高压作用下相分离液体玻璃转变的分子动力学研究

采用分子动力学模拟方法,研究了二元混合液体在不同外压作用下的相分离与玻璃转变过程,计算了相分离液体在玻璃转变过程中的结构和动力学特征.研究发现,外压会促进相分离的产生,并提高玻璃转变温度,会使β弛豫出现的温度更高、存在的时间更长,导致系统扩散性降低.同时还发现,相分离液体的玻璃转变过程存在微观不均匀现象. 关键词： 相分离 玻璃转变 分子动力学模拟 外压影响     

原子尺寸对Lennard-Jones液体玻璃转变过程中动力学不均匀性的影响

采用分子动力学模拟技术,通过对非高斯参数α_2(t)、粘度η等动力学参数的计算探究了原子尺寸对Lennard-Jones(LJ)液体在玻璃转变过程中动力学不均匀性的影响.结果表明在玻璃转变温度T_g附近,原子尺寸越小,粘度值增加越显著,且粘度随温度的变化满足Vogel–Fulcher–Tammann (VFT)方程;β弛豫阶段的非高斯参数α_2(t)与时间的关系满足幂律函数,且随着原子尺寸的减小动力学不均匀性越来越明显.     

二元液体中动力学不均匀性与脆性的关系(英文)

过冷液体和玻璃有着复杂的结构和动力学性质.目前我们对他的研究是很不够的.当液体的温度远低于它的熔点时,它呈现非指数的驰豫行为.大量的实验和分子动力学模拟的研究表明这种非指数的驰豫行为是由动力学不均匀性引起的.计算机模拟已经提供了一些过冷液体的动力学不均匀性的相关信息.而Agell认为,液体可以粘度随温度的变化分为强,弱液体两种.脆性表示的是随着玻璃态的接近液体性质(如黏度)的改变速度.在这篇文章中我们通过模拟了三种不同二元Lennard-Jones液体,计算了它们的非高斯参数,脆性系数等一些参数,研究动了力学不均匀性和脆性的关系.得出了系统的脆性系数越小他的结构就越稳定,动力学不均匀性就越强的结论.     

关于单元体系Cu的玻璃转变过程中动力学不均匀性的研究

基于分子动力学模拟技术,采用非高斯参数α_2(t)来描述单元体系Cu的玻璃转变过程中动力学不均匀性的变化.研究表明在β弛豫阶段,非高斯参数α_2(t)随时间的变化满足幂律函数,而非高斯参数峰值α_(max)和β弛豫时间τ_β与温度的关系均符合Arrhenius函数,且温度越接近玻璃转变温度T_g,体系的动力学不均匀性越明显.     

二元Lennard-Jones液体的相分离过程及其扩散性质的分子动力学研究

采用分子动力学(MD)模拟方法,研究了二元体系中相分离过程、粒子的扩散系数以及相分离域尺寸大小随温度的变化规律.发现,相分离域随温度的生长过程可以分为两个阶段,分别是温度比较高的快速生长阶段和低温时的稳定生长阶段;相分离体系中系统的扩散激活能不是常数,而是一个随温度变化的函数,并且当温度高于60 K时,满足关系式E(T)=a+bT^c.讨论了组元尺寸的变化对相分离过程的影响.结果表明,随两组元中某一组元 关键词： 相分离 扩散 分子动力学模拟     

超导金属玻璃Zr78Co22的结晶化动力学研究

综合利用x射线小角散射、广角衍射、场离子显微镜等测量,并结合超导临界温度和显微硬度的观测,研究了金属玻璃Zr₇₈Co₂₂的结构及其结构弛豫和结晶化过程.结果表明,淬态金属玻璃Zr₇₈Co₂₂中存在明显的相分离,其中一个相的组分似乎趋向于纯Zr,另一相的组分则与ZO₄Co接近.在结构弛豫过程中,主要是拓扑短程序发生了变化,它受成核长大机理支配.当核的数量足够多时,两相均匀一致地长大. 关键词：     

关于单元体系Cu的玻璃转变过程中动力学不均匀性的研究

基于分子动力学模拟技术，采用非高斯参数α_2(t)来描述单元体系Cu的玻璃转变过程中动力学不均匀性的变化.研究表明在β弛豫阶段，非高斯参数α_2(t)随时间的变化满足幂律函数，而非高斯参数峰值α_(max)和β弛豫时间τ_β与温度的关系均符合Arrhenius函数，且温度越接近玻璃转变温度T_g，体系的动力学不均匀性越明显.     

基于LBM不均匀温度下气液两相分离模拟

本文研究了单组份两相流在不均匀温度条件下气液两相的分离，并做了均匀温度与不均匀温度条件下气液两相分离结果的对比。结果显示，在两相分离过程中，首先会出现小液滴，然后经过碰撞融合、液滴不断变形变得更大更圆，最终两相达到平衡。相比均匀温度而言，在不均匀温度条件下，液滴最大直径由37.5变成了116,液滴数量12个变成了6个，而且演化时间步长由68 500步缩短为34 000步，在不均匀温度条件下气液两相分离效果更好。     

磁通密度对第Ⅱ类超导体磁通动力学的影响

计算了二维无序钉扎系统中磁通运动的平均速度、微分电阻、纵向电压噪声和静态结构因子.通过在不同磁通密度下的磁通运动形式,给出了磁通运动的动力学相图.研究表明,磁通晶格存在钉扎相、塑性流相、近晶流相,和运动玻璃相.在运动玻璃相中,随着驱动力的进一步增加,横向玻璃态和运动Bragg玻璃态相继出现.磁通密度增大有利于有序相的出现.当磁通密度增大到一定程度时,近晶流动相会消失.磁通运动随着外加驱动电流增大发生从塑性流动相到运动玻璃相的转变 关键词： Ⅱ类超导体 磁通动力学 运动玻璃     

金属玻璃液体中的强脆转变现象

强脆转变是玻璃形成液体在从低温到高温升温过程中由强性液体转变为脆性液体的现象,反之从高温到低温冷却过程即为脆强转变.由于其意味着液体的结构发生了某种快速、非连续的变化,强脆转变现象成为异常动力学的典型代表.自1999年《Nature》杂志首次报道了水的强-脆转变现象之后,液体的强脆转变现象就作为凝聚态物理和材料科学领域中的前沿和热点问题被广泛关注.越来越多的研究表明,强脆转变现象在金属玻璃形成液体中普遍存在.为阐明金属玻璃强-脆转变现象对于深入理解玻璃转变本质、探讨液固遗传微观结构特征、揭示晶化过程相互竞争规律、提高玻璃形成能力、促进金属玻璃制备和处理工艺标准化等方面的重要意义,综合评述了强脆转变现象在金属玻璃形成液体中的普遍性、特殊性、定量表征、热力学表现以及结构起源等研究领域的最新进展,并指出了该领域今后的发展方向.     

Isospin fractionation: Equilibrium versus spinodal decomposition

This paper focuses on the isospin properties of the asymmetric nuclear-matter liquid–gas phase transition analyzed in a mean-field approach, using Skyrme effective interactions. We compare two different mechanisms of phase separation for low-density matter: equilibrium and spinodal decomposition. The isospin properties of the phases are deduced from the free-energy curvature, which contains information both on the average isospin content and on the system fluctuations. Some implications on experimentally accessible isospin observables are presented.     

Abrupt change of josephson plasma frequency at the phase boundary of the bragg glass in Bi(2)Sr(2)CaCu(2)O(8+delta)

We report the first detailed and quantitative study of the Josephson coupling energy in the vortex liquid, Bragg glass, and vortex glass phases of Bi(2)Sr(2)CaCu(2)O(8+delta) by the Josephson plasma resonance. The measurements revealed distinct features in the T and H dependencies of the plasma frequency omega(pl) for each of these three vortex phases. When going across either the Bragg-to-vortex glass or the Bragg-to-liquid transition line, omega(pl) shows a dramatic change. We provide a quantitative discussion on the properties of these phase transitions, including the first order nature of the Bragg-to-vortex glass transition.     

Heterogeneous diffusion in a reversible gel

We introduce a microscopically realistic model of a physical gel and use computer simulations to study its static and dynamic properties at thermal equilibrium. The phase diagram comprises a sol phase, a coexistence region ending at a critical point, a gelation line determined by geometric percolation, and an equilibrium gel phase unrelated to phase separation. The global structure of the gel is homogeneous, but the stress is only supported by a fractal network. The gel dynamics is highly heterogeneous and we propose a theoretical model to quantitatively describe dynamic heterogeneity in gels. We elucidate several differences between the dynamics of gels and that of glass formers.     

Effects of point defects on the phase diagram of vortex states in high- T(c) superconductors in the B parallel to c axis

The phase diagram for the vortex states of high- T(c) superconductors with point defects in the B--> parallel to c axis is drawn by large-scale Monte Carlo simulations. The vortex slush (VS) phase is found between the vortex glass (VG) and vortex liquid (VL) phases. The first-order transition between this novel normal phase and the VL phase is characterized by a sharp jump of the density of dislocations. The first-order transition between the Bragg glass (BG) and VG or VS phases is also clarified. These two transitions are compared with the melting transition between the BG and VL phases.     

Phase Separation in Poly(Methyl Methacrylate)-Epoxy Blend

Diglycidyl ether of bisphenol A (DGEBA) epoxy resin was modified with high molecular weight poly(methyl methacrylate) (PMMA). Morphological variations of a 2 wt% PMMA-modified epoxy mixture were studied by optical microscopy and scanning electron microscopy (SEM). A PMMA-epoxy blend cured at 100°C revealed that a secondary phase morphology was observed in both epoxy and PMMA phases from the early stages of the phase separation process. A morphology consisting of a rough striated continuous phase along with large smooth regions was observed by SEM, confirming the secondary phase separation. The dynamic mechanical thermal analysis showed that the PMMA modification of epoxy at such a low PMMA concentration of 2 wt% has no major influence on the glass transition temperature of the epoxy-rich phase. The PMMA-epoxy blend showed a slight increase in the flexural properties and the fracture toughness.     

Experimental investigation of adiabatic evaporation waves in superheated refrigerants

Propagation of adiabatic evaporation waves arising while refrigerants R-11 rapidly transit to metastable state due to depressurization in the rarefaction wave is experimentally investigated. New regularities of the interphase surface dynamics and the influence of interphase heat and mass transfer in propagation of adiabatic evaporation waves are obtained. It has been found that the phase transition in metastable liquid occurs in the conditions of developing multiscale turbulence in liquid and vapor phases under dynamic action of a vapor flow on the interphase surface and convective heat supply to the zone of high-intensity phase transition. The surface phase transition was visualized by a rapid video camera, its pulsating character is revealed and its properties are determined.     

Phase ordering induced by defects in chaotic bistable media

The phase ordering dynamics of coupled chaotic bistable maps on lattices with defects is investigated. The statistical properties of the system are characterized by means of the average normalized size of spatial domains of equivalent spin variables that define the phases. It is found that spatial defects can induce the formation of domains in bistable spatiotemporal systems. The minimum distance between defects acts as parameter for a transition from a homogeneous state to a heterogeneous regime where two phases coexist The critical exponent of this transition also exhibits a transition when the coupling is increased, indicating the presence of a new class of domain where both phases coexist forming a chessboard pattern.     

Solute redistribution profiles during rapid solidification of undercooled ternary Co-Cu-Pb alloy

The solute redistribution and phase separation of liquid ternary Co-35%Cu-32.5%Pb immiscible alloy have been investigated using glass fluxing method. A bulk undercooling of 125 K was achieved and the macrosegregation pattern was characterized by a top Co-rich zone and a bottom Cu-rich zone. The average solute contents of the two separated zones decreased with the increase of undercooling, except for the solute Pb in Cu-rich zone. With the enhancement of undercooling, a morphological transition from dendrites into equaxied grains occurred to the primary α(Co) phase in Co-rich zone. The solute redistribution of Cu in primary α(Co) phase was found to depend upon both the undercooling and composition of Co-rich zone. Stokes migration is shown to be the main dynamic mechanism of droplet movement during liquid phase separation.     

Mixing and condensation in a wet granular medium

We have studied the effect of small amounts of added liquid on the dynamic behavior of a granular system consisting of a mixture of glass beads of two different sizes. Segregation of the large beads to the top of the sample is found to depend in a nontrivial way on the liquid content. A transition to viscoplastic behavior occurs at a critical liquid content, which depends upon the bead size. We show that this transition can be interpreted as a condensation due to the hysteretic liquid bridge forces connecting the beads, and we provide the corresponding phase diagram.