晶体相场法研究预变形对熔点附近六角相/正方相相变的影响

应用双模晶体相场模型计算二维相图,并模拟了在熔点附近预变形和保温温度对六角相晶界演化以及六角相/正方相相变的影响.研究发现:在相变初期,当预变形为零、保温温度离熔点很近时在晶界发生缺陷诱发预熔;增大预变形,变形与缺陷的交互作用在熔点附近诱发预熔;随着预变形的进一步增大,变形在畸变处同时诱发液相和正方相,且预变形越大、保温温度越接近熔点,液相生长越明显,反之正方相生长明显.持续保温使得畸变能释放,晶粒最终完全转变为平衡正方相.模拟结果表明:预变形六角相在熔点附近保温时,由于晶界固有缺陷和预变形双重作用使得原子无序度增加,从而在晶界或其他缺陷处产生液相,待能量释放后晶粒再转变成平衡正方相,进而延缓了六角相/正方相相变时间.     

Dynamical quantum phase transition in XY chains with the Dzyaloshinskii-Moriya and XZY-YZX three-site interactions

We study the dynamical quantum phase transitions (DQPTs) in the $XY$ chains with the Dzyaloshinskii-Moriya interaction and the $XZY$-$YZX$ type of three-site interaction after a sudden quench. Both the models can be mapped to the spinless free fermion models by the Jordan-Wigner and Bogoliubov transformations with the form $H=\sum_{k}ǎrepsilon_{k}(\eta^{†}_{k}\eta_{k}-\frac{1}{2})$, where the quasiparticle excitation spectra $ǎrepsilon_{k}$ may be smaller than 0 for some $k$ and are asymmetrical ($ǎrepsilon_{k}\neqǎrepsilon_{-k}$). It is found that the factors of Loschmidt echo equal 1 for some $k$ corresponding to the quasiparticle excitation spectra of the pre-quench Hamiltonian satisfying $ǎrepsilon_{k}\cdotǎrepsilon_{-k}<0$, when the quench is from the gapless phase. By considering the quench from different ground states, we obtain the conditions for the occurrence of DQPTs for the general $XY$ chains with gapless phase, and find that the DQPTs may not occur in the quench across the quantum phase transitions regardless of whether the quench is from the gapless phase to gapped phase or from the gapped phase to gapless phase. This is different from the DQPTs in the case of quench from the gapped phase to gapped phase, in which the DQPTs will always appear. Moreover, we analyze the different reasons for the absence of DQPTs in the quench from the gapless phase and the gapped phase. The conclusion can also be extended to the general quantum spin chains.     

X-ray diffraction study of phase transition of ferroelectric liquid crystal DOBAMBC

Cu₆PS₅Br superionic crystals were implanted by sulphur ions. The effect of ion implantation on the phase transition (PT) temperatures in Cu₆PS₅Br is observed from isoabsorption studies of the optical absorption edge. The dependences of the ferroelastic PT temperature on the ion fluence are analysed.     

Atomistic simulation of fcc-bcc phase transition in single crystal Al under uniform compression

By molecular dynamics simulations employing an embedded atom model potential,we investigate the fcc-to-bcc phase transition in single crystal Al,caused by uniform compression.Results show that the fcc structure is unstable when the pressure is over 250 GPa,in reasonable agreement with the calculated value through the density functional theory.The morphology evolution of the structural transition and the corresponding transition mechanism are analysed in detail.The bcc (011) planes are transited from the fcc (11) plane and the (11) plane.We suggest that the transition mechanism consists mainly of compression,shear,slid and rotation of the lattice.In addition,our radial distribution function analysis explicitly indicates the phase transition of Al from fcc phase to bcc structure.     

TTF-TCNQ的Peierls相变研究

根据建立在电子-声子相互作用基础上的Peierls相变理论，利用形变势模型和半经验晶体轨道方法计算的能带结构数据，对一维有机导体TTF-TCNQ的Peierls相变温度进行了计算，结果表明,TTF链的相变温度低于TCNQ链的相变温度，从而说明前者的电子-声子耦合相互作用比后者要弱,TTF-TCNQ在54K的金属-绝缘体相变主要发生在TCNQ链上. 关键词： 一维有机导体 Peierls相变温度 电子-声子相互作用     

Atomistic simulation of fccben bcc phase transition in single crystal Al under uniform compression

By molecular dynamics simulations employing an embedded atom model potential, we investigate the fcc-to-bcc phase transition in single crystal Al, caused by uniform compression. Results show that the fcc structure is unstable when the pressure is over 250 GPa, in reasonable agreement with the calculated value through the density functional theory. The morphology evolution of the structural transition and the corresponding transition mechanism are analysed in detail. The bcc (011) planes are transited from the fcc (111) plane and the (111) plane. We suggest that the transition mechanism consists mainly of compression, shear, slid and rotation of the lattice. In addition, our radial distribution function analysis explicitly indicates the phase transition of Al from fcc phase to bcc structure.     

Determination of the liquid crystals phase transition temperatures using optical rotation effect

Using optical rotation effect, a sensitive, simple optical analytical system is developed for determining the phase transition temperatures of liquid crystals (LCs). When a monochromatic polarized light passes through LCs sample and analyzer, the light intensity changes with temperature. Especially, during the phase transition process, the intensity varies greatly due to optical rotation effect. The variation of light intensity versus variation of temperature curve shows the phase transition temperatures of LCs clearly. The phase transition temperatures of three cholesteric liquid crystals (ChLCs) and a nematic liquid crystals (NLCs) were detected by this method, and compared with those of the differential scanning calorimetry (DSC) and polarized light microscope (PLM) methods.     

Nuclear magnetic resonance study of the smectic-cholesteric phase transition in a dimesogenic liquid crystal

Nuclear magnetic resonance (NMR) spectroscopy has provided a unique opportunity to study the characteristic smectic-A to chiral nematic phase transition in a dimesogenic liquid crystal (“KI-5S”). The order parameters in the liquid crystalline phases were obtained from the ²H NMR quadrupole splitting and ¹³C NMR chemical shift measurements, manifesting a first-order smectic-nematic phase transition.     

外延铁电薄膜相变温度的尺寸效应

考虑外延钙钛矿型铁电薄膜内的等效应力、表面晶格变化和表面电荷引起的退极化效应等机电耦合边界条件,利用铁电薄膜系统的动态金茨堡-朗道方程(DGL),系统分析和讨论了外延铁电薄膜相变温度与临界相变厚度的尺寸效应.结果表明,铁电薄膜相变温度与临界相变厚度完全依赖于各种与薄膜厚度相关的力电耦合边界条件.也给出了BaTiO₃外延铁电薄膜相变温度在各种边界条件下随厚度的变化,从结果看出,本文的分析与结论更符合实验数据. 关键词： 尺寸效应 外延铁电薄膜 相变温度 力电耦合边界     

一维颗粒声子晶体的拓扑相变及可调界面态

基于Su-Schrieffer-Heeger模型,构造了一种一维非线性声子晶体,通过调控外加在声子晶体上的预紧力,可调控声子晶体的拓扑态,从而实现拓扑相变.利用这一效应,把该非线性声子晶体与另一线性声子晶体形成异质结构,可以实现一种新型声学开关:通过调节预紧力即调控非线性声子晶体的拓扑相,可以实现异质结构中界面态从无到有的转变,从而实现了开关效应.利用该效应可望开发新型声学器件,如可调谐振器、可调滤波器、可调隔振器等.     

The S-D transition and high-pressure phase stability of transition metals

Abstract

The recent discovery of a solid-solid phase change in shock-compressed Mo and the theoretical interpretation suggest valence d-electron density as a major influence on structural stability. The relationship of this experimental result to the transition metal structures and alloy phase diagrams will be discussed. Specific predictions will be presented for the locations and slopes of transition metal and transition metal alloy phase boundaries.     

一维有机导体的Peierls相变研究

根据建立在电子-声子相互作用基础上的Peierls 相变理论，利用形变势模型和半经验晶体轨道方法计算的能带结构数据，对一维有机导体tetrathiafulvalene-tetracyanoquinodimethane的Peierls相变温度进行了计算.并对其金属-绝缘体相变机制进行了讨论. 关键词： 电子-声子相互作用 Peierls相变温度 一维有机导体     

The vibration spectrum and high temperature phase transition of NaBF_4 single crystal

The polarized Raman spectrum of NaBF_4 single crystal measured by use of different geometric arrangements are reported. The obvious anisotropy of the crystal results in the degradation of degenerated modes of BF_4. Experiments show that the vibration frequencies decrease with the increasing of temperature. But when it above the phase transition point the v_1 symmetric stretching vibration is restored. From this, the phase transition temperature can be estimated to be 250℃ (523K).     

X-ray diffraction study of effect of deposition conditions on α--β phase transition and stress evolution in sputter-deposited W coatings

Pure W and W-Cu-W trilayer coatings were deposited on an Fe substrate by d.c. magnetron sputtering. The α-β phase evolution, intragranular stress evolution in sputter-deposited W layer were investigated by x-ray diffraction. They are directly related to the film microstructure, density and adhesion. Therefore, control of the film stress and phase component transition is essential for its applications. The phase component transition from β-W to α-W and intragranular stress evolution from tensile to compressive strongly depend on the deposition parameters and can be induced by lowering Ar pressure and rising target power. The compressively stressed films with α-W phase have a dense microstructure and high adhesion to Fe substrate.     

Novel approach to study liquid crystal phase transitions using Legendre moments

A novel approach is proposed to investigate the phase transitions of cholesteric liquid crystals using the Legendre moments. The textures of cholesteric liquid crystals (cholesteryl butyrate, cholesteryl n-valerate, cholesteryl decanoate, and cholesteryl myristate) are captured as a function of temperature using high-resolution camera attached to the arthroscopic mode of polarizing optical microscope with hot stage. A recurrence formula is used to compute the Legendre moments of the liquid crystal textures based on the Legendre polynomial using MATLAB software. The abrupt change in the values of Legendre moments as a function of temperature gives the phase transitions of liquid crystals. The investigated transition temperatures of cholesteric liquid crystals are compared with other techniques.     

Topological phase transition in cavity optomechanical system with periodical modulation

We investigate the topological phase transition and the enhanced topological effect in a cavity optomechanical system with periodical modulation. By calculating the steady-state equations of the system, the steady-state conditions of cavity fields and the restricted conditions of effective optomechanical couplings are demonstrated. It is found that the cavity optomechanical system can be modulated to different topological Su-Schrieffer-Heeger (SSH) phases via designing the optomechanical couplings legitimately. Meanwhile, combining the effective optomechanical couplings and the probability distributions of gap states, we reveal the topological phase transition between trivial SSH phase and nontrivial SSH phase via adjusting the decay rates of cavity fields. Moreover, we find that the enhanced topological effect of gap states can be achieved by enlarging the size of system and adjusting the decay rates of cavity fields.