Search results for "thermal expansion"
showing 10 items of 101 documents
Study of High-Temperature Behaviour of ZnO by Ab Initio Molecular Dynamics Simulations and X-ray Absorption Spectroscopy
2021
Wurtzite-type zinc oxide (w-ZnO) is a widely used material with a pronounced structural anisotropy along the c axis, which affects its lattice dynamics and represents a difficulty for its accurate description using classical models of interatomic interactions. In this study, ab initio molecular dynamics (AIMD) was employed to simulate a bulk w-ZnO phase in the NpT ensemble in the high-temperature range from 300 K to 1200 K. The results of the simulations were validated by comparison with the experimental Zn K-edge extended X-ray absorption fine structure (EXAFS) spectra and known diffraction data. AIMD NpT simulations reproduced well the thermal expansion of the lattice, and the pronounced …
Role of coefficient of thermal expansion on bond strength of ceramic veneered yttrium-stabilized zirconia
2017
Background Incompatible coefficient of thermal expansion (CTE) is supposed to be a reason for chipping of ceramic veneered zirconia. This study evaluates the effect of veneering ceramic at varied CTE on bond strength to zirconia. Material and Methods Zirconia disks (Z, O 10 mm, 1.0 mm thickness) were prepared from Y-TZP (Cercon®) and sintered at 1350°C for 6 hours. All zirconia disks were veneered with ceramics ((O 7.0 mm, 1.5 mm thickness) with varied CTE including VITADur® alpha (VDα), VITAVM®7 (VM7), VITAVM®9 (VM9), Cercon® ceramkiss (CCK), IPSe.max® ceram (IeC), and IPS dSIGN® (IdS) (n=15). The specimens were thermo-cycled (5-55 °C, 500 cycles) prior to determine the shear bond strength…
X-ray absorption spectroscopy study of local dynamics and thermal expansion in ReO3
2015
The thermal expansion of polycrystalline ${\mathrm{ReO}}_{3}$ is studied in vacuum by x-ray diffraction from 300 to 600 K and by extended x-ray absorption fine structure (EXAFS) at the Re ${L}_{3}$ edge from 30 to 600 K. A detailed EXAFS analysis is presented up to the sixth coordination shell around Re. The crystal thermal expansion is weak throughout the explored range, negative below 100 K, positive from 150 to 500 K, and negative again above 500 K. The analysis of mean square relative displacements obtained by EXAFS and of mean square displacements available from x-ray and neutron diffraction measurements confirms the presence of significant static disorder in the investigated samples. …
Thermo-mechanical volume change behaviour of Opalinus Clay
2016
The paper examines the thermo-mechanical volume change behaviour of Opalinus Clay in relation to different stress conditions and overconsolidation ratio (OCR) values and evaluates the impact of temperature on some hydro-mechanical properties of this material. To this aim, a focused experimental campaign consisting in high-temperature/high-pressure oedometric tests has been carried out. The results show that the thermo-mechanical volume change behaviour of Opalinus Clay is heavily affected by the OCR: thermal expansion is found when the heating is carried out at high OCR, whereas irreversible thermal compaction is observed when heat is applied at a vertical effective stress that is sufficien…
Micromechanical approach of the high temperature oxidation of zirconium: study of the Zr/ZrO2 interfacial epitaxy with Bollmann's method
1997
The method of Bollmann has been used to determine the role of epitaxy in the formation of the mechanical stress field near the metal/oxide interface during the high temperature oxidation of zirconium. The strains due to epitaxy combine with those due to both oxygen diffusion in metal and thermal expansion of the metal/oxide composite in a model based on a micromechanical formalism. The calculated values are compared to experimental results and the applicability of Bollmann's method to this problem is discussed.
Cooperative High-Temperature Spin Crossover Accompanied by a Highly Anisotropic Structural Distortion
2016
Spin transitions are a spectacular example of molecular switching that can provoke extreme electronic and structural reorganizations in coordination compounds. A new 3D cyanoheterometallic framework, [Fe(pz)(Au(CN)2)2], has been synthesized in which a highly cooperative spin crossover has been observed at 367 and 349 K in heating and cooling modes, respectively. Mössbauer spectroscopy revealed a complete transition between the diamagnetic and paramagnetic states of the iron centres. The low-spin-to-high-spin transition induced a drastic structural distortion involving a large one-directional expansion (ca. 10.6%) and contraction (ca. 9.6%) of the lattice. Negative thermal expansion along th…
A Quantitative Analysis of the Thermoelastic Effect in CFRP Composite Materials
2010
: In this study the thermoelastic signal from carbon fibre-reinforced plastic (CFRP) laminates is investigated. A comparison between the theoretical and experimental values of the thermoelastic signal is reported, with the theoretical predictions obtained from two different quantitative models. These models are based on the classic thermoelastic effect law extended to the case of orthotropic materials (by using the mesomechanical or bulk approach), and the modified law assuming that the surface resin-rich layer behaves as a strain witness of the laminate. It is found that the theoretical predictions of the two models can be strongly and differently influenced by the intrinsic orthotropy of…
Dependence of Coefficient of volumetric thermal expansion (CVTE) of glass fiber reinforced (GFR) polymers on the glass fiber content
2007
In a Glass Fiber Reinforced (GFR) polymer, the coefficient of volumetric thermal expansion CVTE (determined as a sum of the coefficients of linear thermal expansion CLTE’s for the three principal directions) is sometimes much smaller than the value predictable on the basis of well acquainted models, such as Chow model, taking into account fibers anisotropy and aspect ratio.
3D Metamaterials with Negative Thermal Expansion and Negative Effective Compressibility
2018
Materials with negative thermal expansion are desired for controlling thermal stresses, but unusual in nature. With two-component metamaterials it is possible to tune the thermal expansion from positive over zero to negative values, even if both components have positive thermal expansion. Using gray-tone laser lithography we fabricate three-dimensional two-component polymer microlattices, exhibiting zero or negative thermal expansion [1].
Molecular motion, thermal expansion, and phase transitions in paraffins: A model for polymers
2007
Owing to their simple chemical structure paraffins are generally regarded as representing a system which is especially suitable for a model study of the thermal behavior of oligomeric and polymeric solids. Extensive investigations on the properties of n-tritriacontane (C33H68) provide an example. For this system an identification of several types of motional mechanisms become possible. Their presence leads to peculiarities in the thermal expansion and to the occurrence of solid-solid phase transitions. Paraffins and polyethylene exhibit a marked anisotropy in the lateral thermal expansion. An analysis of the molecular background can be based on a modified Gruneisen theory which connects exp…