Softening micromechanical constitutive model of stress induced martensite transformation for NiTi single crystal shape memory alloy

Based on the assumption of laminated microstructure, a micromechanical model of stress induced martensite transformation for NiTi shape memory alloys single crystal is proposed. Elasticity anisotropy and different proper-ties for two phases are considered. Martensite volume fraction is chosen as the internal variable that controls the phase transformation quantitatively. An effective macroscopic elasticity matrix based on the different elasticity characteristics of each phase and the martensite volume fraction are obtained with the help of the perfect interfa-cial relationships. A phase transformation driving force is derived to construct the transformation criterion. The model corresponds to a non-convexity free energy function during phase transformation, so softening behavior can be well simulated by the model. A numerical simulation is implemented for the uniaxial loading of NiTi single crystal alloy according to the model, and simulation results are proved by experimental results of polycrystal with strong {111} texture. Superelasticity, Anisotropy, the evolution of microstructure and softening behavior can be well simulated.     

Ni4Ti3沉淀相对NiTi形状记忆合金相变行为的影响

采用第二近邻修正型嵌入原子势的分子动力学方法,建立了共格沉淀相与半共格沉淀相块状/柱状模型,模拟了温度诱发相变和应力诱发相变,分析了Ni₄Ti₃沉淀相对Ni Ti形状记忆合金相变行为的影响．结果表明,Ni₄Ti₃沉淀相本征应变诱发的弹性应力场对相变中马氏体变体类型、形核位置、分布等有重要影响.在温度诱发相变时,共格沉淀相促进部分马氏体变体的形核生长,能显著提高Ni Ti超弹性形状记忆合金的马氏体相变开始温度;在应力诱发相变时,Ni₄Ti₃沉淀相使马氏体早于无沉淀相区域形核,导致了相变应力降低、抑制了马氏体解孪,减小了应力-应变曲线的滞回环.     

Cross-sectional geometry dependence of spontaneous phase transformation of copper nanowires

Molecular dynamics simulations have been performed to investigate the spontaneous phase transformation of copper nanowires. It is found that the spontaneous phase transformation exhibits distinct dependence on the cross-sectional geometry of the nanowires and can lead to the reconstruction of atoms into different atomistic configurations, e.g., pure hexagonal-close-packed crystals, fivefold deformation twins, and core/shell structures. For single-crystal copper nanowires, the critical cross-sectional size, above which no spontaneous phase transformation can occur, is determined. The physical mechanisms underlying the complicated transformation behavior are analyzed from the viewpoints of energy and stresses.     

Direct measurement of microstructural avalanches during the martensitic transition of cobalt using coherent x-ray scattering

Heterogeneous microscale dynamics in the martensitic phase transition of cobalt is investigated with real-time x-ray scattering. During the transformation of the high-temperature face-centered cubic phase to the low-temperature hexagonal close-packed phase, the structure factor evolution suggests that an initial rapid local transformation is followed by a slower period during which strain relaxes. Coherent x-ray scattering measurements performed during the latter part of the transformation show that the kinetics is dominated by discontinuous sudden changes-avalanches. The spatial size of observed avalanches varies widely, from 100 nm to 10 μm, the size of the x-ray beam. An empirical avalanche amplitude quantifies this behavior, exhibiting a power-law distribution. The avalanche rate decreases with inverse time since the onset of the transformation.     

冲击诱发NiTi形状记忆合金相变行为研究

NiTi形状记忆合金的高应变动态响应特性在军事、航空等领域具有重要应用.为研究NiTi合金在动态力学诱导下的相变行为,在不同温区不同冲击速率下,通过轻气炮装置对NiTi合金进行了动态加载实验.利用差示扫描量热仪(DSC),综合物性测量系统分析了冲击波残余效应对NiTi合金相变行为的影响.研究发现:受冲击的样品在第一次DSC热循环中观察到了三个马氏体吸热峰,表现为三步逆马氏体相变,而在第二次热循环中其中两个应力诱发马氏体吸热峰因变形恢复消失.形成两个应力诱发马氏体吸热峰的原因可能是晶粒内部与晶界处的相变过程不同步.受冲击后样品DSC放热峰上出现了一小肩峰,表明可能因中间相(R相)的出现而发生了两步相变,结合电阻测量曲线进一步确认R相的存在,且发现奥氏体相向R相转变以及R相向马氏体相转变这两种相变过程在某一温度范围内可同时进行.同时,文中也具体讨论了不同的冲击加载条件对相变过程的影响.     

Photoconductivity and the structural phase transition in SrTiO3

Detailed photoconductivity measurements have been performed in nominally pure SrTiO₃ in order to elucidate the effect of the antiferrodistorsive cubic-tetragonal phase transition. Small features in the photoconductivity’s temperature dependence in the phase transition region were found using low intensity interband UV or 514 nm light illumination. Such features are associated with a transformation of the defect system controlling the photoconductivity. At the same time, the temperature behavior of the photoconductivity spectral maximum reveals a rather unusual feature which is connected with changes in the absorption band edge structure in the phase transition region.     

A molecular dynamics study of phase transformations in mono-crystalline Si under nanoindentation

A molecular dynamics (MD) simulation is adopted to examine the deformation behavior and phase transformation of mono-crystalline Si in nanoindentation with a spherical indenter. The techniques of coordination number and radial distribution function are used to monitor and elucidate the detailed mechanism of the phase transformation throughout the whole process in which the evolution of structural phase change and the relevant distributions of bonding length can be traced and exhibited. In this article, the phases of BC8 and R8, which have the same coordinate number as the phase Si-I and were difficult to distinguish from each other in previous studies, are successfully identified and extracted from the deformed region during unloading. Moreover, the effect of the indenter-radius size on the structural phase transformation of mono-crystalline Si for three different crystallographically oriented surfaces is investigated. It is found that the onset of the plastic deformation tends to take place only as the ratio of the indentation depth to the tip radius is larger than 0.7. Under this condition the structural phase transformation can be easily observed in the residual deformed region after unloading.     

Phase transition of solid bismuth under high pressure

As a widely used pressure calibrator, the structural phase transitions of bismuth from phase I, to phase II, to phase III,and then to phase V with increasing pressure at 300 K have been widely confirmed. However, there are different structural versions for phase III, most of which are determined by x-ray diffraction(XRD) technology. Using x-ray absorption fine structure(XAFS) measurements combined with ab initio calculations, we show that the proposed incommensurate composite structure of bismuth of the three configurations is the best option. An abnormal continuous increase of the nearest-neighbor distance of phase III with elevated pressure is also observed. The electronic structure transformation from semimetal to metal is responsible for the complex behavior of structure transformation.     

Time-resolved,stress-induced,and anisotropic phase transformation of a piezoelectric polymer

We investigate the time-dependent and anisotropic phase transformation of poly (vinylidene difluoride) (PVDF) under bending. Using combined techniques of an atomic force microscope and a Fourier transform infrared spectroscope, observation of surface morphology and phase transformation in time was made. Results showed that bending stress induces the transformation of amorphous, α,β, and γ crystalline phases. Specifically, the amorphous phase was transformed into the β phase when the bending force was applied. In addition, the transformation observed was time and direction dependent. The anisotropic behavior observed brings insights into the origin of the piezoelectricity of PVDF.     

多孔未极化Pb(Zr0.95Ti0.05)O3铁电陶瓷单轴压缩力学响应与相变

通过添加造孔剂的方法制备了四种不同孔隙率未极化PZT95/5铁电陶瓷. 采用非接触式的数字散斑相关性分析(digital image correltation, DIC)全场应变光学测量技术, 对多孔未极化PZT95/5 铁电陶瓷开展了单轴压缩实验研究, 讨论了孔隙率对未极化PZT95/5铁电陶瓷的力学响应与畴变、相变行为的影响. 多孔未极化PZT95/5铁电陶瓷的单轴压缩应力-应变关系呈现出类似于泡沫或蜂窝材料的三阶段变形特征, 其变形机理主要归因于畴变和相变的共同作用, 与微孔洞塌缩过程无关. 多孔未极化PZT95/5铁电陶瓷的弹性模量、压缩强度都随着孔隙率的增加而明显降低, 而孔隙率对断裂应变的影响较小. 预制的微孔洞没有改善未极化PZT95/5铁电陶瓷材料的韧性, 这是因为单轴压缩下未极化PZT95/5铁电陶瓷的断裂机理是轴向劈裂破坏, 微孔洞对劈裂裂纹传播没有起到阻碍和分叉作用. 准静态单轴压缩下多孔未极化PZT95/5铁电陶瓷畴变和相变开始的临界应力都随着孔隙率的增大而呈线性衰减, 但相变开始的临界体积应变却不依赖孔隙率.     

相界上运动位错的弹性场

本文推广Eshelby等人关于无限各向异性介质中静止直线位错的处理方法,提出了计算两相介质中相界面上匀速运动位错弹性场的方案。本文所提出的简便方法有一般的适用性,可直接用于研究在相界面上高速运动的相变位错的行为,从而有助于理解位错运动在无扩散相变过程中的作用。最后对本文的方法及观察到的场中的间断面作了简短讨论。 关键词：     

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。     

The Three Processes of Phase II – I Transformation of Isotactic Polybutene-1

The spontaneous transformation of the unstable tetragonal phase II to the stable twined hexagonal phase I of isotactic polybutene – 1 at room temperature and atmospheric pressure was shown to proceed by one of three different mechanisms with these mechanism being neutral (N), increasing (P) or decreasing (M) the phase transformation rate. The rate was shown to be influenced by environmental effects. The environment can increase or decrease the phase transformation rate and, to a smaller extent, influence the sample crystallinity and the amount of the residual, untransformed phase II. The transformation rate was principially affected by the segmental mobility, increased by solvents or decreased by some chemical compounds or groups (e.g.–CH₂-CH₂ – as a comonomer). The transformation rate of the M process starts after an induction period during which the transformation nuclei are blocked.     

Lattice dynamics and structural phase transitions

Results of lattice dynamics, or atomic motions in a solid, explain many of the thermodynamic properties of solids. Inelastic neutron scattering conveniently explores the atomic motions, quantized as phonons. Of particular interest are materials that undergo structural phase transitions. The soft mode theory has been successful in relating anomalous phonon behavior to structural changes in solids. One such example is the ferromagnetic shape memory alloy, Ni₂MnGa, which undergoes a sequence of phase transitions leading to a magnetic, incommensurate modulated, tetragonal phase as the ground state. The experiments, coupled with first principles calculations, provide evidence that strong electron–phonon coupling is the driving mechanism of the phase transformation.     

Bistability, hysteresis and fluctuations in adiabatic ensembles of nanoparticles

A presuppositionless thermodynamic analysis of the phase transformations of nanoparticles in an adiabatic enclosure leads to a series of predictions of the transformation behavior. These predictions are perfectly confirmed with experimental results, which have been difficult to be explained until now. The most important predicted and validated phenomena are: (i) a broad range of bistability or hysteresis in the vicinity of the transformation temperature, (ii) the width of this range increases with increasing particle size and with increasing temperature, and (iii) the transformation temperature may be higher than the one for bulk material. As in reality, an experiment can never be performed in an idealized isothermal or adiabatic environment; one always has a mixture of these conditions. This influences the results. The outcome of this analysis explains why different authors report, probably dependent on experimental conditions, widely scattering results. Within this article, upper case letters are referring to one mole of the material and lower case letters refer to one particle.     

Reconstruction of Calorimetric Curves from X-ray Diffraction Data during the Melting-Recrystallization Process of Polymers: Simultaneous Calorimetry/X-ray Diffraction Measurements of Isotactic Poly(1-butene) in Form III

To understand complex phase behaviors of crystalline or semi-crystalline polymers, it is indispensable to clarify the correlation between the thermal and structural change events. Simultaneous calorimetry/X-ray diffraction measurement is one of the powerful methods to clarify such correlation. Isotactic poly(1-butene) (PB-1) exhibits complex phase transformation among the various crystal forms (Forms I, II, III, etc.). Here, we studied the transformation behavior of PB-1 in Form III by means of the simultaneous measurement and developed a new analytic method to reconstruct calorimetric curves from the X-ray diffraction data recorded simultaneously. Considering the recorded enthalpy values, we reconstructed a corresponding calorimetric curve from the temperature dependence of the X-ray diffraction intensity data. The curve almost agreed with the original curve. This analysis revealed the phase transformations of Form III PB-1 during heating as follows: First, Form III crystals melt and then Form II crystallization happens before completing the melting of the Form III. Finally Form II melts.     

Causes for the variable superconducting transition temperature in uranium metal

The variable superconducting transition temperature of uranium metal appears to depend upon the variability of a low-temperature martensitic transformation. Local structural fluctuations and phase instabilities are suggested as resulting when the transformation is incomplete. The thermodynamic stability of a two-phase modulated structure involving domain formation is discussed along with possible consequences of a domain configuration. Factors affecting T_c are used to explain the anamalous thermal property behavior of α-phase uranium.     

Slow aging dynamics and avalanches in a gold-cadmium alloy investigated by x-ray photon correlation spectroscopy

Results of a x-ray photon correlation spectroscopy experiment on the very weakly first order martensitic transformation of a Au50.5Cd49.5 single crystal are presented. Slow non-equilibrium-dynamics are observed in a narrow temperature interval in the direct vicinity of the otherwise athermal phase transformation. These dynamics are associated with the martensite-aging effect. The dynamical aging is accompanied by an avalanchelike behavior which is identified with an incubation-time phenomenon.     

Chaotic oscillations and noise transformations in a simple dissipative system with delayed feedback

We analyze the statistical behavior of signals in nonlinear circuits with delayed feedback in the presence of external Markovian noise. For the special class of circuits with intense phase mixing we develop an approach for the computation of the probability distributions and multitime correlation functions based on the random phase approximation. Both Gaussian and Kubo-Andersen models of external noise statistics are analyzed and the existence of the stationary (asymptotic) random process in the long-time limit is shown. We demonstrate that a nonlinear system with chaotic behavior becomes a noise amplifier with specific statistical transformation properties.     

Phase diagrams of the mixed spin-1 and spin-1/2 Ising-Heisenberg model on the diamond-like decorated Bethe lattice

The ground-state and finite-temperature behavior of the mixed spin-1 and spin-1/2 Ising-Heisenberg model on the diamond-like decorated Bethe lattice is investigated within the framework of two rigorous methods: the decoration-iteration transformation and exact recursion relations. The model under consideration describes a hybrid classical-quantum system consisting of the Ising and Heisenberg spins, which interact among themselves either through the Ising or XXZ Heisenberg nearest-neighbor interaction. Both sublattice magnetizations of the Ising and Heisenberg spins are exactly calculated with the aim to examine phase diagrams, thermal variations of the total and sublattice magnetizations. The finite-temperature phase diagrams form continuous (second-order) phase transition lines only, which exhibit a small reentrant region if the diamond-like decorated Bethe lattice with a sufficiently high coordination number is considered.