Search results for "thermal expansion"
showing 10 items of 101 documents
Thermal Expansion in Small Metal Clusters and its Impact on the Electric Polarizability
2000
The thermal expansion coefficients of $\mathrm{Na}_{N}$ clusters with $8 \le N \le 40$ and $\mathrm{Al}_{7}$, $\mathrm{Al}_{13}^-$ and $\mathrm{Al}_{14}^-$ are obtained from {\it ab initio} Born-Oppenheimer LDA molecular dynamics. Thermal expansion of small metal clusters is considerably larger than that in the bulk and size-dependent. We demonstrate that the average static electric dipole polarizability of Na clusters depends linearly on the mean interatomic distance and only to a minor extent on the detailed ionic configuration when the overall shape of the electron density is enforced by electronic shell effects. The polarizability is thus a sensitive indicator for thermal expansion. We …
Orthorhombic Phase of Crystalline Polyethylene: A Monte Carlo Study
1996
In this paper we present a classical Monte Carlo simulation of the orthorhombic phase of crystalline polyethylene, using an explicit atom force field with unconstrained bond lengths and angles and periodic boundary conditions. We used a recently developed algorithm which apart from standard Metropolis local moves employs also global moves consisting of displacements of the center of mass of the whole chains in all three spatial directions as well as rotations of the chains around an axis parallel to the crystallographic c-direction. Our simulations are performed in the NpT ensemble, at zero pressure, and extend over the whole range of temperatures in which the orthorhombic phase is experime…
Ab initiolattice dynamical studies of silicon clathrate frameworks and their negative thermal expansion
2014
The thermal and lattice dynamical properties of seven silicon clathrate framework structures are investigated with ab initio density functional methods (frameworks I, II, IV, V, VII, VIII, and H). The negative thermal expansion (NTE) phenomenon is investigated by means of quasiharmonic approximation and applying it to equal time displacement correlation functions. The thermal properties of the studied clathrate frameworks, excluding the VII framework, resemble those of the crystalline silicon diamond structure. The clathrate framework VII was found to have anomalous NTE temperature range up to 300 K and it is suitable for further studies of the mechanisms of NTE. Investigation of the displa…
Thermodynamic properties at the phase transition of Pb(Zr, Sn, Ti)O3solid solutions
2000
Abstract Field induced deformation and electrocaloric effect are investigated in the vicinity of phase transition at 163°C. The sharp increase of electrostriction below Tc is explained by the field induced ferroelectric to antiferroelectric phase transition. The antiferroelectric phase appears and remains stable below Tc in the absence of field. Elastic compliance and thermal expansion as functions of temperature are studied.
Phase transitions of Pb0.99Nb0.02(Zr0.75Sn0.20Ti0.05)O3ceramics
2001
Abstract The dielectric, elastic and electromechanical properties, electrocaloric effect and thermal expansion of poled and depoled Pb0.99Nb0.02(Zr0.75Sn0.20Ti0.05)O3 samples are presented to evaluate the nature of polar phases existing in the solid solution above room temperature. The Kittel's free energy expansion is used to explain some essential features of physical properties.
Anomalies in low-temperature lattice parameters of ErFeO3 and ErAlO3 single crystals: correlation with magnetic properties
2005
Abstract The paper presents the results of an experimental study of thermal expansion of isostructural orthorhombic ErFeO3 and ErAlO3 single crystals. Changes of lattice parameters have been investigated by X-ray measurements in the 10–300 K temperature range. Above ∼150 K, experimental results correspond well to the phonon mechanism. At low temperatures distinct anisotropic anomalies were observed in both compounds; and a correlation with the magnetic properties of the relevant ions is noted.
Vibrational properties of ZnTe at high pressures
2002
Raman spectra of ZnTe were measured under hydrostatic pressures up to 15 GPa at T = 300 K. Results for the frequencies of first- and second-order Raman features of the zincblende phase (0-9.5 GPa) are used to set up a rigid-ion model of the phonon dispersion relations under pressure. Calculated phonon densities of states, mode Gruneisen parameters and the thermal expansion coefficient as a function of pressure are discussed. The effect of pressure on the widths and intensities of Raman spectral features is considered. Raman spectra of high-pressure phases of ZnTe are reported. These spectra indicate the possible existence of a new phase near 13 GPa, intermediate between the cinnabar and ort…
X-ray investigation and discussion of the magnetostriction of Gd3T(T= Ni, Rh, Irx) single crystals
2000
The variations of the lattice parameters of Gd3T(T= Ni, Rh, Irx) single crystals with temperature were measured in the range 10–300 K. The compounds with Ni and Rh crystallize in the orthorhombic space groupPnma, but the compound with Ir crystallizes as Gd5Ir2in the monoclinic space groupA2/a. The three compounds exhibit an anomalous anisotropic spontaneous magnetostriction below the magnetic ordering temperature.
Simultaneous measurement of temperature and strain in glass fiber/epoxy composites by embedded fiber optic sensors: II. Post-cure testing
2007
In this paper the use of fiber optic sensors embedded into GFRP laminates for structural health monitoring of thermo-mechanical loads is presented. The proposed sensing system, consisting of two coupled fiber Bragg grating (FBG) sensors, allows the simultaneous measurement of both temperature and strain by decoupling the change in reflected wavelength induced by temperature variations from that induced by either mechanical or apparent strain, with significant advantages either for monitoring the composite cure kinetics, as described in the accompanying paper (Part I), or for assessing the structural response to thermo-mechanical loads. Both thermal ramp and mechanical static/dynamic bending…
Melting of tantalum at high pressure determined by angle dispersive x-ray diffraction in a double-sided laser-heated diamond-anvil cell
2003
The high pressure and high temperature phase diagram of Ta has been studied in a laser-heated diamond-anvil cell (DAC) using x-ray diffraction measurements up to 52 GPa and 3800 K. The melting was observed at nine different pressures, being the melting temperature in good agreement with previous laser-heated DAC experiments, but in contradiction with several theoretical calculations and previous piston-cylinder apparatus experiments. A small slope for the melting curve of Ta is estimated (dTm/dP = 24 K/GPa at 1 bar) and a possible explanation for this behaviour is given. Finally, a P-V-T equation of states is obtained, being the temperature dependence of the thermal expansion coefficient an…