Anomalies in the Young modulus at structural phase transitions in rare-earth cobaltites RBaCo<Subscript>4</Subscript>O<Subscript>7</Subscript> (R = Y,Tm-Lu)

The elastic properties of rare-earth cobaltites RBaCo₄O₇ (R = Y, Tm-Lu) have been experimentally studied in the temperature range of 80–300 K. The strong softening of the Young modulus ΔE(T)/E ₀ ≈ −(0.1–0.2) of cobaltites with Lu and Yb ions has been revealed, which is due to the instability of the crystal structure upon cooling and is accompanied by an inverse jump at the second-order structural phase transition. The softening of the Young modulus and the jump at the phase transition decrease by an order of magnitude and the transition temperature T _s and hysteresis ΔT _s increase from a compound with Lu to that with Tm. A large softening of the Young modulus at the structural transition in Lu- and Yb cobaltites indicates that the corresponding elastic constant goes to zero, whereas this constant in Tm cobaltite is not a “soft” mode of the phase transition. It has been found that the structural phase transition in Lu- and Yb cobaltites is accompanied by a large absorption maximum at the phase transition point and an additional maximum in the low-temperature phase and absorption anomalies in Tm cobaltite is an order of magnitude smaller.     

Synthesis and physical properties of the ferroelectric magnet SrBi3Nb2FeO12

The dielectric, elastic, and inelastic properties of a ceramic ferroelectric SrBi₃Nb₂FeO₁₂ are studied over the temperature range 300–900 K. The observed anomalies in the temperature dependences of the permitivity, dielectric loss, shear modulus, and internal friction indicate the occurrence of a structural phase transition in the compound at ～700 K. It is suggested that the transition is a proper ferroelectric and improper ferroelastic second-order phase transition.     

Isothermal kinetics and relaxation recovery of high-frequency shear modulus in the course of structural relaxation of Pd<Subscript>40</Subscript>Cu<Subscript>30</Subscript>Ni<Subscript>10</Subscript>P<Subscript>20</Subscript> bulk glass

Isothermal kinetics of relaxation of the high-frequency (1.4 MHz) shear modulus during structural relaxation of Pd₄₀Cu₃₀Ni₁₀P₂₀ bulk metallic glass below the glass transition temperature is studied by an in situ method of contactless electromagnetic acoustic transformation. The kinetic law of relaxation is established. It is shown that quenching of aged samples from the supercooled liquid state leads to a decrease in the absolute value of shear modulus to below the initial value; the degree of subsequent isothermal relaxation of the modulus may be several times higher than the initial value. Possible reasons for relaxation and recovery of the shear modulus are considered.     

Temperature Effect on the Elasticity of Acrylamide-n-Isopropylacrylamide Copolymers

Acrylamide (AAm) – N-isopropylacrylamide (NIPA) copolymers were prepared via free radical crosslinking copolymerization with various weight percentages (wt%) of AAm and NIPA. The temperature dependence of the compressive elastic modulus, G, and toughness, U_T, of the PAAm- NIPA copolymers due to a volume phase transition was found using a compressive testing technique. It was observed that the compressive elastic modulus increased comprehensively when the temperature was increased between 30°C and 60°C. The PAAm- NIPA copolymers presented higher values of the compressive elastic modulus than pure NIPA above the lower critical solution temperature (LCST) (NIPA exhibits a volume phase transition from hydrophilic to hydrophobic in water at 31°C) and their compressive elastic modulus and toughness had a strong temperature dependence.     

Characterisation of the high-pressure structural transition and elastic properties in boron arsenic

This paper carries out the First principles calculation of the crystal structures (zinc blende (B3) and rocksalt (B1)) and phase transition of boron arsenic (BAs) based on the density-functional theory. Using the relation between enthalpy and pressure, it finds that the transition phase from the B3 structural to the B1 structural occurs at the pressure of 113.42GPa. Then the elastic constants C₁₁, C₁₂, C₄₄, bulk modulus, shear modulus, Young modulus, anisotropy factor, Kleinman parameter and Poisson ratio are discussed in detail for two polymorphs of BAs. The results of the structural parameters and elastic properties in B3 structure are in good agreement with the available theoretical and experimental values.     

Elastic,electronic and thermal properties of topological insulator SmB6: first-principles calculations

Abstract

The pressure dependence of the structural, elastic, electronic and thermal properties of Kondo insulator SmB₆ have been systematically studied by density functional theory combined with the quasi-harmonic Debye model. The calculated structure at zero pressure is in good agreement with the available experimental results at low temperature. The obtained elastic constants, bulk modulus and shear modulus indicate that SmB₆ is mechanically stable and behaves in a brittle manner under the applied pressure 0–20 GPa, consistent with available experimental data. In addition, the elastic-relevant properties, Young’s modulus and the Poisson ratio manifest that increasing pressure results in an enhancement in the stiffness of the compound. It is found that unlike temperature, pressure has little effect on the heat capacity of SmB_6. What more important is that we observed an insulator to metal phase transition at about 5.5 GPa through the disappearance of the band gap, well consistent with the experimental data. This transition has little effect on the physical properties of SmB₆.     

Phase transitions in La0.5Sr0.5FeO3−δ investigated by mechanical spectrum

The mechanical spectrum measurement was performed in ceramic La_0.5Sr_0.5FeO_3?δ from liquid nitrogen temperature to room temperature at kilohertz frequencies. From temperature dependent reduced modulus, a kink (corresponding temperature labeled as T_M) was observed which evidenced a phase transition by the mechanical spectrum at two flexural resonance frequencies. This elastic manifested phase transition is a charge disproportionation transition. Around 170 K, an internal friction peak (labeled as P1) was observed accompanied with a large modulus hardening with the decrease in temperature. Two mechanisms are proposed for P1 peak, one is elastic manifestation of magnetic freezing, and the other is the ordering or freezing of oxygen vacancies.     

First-principles studies of structural,mechanical, electronic,optical properties and pressure-induced phase transition of CuInO2 polymorph

Using the first-principles density-functional theory within the generalized gradient approximation (GGA), we have investigated the structural, elastic, mechanical, electronic, and optical properties and phase transition of CuInO₂. Structural parameters including lattice constants and internal parameter, pressure effects and phase transition pressure were calculated. We have obtained the elastic coefficients, bulk modulus, shear modulus, Young's modulus and Poisson's ratio. We find that two phases of CuInO₂ are indirect band gap semiconductors (F–Γ and H–Γ for 3R and 2H, respectively). Optical properties, including the dielectric function, refractive index, extinction coefficient, reflectivity, absorption coefficient, loss function and optical conductivity have been obtained for radiations of up to 30 eV.     

Structural and thermodynamic properties of OsN2 from first-principles calculations

We investigate the structural and thermodynamic properties of OsN2 by a plane-wave pseudopotential density functional theory method. The obtained lattice constant,bulk modulus and cell volume per unit formula are consistent with the available theoretical data. Moreover,the pressure-induced phase transition of OsN2 from pyrite structure to fluorite structure has been obtained. It is found that the transition pressure of OsN2 at zero temperature is 67.2 GPa. The bulk modulus B as well as other thermodynamic quantities of fluorite OsN2 (including the Gru¨neisen constant γ and thermal expansion α) on temperatures and pressures have also been obtained.     

NiTi合金中应力诱导的I/C相变及其界面动力学的研究

在改装了的拉力试验机上,以不同的拉伸速率ε(0.79—18×10^-5s^-1)进行加、卸载试验,并用中间扭摆和四端电位法同时测量了Ni-49at％Ti合金丝在应力诱导I/C相变过程的内耗Q^-1、模量M/M₀、电阻率ρ/ρ₀和应力-应变曲线。研究了应力循环和应变速率的影响。在Q^-1-ε曲线上出现Q^-1峰,而在f²-ε曲线上出现与之相对应的模量极小。内耗峰的高度Q_p^-1和模量亏损值均随ε增大而增大。根据界面动力学模型和内耗的实验数据,计算得应力诱导I/C相变过程界面的动力学关系为V=V^*(△G—△G_R)^m,V^*和m为动力学参数,△G_R为相变过程中运动相界面所受的阻力,计算得△G_R≈1cal/mol。讨论了内耗和模量亏损、软模效应之间的关系。 关键词：     

Nonequilibrium states and anomalies of Young’s modulus in rare-earth cobaltites RBaCo4O7 (R = Dy-Er,Y, Lu) caused by short-range magnetic order

The elastic properties of rare-earth cobaltites RBaCo₄O₇ (R = Dy, Ho, Er, Y, Lu) have been investigated experimentally. It has been found that the temperature dependences of the Young’s modulus exhibit significant hysteresis and irreversible effects over a wide range (80–280 K) between the structural and magnetic phase transition temperatures. These effects indicate that the short-range magnetic order in the Co sub-system of the studied rare-earth cobaltites gradually develops below the structural phase transition, when the distortion of the structure relieves the frustration of exchange interactions both in the Kagome lattice and in the triangular lattice of the cobalt subsystem. At the magnetic phase transition temperature, there are weak and smoothed anomalies of the Young’s modulus, which correlate with the low dimensionality and frustration of the exchange interactions in the Co subsystem of the studied rare-earth cobaltites.     

A mechanical spectrum study of bilayer cuprate La1.82Sr0.18CaCu2O6+δ

The mechanical spectrum of bilayer cuprate La_1.82Sr_0.18CaCu₂O_6+δ (La2126) was measured using the vibrating reed method from 30 K to room temperature at kilohertz frequency. A clear modulus softening was observed at 223 K accompanied by a sharp internal friction peak, which evidences a phase transition. Another broad internal friction peak around 250 K was observed, accompanied by a large modulus change. This contrasts with the broad internal friction peak of Ca doped Y Ba₂Cu₃O_7−δ (Y123) for which no clear modulus change was observed. The main contribution to the broad internal friction peak of La2126 is expected to be from the glass transition of the interstitial oxygen atoms.     

Internal friction in Cu6PS5Br superionic crystals and related composites

Mechanical properties of Cu₆PS₅Br single crystals and composites based on them have been investigated by the internal friction method. The measurements of the internal friction and the shear modulus have been performed in the temperature range of 80–300 K at deformation frequencies of 10–100 mHz in a mode of forced torsional vibrations. The maxima caused by the superionic and ferroelastic phase transitions have been found in temperature dependences of the internal friction. It has been shown that a more than two-fold decrease in the shear modulus with increasing temperature in the range of 150–230 K is caused by mobility unfreezing in the cation sublattice of the Cu₆PS₅Br single crystal during the superionic phase transition. An abrupt (more than threefold) increase in the shear modulus upon heating in the range of 260–270 K is caused by the ferroelastic phase transition of the Cu₆PS₅Br single crystal. Parameters of the internal friction of this single crystal in the course of mentioned phase transitions have been determined.     

La1-xSrxFeO3-δ（0≤x≤2/3）的低频内耗研究

对A位掺杂的La_1-xSr_xFeO_3-δ氧化物体系进行了低频内耗测量.研究发现此体系的内耗和模量-温度谱随Sr掺杂量（x）的不同而变化.当Sr含量x=0时,LaFeO_3-δ体系的内耗和模量在测量温度范围内（-150—380℃）没有明显变化;而当x=0.2,0.25,1/3以及0.5时,掺杂样品均观察到一个与正交—三角相变对应的相变型内耗峰P₁,且其峰温随x增加向低温移动.在x=0.25,1/3,0.5,0.6以及2/3的样品中还观察到一个弛豫型特征的内耗峰P₂,此峰伴随着模量的变化,可归于畴壁的运动.进一步分析表明畴壁是受氧空位钉轧的.在x=0.5,0.6以及2/3样品的模量-温度谱上呈现出的模量急剧变化是与三角—立方铁弹性相变有关的. 关键词： 内耗 畴壁 钉扎 铁弹性相变     

Mechanical spectrum study of glass transition by a composite method

Normalized mechanical spectra of glycerol, 1,2-propanediol carbonate and poly(vinyl chloride)/di(2-ethyl-hexyl) phthalate (PVC/DOP) blends were studied in the temperature range from 100 to 300 K by a composite method. The dynamic glass transition was observed, which exhibits a peak of temperature-dependent loss modulus. The peak moves toward higher temperature with higher measuring frequency, which accords with the relaxation feature of the dynamic glass transition. Another characteristic temperature can be marked in the mechanical spectrum by the onset of storage modulus change, which is labeled as T_gm. T_gm is found to be nearly equal to the calorimetric glass transition temperature in glycerol, 1,2-propanediol carbonate and di(2-ethyl-hexyl) phthalate. As we expected, this onset temperature in the mechanical spectrum has an intimate relation with the calorimetric glass transition of materials, and it can be regarded as a representative when the calorimetric glass transition temperature is not available. Finally, normalized mechanical spectra of PVC/DOP blends with different PVC content were obtained and mechanical glass transition temperatures T_gm were determined.     

Jahn-Teller transition and electron-phonon interaction in Cr-doped manganites Sr0.9Ce0.1Mn1−yCryO3

Cr-doped manganites Sr_0.9Ce_0.1Mn_1−yCr_yO₃ (y=0, 0.05, and 0.10) have been systematically investigated by X-ray, magnetic, transport, and elastic properties measurements. For parent compound Sr_0.9Ce_0.1MnO₃, it undergoes a metal-insulator (M-I) transition at 318 K, which is suggested to originate from a first-order structural transition accompanied by Jahn-Teller (JT) transition. With increasing Cr doping content, the JT transition temperature decreases. The Cr doping suppresses the antiferromagnetic (AFM) state and makes the system spin-glass (SG) behavior at low temperatures. In the vicinity of JT transition temperatures, the softening of Young's modulus originating from the coupling of the orbital (quadrupolar) moment of the e_g orbital of Mn³⁺ ion to the elastic strain has been observed. The anomalous Young's modulus properties imply the electron-phonon coupling due to the JT effect may play an important role in the system.     

Phase transition,structural, mechanical and thermal properties of erbium pnictides under pressure

In this article, we have investigated the high-pressure structural phase transition of erbium pnictides (ErX; X?=?N, P and As). An extended interaction potential model has been developed (including the zero-point energy effect in three-body interaction potential model). Phase transition pressures are associated with a sudden collapse in volume. The phase transition pressures and associated volume collapses have been predicted successfully. The elastic constants, their combinations and pressure derivatives are also reported. The pressure behaviour of elastic constants, bulk modulus and shear modulus have been presented and discussed. Moreover, the thermophysical properties such as molecular force constant (f), infrared absorption frequency (υ ₀), Debye temperature (θ _D) and Grunneisen parameter (γ) have also been predicted.     

Irreversible structural relaxation in a bulk Pd-Cu-Ni-P metallic glass

The evolution of the shear modulus and the damping decrement during irreversible structural relaxation in a bulk Pd₄₀Cu₃₀Ni₁₀P₂₀ metallic glass in a temperature range below the glass transition temperature has been studied with an inverse torsion pendulum at a frequency of ～25 Hz. It is shown that the irreversible relaxation can be recovered via quenching from temperatures above the glass transition temperature. The spectrum shape, the characteristic activation energies, and the attempt frequencies of the irreversible structural relaxation are estimated.     

High pressure effect on structural and mechanical properties of some LnO (Ln=Sm, Eu, Yb) compounds

The structural and mechanical properties of LnO (Ln=Sm, Eu, Yb) compounds have been investigated using a modified interionic potential theory, which includes the effect of Coulomb screening. We predicted a structural phase transition from NaCl (B₁)- to CsCl (B₂)-type structure and elastic properties in LnO compounds at very high pressure. The anomalous properties of these compounds have been correlated in terms of the hybridisation of f-electrons of the rare earth ion with conduction band and strong mixing of f-states of lanthanides with the p-orbital of neighbouring chalcogen ion. For EuO, the calculated transition pressure, bulk modulus and lattice parameter are close to the experimental data. The nature of bonds between the ions is predicted by simulating the ion-ion (Ln-Ln and Ln-O) distances at high pressure. The second order elastic constants along with shear modulus and Young's modulus, elastic anisotropy and Poisson's ratio are also presented for these oxides.     

Effect of deformation and heat treatment on the damping constant and shear modulus of a bulk Zr-Cu-Ni-Al-Ti metallic glass

The effect of deformation by rolling or quenching from temperatures close to the glass transition temperature on the damping constant and the shear modulus of preliminarily annealed bulk samples of a Zr_52.5Ti₅Cu_17.9Ni_14.6Al₁₀ metallic glass was studied. These treatments are found to result in recovery of the “irreversible” contributions to the damping constant and the shear modulus, and the deformation treatment is shown to lead to an increase in the amplitude-dependent internal friction.