具有铁磁性Ising模型的磁性质

以Fe4N为原型,构建在晶场作用下的混自旋Ising模型。利用平均场理论,得到该模型的磁矩和自由能公式;绘制了不同相互作用下的磁化曲线;研究了系统的磁性质。发现系统发生了丰富的相变特性:系统存在一级有序-无序相变、重入现象和二级相变;晶场D_A/|J_1|和D_B/|J_1|对系统的磁性质所起作用相似。随着晶场的增加,一级有序-无序相变的温度升高,重入现象的温度降低;一级有序-无序相变和重入现象的温度间距逐渐缩小,直至这两种相变消失。     

铌镁酸铅类钙钛矿结构铁电多晶体的制备技术

铌镁酸铅(PMN)类化合物是一类弱铁电特性的ABO_3型复合钙钛矿结构铁电弛豫体。利用在A/B位固溶外来离子(例如,Sr、Ba和Ti等)的原理,改变该类化合物基固溶体的电负性差值φ和加权结构容差因子t值,达到合成全钙钛矿结构相的目的。根据电负性差值理论和钙钛矿结构容差因子理论,本文提出了铌镁酸铅类化合物钙钛矿结构相稳定性优值参数M的新概念。基于M值定义和PZN基固熔体的实验数据,推算出钙钛矿结构相稳定性临介优值Mc=1.67,并用以设计和优选PMN和PZN基多晶体最佳配方,优化材料性能。同时研究了钙钛矿结构相合成程度与MnO_2添加量和Mg偏离化学计量比程度的关系。研制出性能稳定、特性优良的新材料。     

当量成分AB和A_3B型合金有序─无序转变行为

利用EAM（EmbeddedAtomMethod）势基础上的等效原子模型分析了结构稳定性与长程有序度的关系，给出了二元体系结合能与长程有序度解析关系的一般表达式，说明当量成分下AB和A3B型合金有序无序转变行为的不同，并以NiAl和Ni3Al为研究对象具体研究了其有序无序转变，从理论上解释了这两种有序金属间化合物在实验中所表现出的不同有序无序转变行为特征．     

弛豫铁电多晶体的强场特性

本文介绍了弛豫铁电多晶体的研究、发展及其电致伸缩性质。论文中比较了三种典型铁电弛豫体:PMN—PT、PLZT和掺杂BT多晶材料的强电场特性。实验发现,当温度偏离T_(av)时,PLZT多晶体出现越来越强的电滞后现象,导致其微位移器件的回零复原温度特性变坏。用电学方法,在碱土金属离子B位掺杂的BT多晶体中可以观察到超顺电相的所谓微畴——宏观畴的场诱相变过程。作者指出,化学缺陷控制原理可用于调节电致伸缩材料的强场特性,控制器件的复原特性。     

Theoretical Analysis of Lattice Parameter Effect on Order-Disorder Transformation Based on Pair Potential

Based on pair potential, the Bragg Williams (B-W) model is modified to take into account the effect of the lattice parameter on theoretical order-disorder transformation analysis. The main purpose of this work is to understand the basic aspects of this effect and related reasonable model on order-disorder transformation. In the present approach, the configuration free energy is chosen as function of the lattice parameter and the long-range order.This energy is calculated through Taylor's expansion, starting from the disordered state. It was found that the configuration free energy has been strongly modified when the lattice parameter is taken into account. It was also found only one type of order-disorder transformation exists in AB alloy and three kinds of order-disorder transformations for non-equiatomic alloy system such as A₃B alloy. This result is in agreement with experiments.     

Hysteresis in the perception of motion direction as evidence for neural cooperativity

When elements of a parallel network, such as the human brain, are extensively interconnected, the network can exhibit 'cooperative behaviour'. Such behaviour, which is characterized by order-disorder transitions, multi-stable states, and a form of memory called 'hysteresis', has been observed in human stereopsis and has motivated models of stereopsis that incorporate cooperative networks. More recently, cooperative phenomena have also been observed in human visual motion perception. This report strongly supports a cooperative interpretation of motion perception by demonstrating hysteresis in the perception of motion direction. The results agree quantitatively with a mathematical model incorporating nonlinear excitatory and inhibitory interactions among direction-selective elements.     

高自旋横向Ising模型的基态磁性

采用相关有效场理论,对具有正方点阵结构的S=2横向Ising模型,推导出系统的磁矩公式,并利用数值计算方法得到了基态的磁化曲线。研究发现在基态下,系统随晶场或横场的变化产生了一级有序—有序相变、一级有序—无序相变及二级相变,二级相变普遍存在,一级相变只存在于狭窄的晶场和横场范围内。     

稳定性与长程有序度的关系

利用建立在对势基础上的原子模型分析了结构生与长程有序的关系，给出了二元体系结合能与有序度解析关系的一般表达工，得出有序结构必须满足ｎ≥ｎ１〉ｎＣＡ的条件，结果表明，同一合金体系中，Ｂ２结构本质上比ＬＩ２结构更难实现从有序向无序的转变．     

First-principles calculations of electronic structure and optical properties of strained Mg<Subscript>2</Subscript>Si

A detailed theoretical study on structural, electronic and optical properties of Mg2Si under the isotropic lattice deformation was performed based on the first-principles pseudopotential method. The results show that the isotropic lattice deformation results in a linear decrease in the energy gap for the direct Γ₁₅–Γ₁ and indirect Γ₁₅–L₁ transitions from 93% to 113%, while the indirect band gap Γ₁₅–X₁ increases from 93% to 104% and then reduces over 104%. When the crystal lattice is 93% compressed and 113% stretched, the magnesium silicide is a zero-gap semiconductor. Furthermore, the isotropic lattice deformation makes the dielectric function shift and the static dielectric constant change.     

非当量成分Ni_3Al基合金的有序─无序转变

利用建立在EAM（EmbeddedAtomMethod）势基础上的等效原子模型，计算了模拟非当量成分的Ni3Al基合金结构稳定性与长程有序（LRO）度的关系，结果说明：非当量成分下，Ni3Al基合金有序无序转变温度随Al含量的增加而上升；其有序无序转变为形核长大的非均匀转变过程，理论上不存在稳定的均匀部分有序结构；其介稳的部分状态组织为完全有序区和完全无序区的混合组织．该结果能解释实验中所观察到的Ni3Al基合金有序无序转变。     

人体抗寒机制及微观解释

本文从统计物理学角度用“有序化”和“熵”的概念解释了抗寒的微观机制,提出了“旋子模型”和“旋子流假说”,较科学地阐明了气功的外气现象;应用热辐射有关理论和生物物理学提出“皮肤温度下降”和“产热率提高”等基本观点,并以此作为抗寒理论的两个支撑点。根据上述论点,本文首次提出了两种生命过程(顺过程和逆过程),为人体身体素质的整体提高找到了某些理论依据。     

微晶粉粒铁电相变中的介电常数

提出了一个理论模型说明现行方法不能观察到微晶粉粒铁电相变介电峰的原因。按照理论预言 ,测量了钛酸锶钡粉料与水混合成两相不均匀系的相变介电峰 ,实验结果与理论公式符合得很好     

New high-pressure phases of lithium

Lithium is considered a 'simple' metal because, under ordinary conditions of pressure and temperature, the motion of conduction electrons is only weakly perturbed by interactions with the cubic lattice of atomic cores. It was recently predicted that at pressures below 100 GPa, dense Li may undergo several structural transitions, possibly leading to a 'paired-atom' phase with low symmetry and near-insulating properties. Here we report synchrotron X-ray diffraction measurements that confirm that Li undergoes pronounced structural changes under pressure. Near 39 GPa, the element transforms from a high-pressure face-centred-cubic phase, through an intermediate rhombohedral modification, to a cubic polymorph with 16 atoms per unit cell. This cubic phase has not been observed previously in any element; unusually, its calculated electronic density of states exhibits a pronounced semimetal-like minimum near the Fermi energy. We present total-energy calculations that provide theoretical support for the observed phase transition sequence. Our calculations indicate a large stability range of the 16-atom cubic phase relative to various other crystal structures tested here.     

Jamming by shear

A broad class of disordered materials including foams, glassy molecular systems, colloids and granular materials can form jammed states. A jammed system can resist small stresses without deforming irreversibly, whereas unjammed systems flow under any applied stresses. The broad applicability of the Liu-Nagel jamming concept has attracted intensive theoretical and modelling interest but has prompted less experimental effort. In the Liu-Nagel framework, jammed states of athermal systems exist only above a certain critical density. Although numerical simulations for particles that do not experience friction broadly support this idea, the nature of the jamming transition for frictional grains is less clear. Here we show that jamming of frictional, disk-shaped grains can be induced by the application of shear stress at densities lower than the critical value, at which isotropic (shear-free) jamming occurs. These jammed states have a much richer phenomenology than the isotropic jammed states: for small applied shear stresses, the states are fragile, with a strong force network that percolates only in one direction. A minimum shear stress is needed to create robust, shear-jammed states with a strong force network percolating in all directions. The transitions from unjammed to fragile states and from fragile to shear-jammed states are controlled by the fraction of force-bearing grains. The fractions at which these transitions occur are statistically independent of the density. Jammed states with densities lower than the critical value have an anisotropic fabric (contact network). The minimum anisotropy of shear-jammed states vanishes as the density approaches the critical value from below, in a manner reminiscent of an order-disorder transition.     

A first-order liquid-liquid phase transition in phosphorus

First-order structural phase transitions are common in crystalline solids, whereas first-order liquid-liquid phase transitions (that is, transitions between two distinct liquid forms with different density and entropy) are exceedingly rare in pure substances. But recent theoretical and experimental studies have shown evidence for such a transition in several materials, including supercooled water and liquid carbon. Here we report an in situ X-ray diffraction observation of a liquid-liquid transition in phosphorus, involving an abrupt, pressure-induced structural change between two distinct liquid forms. In addition to a known form of liquid phosphorus--a molecular liquid comprising tetrahedral P4 molecules--we have found a polymeric form at pressures above 1 GPa. Changing the pressure results in a reversible transformation from the low-pressure molecular form into the high-pressure polymeric form. The transformation is sharp and rapid, occurring within a few minutes over a pressure range of less than 0.02 GPa. During the transformation, the two forms of liquid coexist. These features are strongly suggestive of a first-order liquid-liquid phase transition.     

真空开关介质强度恢复的研究

电力系统的瞬态恢复电压对真空开关的介质强度恢复影响极大,根据是否考虑这一影响可把真空开关的介质恢复过程分为实际恢复过程和固有恢复过程。本文在相同的实验模型和电路参数下对这两种恢复过程作了比较性的实验研究。提出了“鞘层”与“金属蒸气”相结合的理论模型,并对相关的问题进行了讨论。     

介质阻挡放电击穿过程的研究

用磁流体力学方法分析介质阻挡放电的击穿过程，在仔细分析介质阻挡放电中微放电的性质和介质对放电的影响的基础上，建立了一个理论模型来模拟各种参量对放电的影响，并导出了一组方程以描述微放电中等离子体的电子浓度，电场强度，电流密度等微观参量的演化过程。导出了电子浓度，电场强度，电流密度与工作气体的性质及器件结构的关系，并与已有的实验结果进行了比较。     

氧化铜陶瓷的高介电性

采用固相反应法制备了氧化铜(CuO)陶瓷,得到不同频率下样品的介电随温度变化关系。通过X射线衍射图谱确定CuO陶瓷为单斜相结构,形成了粒径大约为150 nm的晶粒。假定晶粒为被绝缘晶界隔离的半导体,通过cole-cole图得到静态介电常数和高频介电常数,运用Arrhenius关系计算出激活能,进而利用Maxwell-Wagner机制进行理论拟合,与试验结果进行对比分析,表明CuO陶瓷晶粒在低频段、低温区时具有半导体性。