s分别为０．０５，０．１和０．３的条件下，作出零场时的内能和比热随温度参量变化的图形，并指出其相变临界点。在Ｊ₁＝１，Ｊ_s＝０．１的条件下，作出外磁场变化对内能和比热的影响图。鉴于系统在低温、零场或弱场以及较弱 关键词：     

一维量子sine-Gordon模型的元激发谱

应用自洽量子微扰理论研究了由参量α₀及β₀所描述的一维量子sine-Gordon模型的元激发谱，并通过玻色化技术将所得结果与Thirring模型及半满的Hubbard模型的严格解比较．研究结果表明，导出的元激发谱描述了量子孤子及反孤子的配对激发，而自洽场给出的能隙在α₀＜1及4π≤β²₀≤8π时与严格解的结果符合较好 关键词：     

Al3V化合物的内聚性质

用局域密度总能方法研究了两种不同(DO₂₂和L1₂)相结构Al₃V化合物的内聚性质。计算所得DO₂₂结构Al₃V化合物的点阵常数(a=3.72?,c=8.20?)与实验结果一致,体弹性模量(1.3Mbar)与Al₃Ti化合物的实验杨氏模最可相比较。计算所得生成热(29±1kcal/mol)与实验值(26.0kcal/mol)相符。 关键词：     

一维元胞自动机随机交通流模型的理论分析与计算机实验

在一维局部作用元胞自动机(CA)交通流模型中，引入刹车噪声与产生、消失概率，得到一个完全随机的CA交通流模型．利用平衡自旋理论对该模型的研究表明，当P_in＝P_out≠0时，初始密度分布不影响系统的最终状态，求得ρ_ｔ＝0.5；当满足条件P_in＋P_b＝1与P_in＝P_out时，得到简单的“线性”模型，该模型在条件｜1－2P_in｜＝1下，表现出长程相关，导致严重交通“阻塞”的出现．理论结果与计算机实验一致． 关键词：     

RbIO3-HIO3和CsIO3-HIO3两个赝二元系的研究

用X射线衍射及差热分析法研究了两系统的相平衡。确定了RbH₂(IO₃)₃的结构(三斜晶系,点阵常数:a=8.338?,b=8.244?,c=8.254?,α=60.66°,β=85.58°,γ=66.01°,z=2)。密度D_m=4.61g/cm³。CsIO₃-HIO₃系中有两个化合物:CsH(IO₃)₂(为质子导体)和3CsIO₃·17HIO₂。 关键词：     

扰动对一维局域模的影响

在紧束缚模型基础上，考虑到缺陷、温度、掺杂等外界因素的影响，用方形随机分布模拟了格点原子扰动对一维局域模的影响.给出了不同扰动参数σ下，孤子和极化子中各个局域模的变化情况.计算发现，由于孤子g₁模的钉扎效应，扰动后，弱模g₄定域性会得到加强，还会产生两个新定域模g′₁和g′₂，它们与相应的g₁和g₂模有相同的节点和宇称 ；极化子的g₇模在畸变较大时将 关键词： 扰动 局域模 聚合物     

非晶合金Pd80Si20晶化过程中的亚稳相

利用电子显微镜中的倾转晶体法确定了三个晶化相。亚稳相P₁具有简单正交点阵,点阵常数a=0.46,b=1.37,c=1.69nm,可能的空间群为P_nmm:或P_(nm21)。P₁相可用来解释Masumoto等人及Duhaj等人的电子衍射图。另一亚稳相F具有面心正交点阵,其a,b值与P₁相同,c=1.46nm。高温晶化相P₂具有简单正交点阵,点阵常数a=0.3 关键词：     

一个二维分段光滑映象中的边界激变

解析地讨论一个冲击振子模型中的边界激变特征,证明了这类分段光滑二维映象中激变的生 存时间标度律为τ-ε^-γ,而γ=ln|β₂|ln|β₁β2|(β₁,β₂分别是混沌吸引子吸引域边界上鞍点的不稳 定和稳定本征值),这与处处光滑二维映象中相应的规律完全不同. 关键词： 激变 分段光滑映象 生存时间标度律     

Li2K(IO3)3与Li2NH4(IO3)3的晶体结构

本文用X射线粉末法测定了Li₂K(IO₃)₃与Li₂NH₄(IO₃)₃的晶体结构和原子参数。发现Li₃K(IO₃)₃,Li₂NH₄(IO₃)₃与Li₂Rb(IO₃)₃同晶型,属单斜晶系,空间群为P2₁/α,每个单胞含有四个化合式量。室温的点阵常数分别为α=11.198?,b=11.046?,c=8.254?,β=111.53°,及α=11.327?,b=11.078?,c=8.341?,β=111.87°。讨论了二元化合物的形成与离子半径的关系。 关键词：     

Phase Diagram of One-Dimensional Bosons in an Array of Local Nonlinear Potentials at Zero Temperature

The Gaussian wave functional method is applied to a boson system with an array of local nonlinear potentials cos[βφ(nR)] to study the phase diagram of its ground state. The stable ground state is determined by the renormalized mass μ which is a function of the parameter γ=β²/4φ, the strength of potential α and the potential concentration c. In different cases γ<γ₁, γ₁<γ<γ₂ and γ>γ₂, μ can have different multiplicities, the phase diagram in parameter space is thus depicted. The value γ=γ₁ depends on the concentration c, for c→0, it coincides with that of the single impurity model; while γ₂=2 coincides with the conclusion of the continuous model.     

Ab-initio study of structural phase transitions and optoelectronic properties in BeH2 at increasing pressure

The structural stability, electronic and optical properties of BeH₂ under high pressure have been studied using the density functional theory (DFT) employing full potential-linearized augmented plane wave (FP-LAPW) method. The exchange correlation functional has been solved using the generalized gradient approximation. The calculations show that BeH₂ becomes unstable upon application of pressure. At a pressure of 29.40 GPa the ground state α-BeH₂ transforms to hypothetical phase β-BeH₂ and further at a pressure of 53.77 GPa (with respect to the ground state α-BeH₂) β-BeH₂ transforms to γ-BeH₂. In α-BeH₂ phase it remains as an insulator while in β-BeH₂ phase its behavior becomes metallic. But upon further increase in pressure it becomes a semiconductor in γ-BeH₂ phase. Hence the possibility of obtaining high-pressure phases with superconducting properties cannot be ruled out. There occurs a huge equilibrium volume collapse at α- to β-phase transition and relatively smaller volume changes at β- to γ-phase transition. Our obtained value of dielectric constant (3.0) for α-BeH₂ is in excellent agreement with earlier reported value (3.1). Also BeH₂ shows anisotropic behavior in all three studied phases.     

Phase transition and optoelectronic properties of MgH2

In this article, structural and electronic properties of MgH₂ have been studied. The aim behind this study was to find out the ground state crystal structure of MgH₂. For the purpose, density functional theory (DFT)-based full-potential linearized augmented plane wave (FP-LAPW) calculations have been performed in three different space groups: P4₂/mnm (α-MgH₂), Pa3 (β-MgH₂) and Pbcn (γ-MgH₂). It has been found that the ground state structure of MgH₂ is α-MgH₂. The present study shows that α-MgH₂ transforms into γ-MgH₂ at a pressure of 0.41 GPa. After further increase in pressure, γ-MgH₂ transforms into β-MgH₂ at a pressure of 3.67 GPa. The obtained results are in good agreement with previously reported experimental data. In all the studied phases, the behavior of MgH₂ is insulating and its optical conductivity is around 6.0 eV. The α-MgH₂ and γ-MgH₂ are anisotropic materials while β-MgH₂ is isotropic in nature.     

Mn-Ga二元系的X射线研究

本文从44个缓冷和淬炼Mn-Ga合金摄取了德拜·谢乐照相,并配合了在富Ga部分的差热分析,初步画出了这个系统的相图。这个系统除纯Ga外共有十个相。Mn在Ga中的固溶度是几乎无可觉察的。α相是Ga在α-Mn中的原固溶体,在室温的固溶度为1.95at％Ga。β相在室温的均匀范围为8.6—19.2at％Ga,这是β-Mn结构,因此可看作是β-Mn的固溶体,由于Ga原子无规地替代了部分Mn原子而这个结构得在室温稳定存在。γ相可分成γ₁,γ₂,γ₃,三部分,γ₁是面心立方结构,γ₂是面心四方结构,γ₃是有序的面心四方结构,与Cu-Au系中的CuAuⅠ同型。在室温下稳定的是γ₃,均匀范围为37—45at％Ga,而在高温稳定的却总是γ₁。从γ₁变到γ₂,再从γ₂变到γ₃的变化是二级相变。有序度随Ga含量的递增而递增,随温度的递升而递降。整个γ相可看作是γ-Mn的固溶体,γ-Mn本身是不可能用淬炼的办法在室温获得的。δ相只存在于高温,可看作是δ-Mn的固溶体。由于Ga原子替代了部分Mn原子,因而δ一Mn结构产生了畸变而有序化。ε相是有序的六角密堆积结构,每个晶胞含8个原子,它是在约820℃从γ相同成份地转变而成的,在室温的均匀范围估计为27一30at％Ga。η相在室温约50—60at％Ga处有一宽广的均匀范围。从520到600℃,它经历一多型性变化,转变为λ相。λ相的相区随温度的递升而向富Mn的一边偏移。η和λ结构都很复杂。在富Ga的一边,存在着三个居间相χ,φ和ω,它们是由包析或包晶反应所形成的。ω相的化合式很可能相当于Mn₂Ga₉或MnGa₅,而φ相则与NiHg₄同型,在Mn_2.3Ga_7.7左右有一狭隘的均匀范围。在室温稳定存在的七个居间相中,β,ε,γ₃,X和φ是铁磁性的。铁磁性最强的是Ga含量较富的γ₃和φ相。我们测量了其中若干合金的饱和磁化强度与居里温度。 关键词：     

四态叠加多模光场的等幂次N次方H压缩

根据量子力学中的线性叠加原理,构造了由奇、偶相干态光场所组成的一种新型的四态叠加多模叠加态光场|Ψ_o,e⁽⁴⁾Ⅲ〉_q.它是由多模虚奇相干态和多模虚偶相干态这两者的线性叠加所组成的.利用多模压缩态理论详细研究了态|Ψ_o,e⁽⁴⁾Ⅲ〉_q的等幂次N次方H压缩特性.结果发现:当腔模总数q与压缩次数N的乘积为奇数时,若各模初始相位和qj＝1φ_j、态间叠加几率幅γ_o、γ_e以及态间相位差θ_e-θ_o等相关参量满足一定的不同条件时,态|Ψ_o,e⁽⁴⁾Ⅲ〉_q可分别呈现以下非经典效应:i)等幂次N次方H压缩;ii)"半相干态"效应.     

Al-Cr-Cu三元合金系相图的室温截面

本文用X射线粉末衍射法研究了Al-Cr-Cu三元合金系相图的室温截面。截面中出现了五个新相,称为ω₁,ω₂,ε_f,ε_x和γ_x,即共有19个单相区,41个双相区以及22个三相区。γ_x相属正交晶系,它可能是一个固定成分的化合物。 关键词：     

Ce2Fe16Al化合物在居里温度附近的磁性和磁熵变

研究了具有菱方Th2Zn17型结构的Ce2Fe16Al化合物在居里温度TC附近的磁性和磁熵变.实验结果表明，在居里温度附近样品的磁特性符合二级相变规律，样品的居里温度为2758K.通过磁化强度与磁场和温度关系的测量，计算出临界指数β=044±001，γ=130±001，δ＝383±001，临界指数β，γ，δ基本满足标度率方程γ＝β（δ-1)，但偏离三维Heisenberg模型的理论值.Ce2Fe16Al化合物的磁熵变在居里温度处达到峰值，2T外磁场下的最大磁熵变为195J/kg K. 关键词： Ce2Fe16Al化合物 临界指数 磁熵变     

埃洛石的Birch-Murnaghan状态方程和高压物性

 用欧拉有限应变理论分析了埃洛石的冲击Hugoniot实验数据,得到了其低压相和高压相的等熵体积模量K_0S及其对压力的一阶导数K′_0S。对低压相,在γ＝0.43(ρ₀/ρ)时,K_0S＝32.16 GPa,K′_0S＝7.17;对高压相,在γ＝1.0(ρ₀/ρ)^1.5、且相变能各取579.1 J/g（常压下的值）和1 000 J/g时,K_0S、K′_0S分别为103.28 GPa 、4.97和95.85 GPa、5.35。根据高压下物性参数的跃变,讨论并分析了其各个相区物质组成的差异。     

Magnetic properties of doped GdI2

Motivated by the recent experimental studies on layered ferromagnetic metallic system GdI₂  and its doped variant GdI₂H_x we develop a model to understand their ground state magnetic phase diagram. Based on first principle electronic structure calculations we write down a phenomenological model and solve it under certain approximations to obtain the ground state energy. In the process we work out the phase diagram of the correlated double exchange model on a triangular lattice for the specific band structure at hand.     

Jordan-Wigner approach to the frustrated spin one-half XXZ chain

The Jordan-Wigner transformation is applied to study the ground state properties and dimerization transition in the J₁-J₂ XXZ chain. We consider different solutions of the mean-field approximation for the transformed Hamiltonian. Ground state energy and the static structure factor are compared with complementary exact diagonalization and good agreement is found near the limit of the Majumdar-Ghosh model. Furthermore, the ground state phase diagram is discussed within the mean-field theory. In particular, we show that an incommensurate ground state is absent for large J₂ in a fully self-consistent mean-field analysis.