Study of temperature dependence of density, bulk modulus, shear modulus and thermal pressure for mantle minerals

The temperature dependence of different parameters i.e. density ρ(T), bulk modulus K_T(T), shear modulus G_T(T) and thermal pressure ΔP_th for mantle minerals i.e. X₂SiO₄ (X=Mg, Fe, Co, Mn) have been studied in high temperature range on the basis of semi-phenomenological isobaric equation of state. The calculated values of these parameters are showing good agreements with experimental value in case of each mantle minerals.     

X-ray diffraction study of temperature dependence of Nairit polychloroprene permolecular structure

With use of the X-ray technique the permolecular structure of Nairit polychloroprene has been investigated. It is shown that the relative degree of crystallinity decreases with the increase in the polymerization temperature. At relatively low temperatures (18–30°C), in Nairits intensive formation of nuclei occurs and simultaneously existing crystallites collapse. Although mean sizes of crystallites decrease, the degree of crystallinity increases. At higher temperatures (above 30°C) melting of existing crystallites and decrease in the number of nuclei lead to decrease in crystallinity and mean sizes of crystallites.     

Effect of Young's modulus evolution on residual stress measurement of thermal barrier coatings by X-ray diffraction

Subjected to thermal cycling, the apparent Young's modulus of air plasma-sprayed (APS) 8 wt.% Y₂O₃-stabilized ZrO₂ (8YSZ) thermal barrier coatings (TBCs) was measured by nanoindentation. Owing to the effects of sintering and porous microstructure, the apparent Young's modulus follows a Weibull distribution and changes from 50 to 93 GPa with an increase of thermal cycling. The evolution of residual stresses in the top coating of an 8YSZ TBC system was determined by X-ray diffraction (XRD). The residual stresses derived from the XRD data are well consistent with that obtained by the Vickers indention. It is shown that the evolution of Young's modulus plays an important role in improving the measurement precision of residual stresses in TBCs by XRD.     

The effect of temperature on elastic constants and bulk modulus

A model pseudopotential depending on an effective core radius is proposed to study the elastic constants C ₁₁, C ₁₂, C ₄₄ and bulk modulus B of Cu, Ag, Au, Ni, Pt and Rh at various temperatures (300–1500 K). The contribution of d-like electron is taken into account by introducing repulsive short-range Born-Mayer term. An excellent agreement between theoretical investigation and experimental findings has confirmed our formalism.     

一种计算剪切模量温度系数的方法

采用理论计算与动高压实验相结合的方法，提出了一个计算剪切模量温度系数G′T的新方法.首先用理论方法计算一个中间数据G(PS)，然后再与动高压实验数据G(PH)结合在一起计算出G′T,并针对93钨合金材料进行了计算.计算结果表明剪切模量温度系数G′T开始是随温度和压力变化的，但在高温高压下，它趋近于一常数.对于93钨合金，这个常数约为-004GPa／℃.同时，这也是对Steinberg本构模型中的剪切模量温度系数为常数的一个证明.并且，当把这一常数代入剪切模量温度系数的计算式中，将重新计算出的剪切模量与实验测得的剪切模量结果进行了比较，结果表明二者符合得很好，从而证明了本计算的剪切模量温度系数的正确性. 关键词： 有限应变物态方程 剪切模量温度系数 Steinberg本构模型 动高压实验     

Effects of pressure and temperature on the isothermal bulk modulus of CaO

Molecular dynamics (MD) simulations have been performed to investigate the effects of pressure and temperature on the isothermal bulk modulus of CaO using pair-wise interactions that include polarization effects through the shell model (SM). The dependence of isothermal bulk modulus B_T of CaO on the compression ratio V/V₀ and pressure P have been obtained from MD runs at T=300 K, and compared with the available experimental data and other theoretical results. A good agreement between theory and experiment is obtained. Meanwhile, B_T dependence on temperature T at zero pressure is investigated. At extended pressure and temperature ranges, SM-MD method has also been carried out for predicting the P-V-T equation of state and isothermal bulk modulus at different temperatures along the isotherms 0, 1000, 2000, 3000, and 4000 K, and at different pressures along the isobars 5, 15, 30, 40, and 50 GPa for CaO, respectively.     

基于超声相控阵衍射波图像的缺陷测量方法*

工程应用中通常采用超声相控阵的脉冲发射法对缺陷进行扇形扫描,并通过6dB法测量缺陷尺寸。然而,基于反射波幅度的6dB测长方法很难精确地测量缺陷尺寸。本研究提出利用超声相控扇形扫描图中的缺陷衍射波图像测量缺陷尺寸以获得较高的测量精度。首先,分析了扇扫图像中缺陷衍射波特征图像及其影响参数以获得清晰的扇扫缺陷衍射波图像;其次,提出了基于衍射波的缺陷尺寸测量方法,并比较了多种测量方法的测量精度。研究结果显示：基于相控阵扇扫的缺陷衍射波测长精度较之反射波幅度法更高,而反射波法更适用于缺陷取向的测量。本研究为缺陷定量检测提供了一种更为有效的解决方案。     

A simplified method to determine the coverage dependence of surface diffusion coefficients

A new method to determine the coverage dependence of surface diffusion coefficients from coverage-gradient experiments is presented. The initial coverage-gradient employed is an evacuated circular region surrounded by a constant coverage. In order to demonstrate this method, Fick's second law equation was numerically solved using coverage-dependent surface diffusion coefficients. An analysis of the results demonstrates that the coverage dependence of the surface diffusion coefficient can be determined using a simple extrapolation procedure. The coverage dependence can be obtained for a wide range of functional forms for the surface diffusion coefficient. The extrapolation procedure requires only that the number of adsorbates that have diffused back into the initially evacuated region be measured as a function of time. This method should be useful in the interpretation of coverage-gradient surface diffusion experiments, especially those performed using laser-induced thermal desorption techniques.     

一种基于双波长的光声测温技术

光声测温是一种利用光声效应来进行温度监控的新方法,具有非侵入式、高灵敏度和探测深度较深等优点.但现有的单波长光声测温方法极易受到系统及测量环境干扰而导致测量精度降低.为了解决这一问题,本文提出了一种双波长光声温度测量方法.在光声测温理论的基础上,分析推导了双波长光声测温的基本原理,并进行了仿体及离体组织样品的双波长光声测温实验.实验结果显示,与传统单波长模式相比,双波长模式下的光声温度测量误差明显减小,测量精度平均提高35%以上.研究结果表明双波长光声测温方法能够有效提高光声温度测量的精度和稳定性,可作为一种更精准的光声温度监控方法应用于医疗手术等领域.     

Isothermal bulk modulus and its first pressure derivative of NaCl at high pressure and high temperature

The isothermal bulk modulus and its first pressure derivative of NaCl are investigated using the classical molecular dynamics method and the quasi-harmonic Debye model. To ensure faithful molecular dynamics simulations, two types of potentials, the shell-model (SM) potential and the two-body rigid-ion Born-Mayer-Huggins-Fumi-Tosi (BMHFT) potential, are fully tested. Compared with the SM potential based simulation, the molecular dynamics simulation with the BMHFT potential is very successful in reproducing accurately the measured bulk modulus of NaCl. Particular attention is paid to the prediction of the isothermal bulk modulus and its first pressure derivative using the reliable potential and to the comparison of the SM and the BMHFT potentials based molecular dynamics simulations with the quasi-harmonic Debye model. The properties of NaCl in the pressure range of 0-30 GPa at temperatures up to the melting temperature of 1050 K are investigated.     

Isothermal bulk modulus and its first pressure derivative of NaCl at high pressure and high temperature

The isothermal bulk modulus and its first pressure derivative of NaCl are investigated using the classical molecular dynamics method and the quasi-harmonic Debye model.To ensure faithful molecular dynamics simulations,two types of potentials,the shell-model(SM) potential and the two-body rigid-ion Born-Mayer-Huggins-Fumi-Tosi(BMHFT) potential,are fully tested.Compared with the SM potential based simulation,the molecular dynamics simulation with the BMHFT potential is very successful in reproducing accurately the measured bulk modulus of NaCl.Particular attention is paid to the prediction of the isothermal bulk modulus and its first pressure derivative using the reliable potential and to the comparison of the SM and the BMHFT potentials based molecular dynamics simulations with the quasi-harmonic Debye model.The properties of NaCl in the pressure range of 0-30 GPa at temperatures up to the melting temperature of 1050 K are investigated.     

Larmor diffraction measurement of the temperature dependence of lattice constants in CuGeO3

By using the neutron Larmor diffraction method and a setup based on the improved neutron resonant spin echo option ZETA recently installed on the three-axis spectrometer IN22 (CRG beam line at the ILL), we have determined the precise relative evolution of the inter- and intra-chain lattice constants of the paradigmatic spin-Peierls compound CuGeO₃ as a function of temperature. Our results are consistent with previous results obtained by conventional high-resolution diffraction. This method also allows to retrieve independently the sample mosaicities, as well as the widths of various lattice-spacings distributions, thus offering an evaluation of the intrinsic sample quality. In spite of the good definition of the spin-Peierls transition at T_SP=14.1(1) K in our sample, we observe a large distribution of lattice constants (Δd/d?3×10⁻³), while the mosaicity of the sample appears to be quite reasonable (?20′).     

Abrupt discontinuity of the bulk modulus pressure dependence in Fe64Ni36

X-ray diffraction and ultrasonic measurements have been carried out simultaneously up to 7 GPa at ambient temperature on a polycrystalline sample of Fe64Ni36 Invar alloy. The bulk modulus is found to increase linearly with pressure with an unusual low value (1.4) of dB/dP up to about 3.1(2) GPa followed by a regular slope (3.6) at higher pressure. The observation of these two distinct regimes is in qualitative agreement with previous results on the variation of the iron magnetic moment, and can be interpreted using the 2gamma-state model in terms of gradual population of low spin-small volume state at the expense of the high spin-large volume state under pressure.     

On the temperature dependence of ballistic Coulomb drag in nanowires

We have investigated within Fermi liquid theory the dependence of Coulomb drag current in a passive quantum wire on the applied voltage V across an active wire and on the temperature T for any values of eV/k(B)T. We assume that the bottoms of the 1D minibands in both wires almost coincide with the Fermi level. We conclude that: (1) within a certain temperature interval the drag current can be a descending function of the temperature T; (2) the experimentally observed temperature dependence T(-0.77) of the drag current can be interpreted within the framework of Fermi liquid theory; (3) at relatively high applied voltages the drag current saturates as a function of the applied voltage; and (4) the screening of the electron potential by metallic gate electrodes can be of importance.     

Pressure dependence of melting temperature and shear modulus of hcp-iron

The pressure effects on melting temperature and shear modulus of hcp-iron have been studied based on the semi-empirical approach in the Debye model. The recent well-established pressure-dependent Grüneisen parameter has been applied to derive the analytical expressions of the Debye frequency, the Debye temperature, melting temperature and shear modulus which are of importance to geophysical implications. Numerical calculations have been performed for hcp-iron as functions of pressure up to the pressure of Earth's inner core. Our calculations are compared with those of previous experimental and theoretical data showing the good and reasonable agreements. The present results contribute to the database of high pressure melting, especially Earth's inner core boundary temperature, and could also be used to verify as well as analyze the future high pressure diamond-anvil cell experiments.     

Debye temperature of gold under high pressure determined by X-ray powder diffraction method

In order to verify pressure scales of gold, the atomic-volume dependence of Debye temperature under high pressure up to 14 GPa was measured based on Debye–Waller factor by an X-ray diffraction method. High-pressure and high-temperature X-ray powder diffraction patterns were collected by an energy-dispersive method using synchrotron radiation. The X-ray Debye temperature under high pressure was calculated from the integrated intensity ratio between the diffraction patterns collected at two different temperatures. The atomic-volume dependence of the Debye temperature obtained in the present study was consistent with that predicted by a first-principles calculation, in which Debye temperature and Grüneisen parameter of the volume at ambient condition were ${\Theta }_{D0}=180K$ and ${\gamma }_0=3.16$, respectively.     

A method to determine effective metamaterial properties based on stratified metafilms

Metamaterials’ properties may be quantified through the assignment of bulk material parameters such as magnetic permeability and electric permittivity. These assignments rely on the assumption that metamaterials are effective media, in this context meaning that their electromagnetic properties are independent of the sample size. This assumption is not always valid, particularly for metafilms, the surface equivalents of metamaterials. However, metamaterials comprised of numerous metafilm and dielectric layers can be uniquely characterized in the effective medium approximation when all aspects of the metamaterial are properly integrated. We present a simple model based on stratified systems to illustrate this fact. The model further assists in the interpretation of novel metamaterial behaviors and offers a rapid and accurate method to determine the functionality of bulk metamaterial-based devices.     

振动法同时测定动态杨氏模量和剪切模量

在运用传感器、数据采集卡、LabVIEW虚拟仪器测定矩形板材在弯曲和剪切振动频率基础上,同时测定材料的动态杨氏模量、剪切模量和泊松比.