Ⅱ类超导体相变特征热力学探析

本文 以 Ⅱ类超导体 Ａｂｒｉｋｏｓｏｖ磁通结构理论为依据,采用典型的热力学方法,论证了 Ⅱ类超导体在 Ｈｃ１相变点由 Ｍｅｉｓｓｎｅｒ态到低场混合态的相变,以及在 Ｈｃ２相变点由高场混合态到正常态的相变性质．我们的论证结果表明：Ⅱ类超导体在Ｈｅ相交点与Ｈｅ相变点的相变均为二级相变,两相的比热差方程直接依赖相平衡曲线关系,且理论值与实验值比较的一致性约为９０％．１引言 Ｉ类超导体的热力学一级相变理论已被大家所熟知,相比之下,Ⅱ类超导体热力学相变理论还有待于进一步发展与完善．曾在六十年代, Ｍｏｒｉｎ等人…     

拓扑激发驱动的热力学相变及其张量网络研究方法

对热力学相及相变的认知构成了我们理解整个物质世界的物理基础,从朗道对称破缺相变范式到拓扑激发驱动的热力学相变,相变理论的研究发展在物质科学进步之路上树立起了一座座丰碑.一个著名的例子就是Berezinskii-Kosterlitz-Thouless相变,它是在从低温到高温的演变过程中, U(1)旋转对称性没有自发破缺情形下,成对涡旋的解耦合所致.近期,人们利用张量网络表示理论和数值计算方法,将统计模型的转移矩阵对应为一维量子模型.再根据量子模型纠缠熵的奇异性,在热力学极限下可以精确确定系统的相图,并准确计算各种物理量,该研究方法为研究具有连续对称性的二维系统的拓扑相变注入了新活力.     

热力学的拉格朗日函数

Ｐｌａｎｃｋ和Ｐａｕｌｉ提出了相对论热力学Ｌａｇｅａｎｇｅ函数的一促形式,本文表明：在不同的约束条件下,Ｌａｇｒａｎｇｅ函数的形式是不同的,它可以分别是内能、焓、Ｈｅｌｍｈｏｌｔｚ自由能、Ｇｉｂｂｓ函数、巨势等和负值;文中对该函数的相对论变换性质也进行了讨论。     

纳米晶粒在高压下的相变

文章报道了纳米晶粒的晶粒尺寸对压力诱导相变的影响的最新研究进展．采用热力学理论揭示了纳米晶体材料的相变压力与同种大块材料不同的主要因素是体积变化率、表面能差和内能差．通过估算这3个因素的具体大小，可解释文献中报道的实验结果，并且可以确定同种大块材料和纳米晶体材料之间的相变压力发生差异的控制因素．在纳米晶体材料中，晶粒尺寸对结构稳定性和相变压力的影响与体系本身有关．     

纳米晶粒在高压下的相变

文章报道了纳米晶粒的晶粒尺寸对压力诱导相变的影响的最新研究进展.采用热力学理论揭示了纳米晶体材料的相变压力与同种大块材料不同的主要因素是体积变化率、表面能差和内能差.通过估算这3个因素的具体大小,可解释文献中报道的实验结果,并且可以确定同种大块材料和纳米晶体材料之间的相变压力发生差异的控制因素.在纳米晶体材料中,晶粒尺寸对结构稳定性和相变压力的影响与体系本身有关.     

金属纳米晶体的界面热力学特性

根据准协德拜近似从理论上计算了金属纳米晶体的界面热力学特性,包括界面过剩能、过剩焓、过剩熵、过剩Gibbs自由能等,着重讨论了界面过剩热力学参量与界面过剩体积和温度的关系.一些实验测量结果表明,理论计算与实验结果基本相符. 关键词：     

PuN基态分子势能函数与热力学函数的理论计算

在Pu的相对论有效原子实势近似和N原子 6 - 311G 全电子基函数下 ,用密度泛函B3LYP方法计算得到PuN分子基态X6Σ+ 的结构与势能函数、力常数与光谱数据 .同时计算得到PuN(g)分子在 2 98K时的标准生成热力学函数ΔfH0 、ΔS0 和ΔfG0 ,分别为 - 4 87.2 39kJ/mol、95 .345J/molK和 - 5 15 .6 6 6 1kJ/mol.     

论Gibbs方程的热力学本性及热力学函数的物理意义

对Gibbs方程的热力学本性作了再认识,论述了热力学函数U、H、A、G的物理意义,尝试从一般的运动和势能的关系上理解热力学．     

Size dependence of phase transition temperatures of ferromagnetic ,ferroelectric and superconductive nanocrystals

With the miniaturization of devices, size and interface effects become increasingly important for the properties and performances of nanomaterials. Here, we present a thermodynamic approach to the mechanism behind size-induced unusual behavior in the phase stabilities of ferromagnetic (FM), antiferromagnetic (AFM), ferroelectric (FE), and superconductive (SC) nanocrystals, which are different dramatically from their bulk counterparts. This method is based on the Lindemann criterion for melting, Mott’s expression for the vibrational melting entropy, and the Shi model for the size-dependent melting temperature. Simple and unified functions, without any adjustable parameter, are established for the size and interface dependences of thermal and phase stabilities of FM, AFM, FE and SC nanocrystals. According to these analytic functions, as the size of nanocrystals is reduced, the thermal and phase stabilities may strengthen or weaken, depending on the confluence of the surface/volume ratio of nanocrystals and the FM(AFM, FE or SC)/substrate interface situations. The validity of this model is confirmed by a large number of experimental results. This theory will be significant for the choice of materials and the design of devices for practical application.      

The kinetics of diffusive phase transformations in the light of trans-interface diffusion

A variety of models with detailed coupling of thermodynamics and kinetics at a migrating interface has been developed for simulating diffusive phase transformations. A classification of such models is possible by the way the processes associated with the migrating interface are treated. In case of sharp interface models, the interfacial processes are assumed to be fast enough to not influence overall phase transformation kinetics (i.e. local equilibrium holds), or an effective mobility is attributed to the interface, which is also known as mixed-mode approach. In case of models treating an interface with finite thickness, the kinetic processes inside the interface are described in detail. In this work, a quasi-sharp interface model is analysed using the thermodynamic extremal principle. By this procedure, the implicit assumptions behind the modelling approach are revealed, and the evolution equations are derived. By means of a thick interface model, the contact conditions at both sides of a migrating interface are calculated, and the driving forces for interface migration and trans-interface diffusion are obtained. Based on these driving forces, the quasi-sharp interface model is evaluated and an effective interface diffusion coefficient is calculated.     

非对易相空间中谐振子体系热力学性质的探讨

2000年以来, 有关非对易空间的各种物理问题一直是研究的热点, 并在量子力学、场论、凝聚态物理、天体物理等各领域中已被广泛地探讨. 采用统计物理方法讨论非对易效应对谐振子体系热力学性质的影响. 先以对易相空间中确定二维和三维谐振子的配分函数求出谐振子体系的热力学函数; 非对易相空间中的坐标和动量通过坐标-坐标和动量-动量之间的线性变换而以对易相空间中的坐标和动量来表示; 最终以非对易相空间中求出配分函数来讨论非对易效应对谐振子体系热力学性质的影响. 结果显示, 在非对易相空间中谐振子体系的配分函数和熵表达式均包含因非对易引起的修正项. 从分析结果得出如下结论: 非对易效应对谐振子的配分函数和熵函数等微观状态函数有一定的影响, 但对谐振子体系的内能、热容量等宏观热力学函数没有影响. 研究结果只是对应于满足玻尔兹曼统计的经典体系, 对于满足费米-狄拉克和玻色-爱因斯坦统计的量子体系需进一步推广研究.     

Analytic phase structures and thermodynamic curvature for the charged AdS black hole in alternative phase space

In this paper, we visit the thermodynamic criticality and thermodynamic curvature of the charged AdS black hole in a new phase space. It is shown that when the square of the total charge of the charged black hole is considered as a thermodynamic quantity, the charged AdS black hole also admits a van der Waals-type critical behavior without the help of thermodynamic pressure and thermodynamic volume. Based on this, we study the fine phase structures of the charged AdS black hole with fixed AdS background in the new framework. On the one hand, we give the phase diagram structures of the charged AdS black hole accurately and analytically, which fills up the gap in dealing with the phase transition of the charged AdS black holes by taking the square of the charge as a thermodynamic quantity. On the other hand, we analyse the thermodynamic curvature of the black hole in two coordinate spaces. The thermodynamic curvatures obtained in two different coordinate spaces are equivalent to each other and are also positive. Based on an empirical conclusion under the framework of thermodynamic geometry, we speculate that when the square of charge is treated as an independent thermodynamic quantity, the charged AdS black hole is likely to present a repulsive between its molecules. More importantly, based on the thermodynamic curvature, we obtain a universal exponent at the critical point of phase transition.     

关于二级相变中热力学物理量突变的分析与自旋链模拟

理论上对二级相变中热容、体膨胀系数、等温压缩系数三个热力学物理量的变化进行了分析,进而使用自旋链模型的基态能量和von Neumann熵随模型参数变化的突变行为对二级相变中这三个物理量的变化所引起的系统序变进行模拟,得到二级相变中热容、体膨胀系数、等温压缩系数的变化是由于系统内部微观上发生关联序变的结果。     

Study of phase transformations in CMSX-6 and CMSX-8 superalloys

Nickel-based superalloys are extensively used mainly in the aircraft and aeronautic industry, particularly in the hottest parts of engines or turbo-reactors. The phase reactions occurring in these heat-resistant materials play a crucial role in many aspects of the processing and service of the highly alloyed materials. Cast Ni-based superalloys are obtained in a complex way and their structure is complicated. Differential scanning calorimetry (DSC) technique was applied for determination of temperature ranges of the phase transformations occurring in the CMSX-6 and CMSX-8 superalloys during heating/cooling processes. Thermophysical properties, including temperatures of the phase transformation, are the critical input parameters in mathematical models of solidification and casting of metallic materials. The literature data concerning phase transformations and performance of the heat treatment for CMSX-6 and CMSX-8 are incomplete and ambiguous. DSC results accompanied by scanning electron microscopy characterization of microstructure of CMSX-6 and CMSX-8 superalloy was applied. The present study will improve the understanding of the fundamental mechanisms of phase transformations of single-crystal nickel-based superalloys.     

Maps of intervals with indifferent fixed points: Thermodynamic formalism and phase transitions

We develop the thermodynamic formalism for a large class of maps of the interval with indifferent fixed points. For such systems the formalism yields onedimensional systems with many-body infinite-range interactions for which the thermodynamics is well defined but Gibbs states are not. (Piecewise linear systems of this kind yield the soluble, in a sense, Fisher models.) We prove that such systems exhibit phase transitions, the order of which depends on the behavior at the indifferent fixed points. We obtain the critical exponent describing the singularity of the pressure and analyze the decay of correlations of the equilibrium states at all temperatures. Our technique relies on establishing and exploiting a relation between the transfer operators of the original map and its suitable (expanding) induced version. The technique allows one also to obtain a version of the Bowen-Ruelle formula for the Hausdorff dimension of repellers for maps with indifferent fixed points, and to generalize Fisher results to some nonsoluble models.Meyerhoff Visiting Professor, on leave from the Center for Transport Theory and Mathematical Physics, Virginia Polytechnic Institute and State University, Blacksburg, Virginia 24061.     

铁冲击相变的分子动力学研究

用分子动力学方法模拟了单晶铁(Fe)在一定初始温度下冲击相变(α相→ε相)的微观过程，结果显示温度会导致冲击相变压力阈值降低.基于此微观过程，对加卸载波系的传播规律进行了相应计算和分析，结果表明在卸载过程中逆相变波(ε相→α相)相对于波前以当地纵波声速传播，而相对波后以亚声速传播，这可由卸载压力-密度曲线给出相应解释；计算了不同初态的卸载压力-密度状态曲线，并给出了逆相变带的分布，其分布规律显示了卸载过程逆相变的滞后现象. 关键词： 分子动力学 多体势 冲击波 相变     

Surface effect of nanocrystals doped with rare earth ions enriched on surface and its application in upconversion luminescence

By employing a certain proportion of hydrogen peroxide, ammonia, ammonium fluoride, and ethylene diamine tetraacetic acid (EDTA) as precipitator, well-crystallized LaOF:Eu3+ and LaOF:Yb3+, Er3+ nanocrystals are synthe- sized by using the chemical co-precipitation method. The structural properties of these samples are characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), and Fourier transform infrared spectroscopy (FTIR) spectra. The results show that all the samples have an average size below 70 nm, which decreases gradually with the increase of the EDTA content, and a certain number of EDTA molecules are coupled with doped ions on the surfaces of nanocrystals. Most of the doped ions are proved to be enriched on the surfaces of nanocrystals and surrounded by the high energy vibration groups and bonds in EDTA molecules. The observed differences in upconversion emission spectrum among the different LaOF:Yb3+, Er3+ nanocrystals are explained by the different two-photon upconversion mechanisms. Especially, in the LaOF:Yb3+, Er3+ nanocrystals with EDTA, the two-photon processes that contain several special cross-relaxation processes are introduced to analyse the corresponding upconversion mechanisms.     

Thermodynamic calculation of spin scaling functions

Critical phenomena theory centers on the scaled thermodynamic potential per spin $?(\beta ,h)=|t{|}^{p}Y(h|t{|}^{?q})$, with inverse temperature $\beta =1/T$, $h=?\beta H$, ordering field H, reduced temperature $t=t(\beta )$, critical exponents p and q, and function $Y(z)$ of $z=h|t{|}^{?q}$. I discuss calculating $Y(z)$ with the information geometry of thermodynamics. Scaled solutions are found to obtain with three admissible functions $t(\beta )$: 1) $t=e^{?J\beta }$, 2) $t={\beta }^{?1}$, and 3) $t={\beta }_C?\beta$, where J and ${\beta }_C$ are constants. For $p=q$, information geometry yields $Y(z)=\sqrt{1+z^2}$, consistent with the one-dimensional (1D) ferromagnetic Ising model.