Analysis of equation of state and thermodynamic functions for trans-decahydronaphthalene up to 200~MPa and 446~K

This paper develops a modified Tait equation of state(EOS) for trans-decahydronaphthalene with four parameters A,B,V0 and P0 being treated as linear functions of temperature.The coefficients contained in these functions are determined through fitting the experimental compression data in the literature between 293 K and 446 K and at pressures from 10 to 200 MPa.Expressions for the thermal expansivity,isothermal compressibility and thermodynamic quantities are deduced and the numerical results are analytically derived.The numerical results show that the precision of the modified Tait EOS developed in this paper is superior to the EOS in the literature.     

Thermophysical properties of iridium at finite temperature

The bulk properties of materials in an extreme environment such as high temperature and high pressure can be understood by studying anharmonic effects due to the vibration of lattice ions and thermally excited electrons.In this spirit,in the present paper,anharmonic effects are studied by using the recently proposed mean-field potential(MFP) approach and Mermin functional which arise due to the vibration of lattice ions and thermally excited electrons,respectively.The MFP experienced by a wanderer atom in the presence of surrounding atoms is constructed in terms of cold energy using the local form of the pseudopotential.We have calculated the temperature variation of several thermophysical properties in an extreme environment up to melting temperature.The results of our calculations are in excellent agreement with the experimental findings as well as the theoretical results obtained by using first principle methods.We conclude that presently used conjunction scheme(MFP+pseudo potential) is simple computationally,transparent physically,and accurate in the sense that the results generated are comparable and sometimes better than the results obtained by first principle methods.Local pseudopotential used is transferable to extreme environment without adjusting its parameters.     

Molar volume, thermal expansivity and isothermal compressibility of trans-decahydronaphthalene up to 200MPa and 446K

The molar volume isotherms of trans-decahydronaphthalene （C10H18） between 293 and 446 K and at pressures from 10 to 200 MPa have been determined. A modified Tait equation of state is used to fit each experimental molar volume isotherm with a maximum average deviation of 0.029%. The thermal expansivity （cubic expansion coefficient） α and isothermal compressibility κ were determined by fitting the slopes of the isobaric curves and isotherms, respectively. The coefficients in the equation Vm=C1＋C2T＋C3T^2-C4p-C5pT have been fitted with an average deviation of 1.03%.     

The representation of thermodynamic properties at high pressures

It is sometimes advantageous to have an expression for the Gibbs energy, G_m(T,P), from which one can analytically derive an expression for the Heimholtz energy, F_m(T, V_m). Such an expression is suggested for solid substances and it is shown how expressions for other physical properties can be derived from it.     

Mechanical and AFM investigations of elastomers filled with multiwall carbon nanotubes

Strong reinforcing effects are observed when multiwall carbon nanotubes are incorporated in a styrene–butadiene copolymer. The good level of dispersion of carbon nanotubes in the host matrix that allows to take advantage of their high aspect ratio as well as their orienting capability under uniaxial extension, appear to be the main parameters for mechanical reinforcement. Atomic force microscopy carried out in the unstretched and stretched states has been shown to bring important insights for the understanding of the mechanical properties of the composites.     

Al-Cu-Ge合金的热物理性质与快速凝固规律研究

Al-Cu-Ge合金是典型的三元共晶体系,在工业上有重要的应用价值,对其进行研究有助于了解该合金的热物理性质和提高该合金的结构性能.本文选择了Al55Cu10Ge35,Al70Cu10Ge20和Al80Cu10Ge10三种成分合金作为研究对象,对合金的固态比热和热膨胀系数进行了测量,并对比分析了合金在近平衡凝固和落管快速凝固条件下的组织特征和凝固路径.研究发现,合金比热随Al含量的增大和Ge含量的减少而增大.这三种成分合金的软化温度均为666 K,物理热膨胀系数α在370—650 K温度范围内基本一致,约为1.5×10-5K-1.近平衡凝固条件下合金凝固过程中最后一步反应生成的均为(Al)+(Ge)二相共晶而不是三元共晶,这表明(Al)、(Ge)和CuAl2相在这三种成分的Al-Cu-Ge合金中难以同时形核并协同生长.然而,在快速凝固条件下,初生相的形核和生成受到抑制,合金中更易于形成二相共晶和三元共晶组织.     

Thermophysical properties of Ni-5%Sn alloy melt

The surface tension and specific heat of Ni-5%Sn alloy melt were measured by the oscillating drop method and the drop calorimetric method using electromagnetic levitation, respectively. The temperature coefficient of surface tension is 6.43×10⁻⁴ N·m⁻¹K⁻¹ within the temperature regime of 1464–1931 K. The enthalpy change was measured in the temperature range from 1461 to 1986 K, and the average specific heat was obtained as 43.03 J·mol⁻¹K⁻¹. Some other thermophysical properties, such as viscosity, solute diffusion coefficient, density, thermal diffusivity and thermal conductivity of this alloy melt, were derived based on the experimentally measured surface tension and specific heat. Using these thermophysical parameters, the relation between solute trapping and undercooling in rapidly solidified α-Ni was calculated, and the theoretical prediction shows a good agreement with experimental data.     

Thermophysical properties of fluorinated acrylate homopolymers: Mixing and phase separation

The thermophysical properties of fluorinated acrylate homopolymers are investigated by differential scanning calorimetry (DSC) and optical microscopy and discussed in terms of relative lengths of the fluorinated chain and the hydrocarbon spacer between the acrylate moiety and the fluorinated chain. These compounds exhibit an intrinsic microphase-separation (Isotropic+Isotropic morphology) occurring between the fluorinated chains and the acrylate polymer backbone. It is shown that the enthalpy of mixing is a function of the length of the lateral fluorocarbon chains. The thermophysical behaviour of these materials may be regarded as demixed systems exhibiting an Upper Critical Solution Temperature. The photopolymerization process of one of the monomer is studied by isothermal photocalorimetry. High acrylate double-bond conversion and fast curing rates were obtained thus demonstrating the promising use of these materials for coating and film processing applications using UV-curing techniques. Received 30 January 2002     

高温高压气体的状态方程与热力学性质

本文根据高温高压下气体分子要压缩的观点出发,提出了一个简单实用的高温高压气体状态方程,并用以研究和计算气体在高温高压下的热力学函数与性质.     

An attempt to explain thermal properties of liquids at high pressures

The behavior of the heat capacity and the thermal expansion of liquids at high pressures is explained on the basis of a molecular interpretation of thermal expansion and its dependence on temperature. According to this interpretation an application of pressure to a liquid markedly changes its intermolecular potential.     

Pressure‐induced incompressibility and point singularity of mechanical properties of TaC in NiAs‐type structure

The structural and elastic properties of TaC in NiAs‐type structure under high pressure have been investigated using first principles calculations based on density functional theory. Results indicate that the incompressibility along the c‐axis of TaC exceeds that of diamond under higher pressure. Particularly, an interesting point singularity exists in its mechanical properties as the pressure increases from 20 GPa to 40 GPa. The minimal shear modulus, Young's modulus, Debye temperature, and maximum Poisson ratio of TaC are simultaneously obtained at 28 GPa. The calculations of hardness indicate that the NiAs‐type TaC crystal possesses excellent mechanical properties. (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

InBO3 and ScBO3 at high pressures: An ab initio study of elastic and thermodynamic properties

We have theoretically investigated the elastic properties of calcite-type orthoborates ABO₃ (A=Sc and In) at high pressure by means of ab initio total-energy calculations. From the elastic stiffness coefficients, we have obtained the elastic moduli (B, G and E), Poisson's ratio (ν), B/G ratio, universal elastic anisotropy index (A_U), Vickers hardness, and sound wave velocities for both orthoborates. Our simulations show that both borates are more resistive to volume compression than to shear deformation (B>G). Both compounds are ductile and become more ductile, with an increasing elastic anisotropy, as pressure increases. We have also calculated some thermodynamic properties, like Debye temperature and minimum thermal conductivity. Finally, we have evaluated the theoretical mechanical stability of both borates at high hydrostatic pressures. It has been found that the calcite-type structure of InBO₃ and ScBO₃ becomes mechanically unstable at pressures beyond 56.2 and 57.7 GPa, respectively.     

Simple variational approach to the thermal properties of ionic crystals

The thermal properties of ionic crystals are analysed using the variational principle of classical statistical mechanics. The Einstein and Debye pictures of the lattice vibrations are adopted as trial Hamiltonians. No explicit calculation of the lattice spectrum is needed. The variational result for the thermal expansion in the Einstein picture is identical to that recently derived by Narayan and Ramaseshan by a physically motivated thermal force picture. The agreement with experimental values in the alkali halide family of crystals is surprisingly good, the root mean square error being about 14%. The parameters in the interionic potential used are obtained from the lattice spacings and compressibilities of the crystals and not from anharmonic properties. The Debye picture gives about equally good results for the thermal expansion, but better results for the thermal vibration amplitudes of the ions. It differs from the Einstein picture in incorporating correlated vibrations of atoms and in having an explicit Coulomb contribution to the thermal properties. It is suggested that the theory given in this paper has a useful role to play in studies of thermal expansion and phase stability for large families of ionic crystals when combined with semi-empirical theories.     

Electrical conductivity and thermal EMF of CsI at high pressures

Abstract

The pressure dependence of thermal EMF and the resistivity-temperature dependence of CsI has been measured at pressures 20-50 GPa. In CsI non-monotonous change of resistivity, thermal EMF and activation energy of charge carriers has been observed at pressures above 40 GPa. The sign of thermal EMF corresponds to the electron conductivity. At pressures below 47 GPa the resistivity-temperature dependence is of the type characteristic of non-degenerate semiconductors, at pressure above 49 GPa it is characteristic of degenerate semiconductors (or metals). The observed properties are connected probably with the continuous distortion of B2 to an hcp-like phase.     

High‐pressure Brillouin study of the elastic properties of rare‐gas solid xenon at pressures up to 45 GPa

The pressure dependences of three adiabatic elastic constants, adiabatic bulk modulus, refractive index, and elastic anisotropy, as well as Cauchy deviation of fcc solid Xe have been determined up to 10 GPa at 296 K by high‐pressure Brillouin scattering spectroscopy. The characteristics of elastic properties at high pressure of rare‐gas solid Xe are investigated by comparison with the previous studies on Ne, Ar, and Kr. Above 10 GPa, the occurrence of splitting in the Brillouin signals and the direction dependence of acoustic velocities for solid Xe clearly show partial phase transformation to the hcp structure reported by the previous X‐ray diffraction and Raman scattering studies. The shear elastic modulus in the hcp phase of solid Xe has also been estimated at pressures up to 45 GPa by using the pressure dependence of the Raman wavenumber shift for the E_2g mode. Copyright © 2008 John Wiley & Sons, Ltd.     

Thermo-and galvanomagnetic properties of lead chalcogenides at high pressures up to 20 GPa

The Nernst-Ettingshausen (NE) effect in the initial NaCl and high-pressure GeS phases was studied at a high pressure P for n-PdTe, p-PbSe, and p-PbS to estimate the mobility µ and the charge-carrier scattering parameter r. It was found that the transverse and longitudinal NE effects in PbTe and PbSe increase with pressure, indicating the transition to the gapless state near P≈3 GPa. The sign of the transverse NE effect changes because of the change in the electron scattering mechanism in the GeS phase. The experimentally observed weakening of the NE and magnetoresistance effects at high P gives evidence for the indirect energy gap E_g in the high pressure phases with GeS structure.     

Thermodynamics of ice at high pressures and low temperatures

A new equation of state of ice Ih recently proposed by Feistel and Wagner [J. Phys. Chem. Ref. Data 35 (2006) 1021-1047] is used to study the phenomena related to the equilibrium isentropic compression of an ice-water mixture and dynamic loading of solid ice. New results are presented concerning the properties of the new equation of state, equilibrium solid-liquid phase transitions and Hugoniots of low-temperature (100 K) and temperate (263 K) shock-compressed ice.     

Dielectric properties of side chain liquid crystalline elastomers: influence of crosslinking on side chain dynamics

Dielectric response, from 1 Hz to 10 MHz, of liquid crystalline side chain elastomers has been compared to the one of analogous uncrosslinked materials. Results are discussed in terms of mobility of the mesogens. Two different systems have been investigated: smectic A elastomers allow to determine the influence of crosslinking on the relaxation (i.e. the reorientation of the whole mesogen around the chain), a S _C ^* elastomer shows the drastic influence of the polymer network on the Goldstone mode. Received 12 October 1998     

Glassy properties of the relaxor ferroelectric strontium barium niobate at low temperatures

Relaxor ferroelectrics are known to show a low-temperature behaviour that quantitatively resembles the features of canonical glasses. In order to get a comprehensive characterisation of the responsible low-energy excitations, single crystals of strontium barium niobate were investigated below 10 K. The density of localised states was obtained from heat capacity, and their coupling to phonons from sound velocity and thermal conductivity. The presence of slowly relaxing systems could be estimated from heat release data, respectively.

In contrast with structural glasses, however, SBN and further relaxor ferroelectrics show an energy dependent density of states and an upper limit of the relaxation time spectrum. Considering these properties, which appear to be typical also for other glassy crystals, a modification of the standard tunneling model is proposed.