Showing papers on "Thermal expansion published in 2012"

Two Decades of Negative Thermal Expansion Research: Where Do We Stand?

Abstract: Negative thermal expansion (NTE) materials have become a rapidly growing area of research over the past two decades. The initial discovery of materials displaying NTE over a large temperature range, combined with elucidation of the mechanism behind this unusual property, was followed by predictions that these materials will find use in various applications through controlled thermal expansion composites. While some patents have been filed and devices built, a number of obstacles have prevented the widespread implementation of NTE materials to date. This paper reviews NTE materials that contract due to transverse atomic vibrations, their potential for use in controlled thermal expansion composites, and known problems that could interfere with such applications.

PASCal: A principal-axis strain calculator for thermal expansion and compressibility determination

Abstract: We describe a web-based tool (PASCal; Principal Axis Strain Calculator) aimed at simplifying the determination of principal coefficients of thermal expansion and compressibilities from variable-temperature and variable-pressure lattice parameter data. In a series of three case studies, we use PASCal to re-analyse previously-published lattice parameter data and show that additional scientific insight is obtainable in each case. First, the two-dimensional metal-organic framework Cu-SIP-3 is found to exhibit the strongest area-negative thermal expansion (NTE) effect yet observed; second, the widely-used explosive HMX exhibits much stronger mechanical anisotropy than had previously been anticipated, including uniaxial NTE driven by thermal changes in molecular conformation; and, third, the high-pressure form of the mineral malayaite is shown to exhibit a strong negative linear compressibility (NLC) effect that arises from correlated tilting of SnO6 and SiO4 coordination polyhedra.

Biaxial compressive strain engineering in graphene/boron nitride heterostructures.

Abstract: Strain engineered graphene has been predicted to show many interesting physics and device applications. Here we study biaxial compressive strain in graphene/hexagonal boron nitride heterostructures after thermal cycling to high temperatures likely due to their thermal expansion coefficient mismatch. The appearance of sub-micron self-supporting bubbles indicates that the strain is spatially inhomogeneous. Finite element modeling suggests that the strain is concentrated on the edges with regular nano-scale wrinkles, which could be a playground for strain engineering in graphene. Raman spectroscopy and mapping is employed to quantitatively probe the magnitude and distribution of strain. From the temperature-dependent shifts of Raman G and 2D peaks, we estimate the TEC of graphene from room temperature to above 1000K for the first time.

Pseudonegative Thermal Expansion and the State of Water in Graphene Oxide Layered Assemblies

Abstract: Unraveling the complex interplay between thermal properties and hydration is a part of understanding thefundamentalproperties ofmanysoftmaterials andvery essentialformany applications. Here we show that graphene oxide (GO) demonstrates a highly negative thermal expansion (NTE) coefficient owing to unique thermohydration processes related with fast transportofwaterbetweentheGOsheets,theamphiphilicnatureofnanochannels,andcloseto-zero intrinsic thermal expansion of GO. The humidity-dependent NTE of GO layered assemblies, or “pseudonegative thermal expansion” (PNTE), differs from that of other hygroscopic materials due to its relatively fast and highly reversible expansion/contraction cycles and occurrence at low humidity levels while bearing similarities to classic NTE. Thermal expansion of polyvinyl alcohol/GO composites is easily tunable with additional intricacy of thermohydration effects. PNTE combined with isotropy, nontoxicity, and mechanical robustness is an asset for applications of actuators, sensors, MEMS devices, and memory materials and crucial for developing methods of thermal/photopatterning of GO devices.

Internal residual stresses in glass-ceramics: A review

Abstract: Internal residual stresses arise in glass-ceramics upon cooling down from the crystallization temperature. These stresses are due to the thermal expansion and the elastic mismatch between the crystalline and glassy phases. Therefore, the mechanical properties of glass-ceramics are likely to depend not only on their composition and microstructure but also on the type (tension or compression) and magnitude of these residual stresses. In this work, we critically review the most commonly used theoretical models concerning residual stresses in glass-ceramics and glass-matrix composites, taking into consideration the effects of crystallized volume fraction, crystal shape and thermal expansion anisotropy. We also discuss most of the reported measurements of residual stresses in these dual-phase materials using different techniques, such as X-ray diffraction, nuclear magnetic resonance, Raman and fluorescence spectroscopy, and indentation. The available models and experimental results regarding spontaneous microcracking due to residual stresses are also discussed. Finally, guidelines for future work are suggested.

A review of the processing, composition, and temperature-dependent mechanical and thermal properties of dielectric technical ceramics

Abstract: The current review uses the material requirements of a new space propulsion device, the Variable Specific Impulse Magnetoplasma Rocket (VASIMR®) as a basis for presenting the temperature-dependent properties of a range of dielectric ceramics, but data presented could be used in the engineering design of any ceramic component with complementary material requirements. A material is required for the gas containment tube (GCT) of VASIMR® to allow it to operate at higher power levels. The GCT’s operating conditions place severe constraints on the choice of material. An electrically-insulating material is required with a high-thermal conductivity, low-dielectric loss factor, and high-thermal shock resistance. There is a lack of a representative set of temperature-dependent material property data for materials considered for this application and these are required for accurate thermo-structural modelling. This modelling would facilitate the selection of an optimum material for this component. The goal of this article is to determine the best material property data values for use in the materials selection and design of such components. A review of both experimentally and theoretically determined temperature-dependent and room temperature properties of several materials has been undertaken. Data extracted are presented by property. Properties reviewed are density, Young’s, bulk and shear moduli, Poisson’s ratio, tensile, flexural and compressive strength, thermal conductivity, specific heat capacity, thermal expansion coefficient, and the factors affecting maximum service temperature. Materials reviewed are alumina, aluminium nitride, beryllia, fused quartz, sialon, and silicon nitride.

Bending modes, anharmonic effects, and thermal expansion coefficient in single-layer and multilayer graphene

Abstract: We present a simple analytical approach to study anharmonic effects in single-layer, bilayer, and multilayer graphene The coupling between in-plane and out-of-plane modes leads to negative Gr\"uneisen coefficients and negative thermal expansion The value of the thermal expansion coefficient depends on the coupling to the substrate The bending rigidity in bilayer graphene shows a crossover between a long wavelength regime where its value is determined by the in-plane elastic properties, and a short wavelength regime where its value approaches twice that of a single layer

Morphology-influenced thermal conductivity of polyethylene single chains and crystalline fibers

Abstract: In this paper, the thermal conductivities of polyethylene (PE) single chains and aligned crystalline fibers are calculated using molecular dynamics simulations with the condensed-phase optimized molecular potentials for atomistic simulation studies potential. The segment disorder along the PE chains is found to play an important role in thermal transport in both single PE chains and crystalline PE fibers. In a crystalline PE, thermal conductivity decreases as temperature increases since thermal expansion creates space for chain segment rotation. A critical temperature around 400 K is identified where thermal conductivity decreases by about 90%. The results show that chain morphology is critical to the thermal transport in PE structures.

Temperature dependent elastic constants and ultimate strength of graphene and graphyne.

Abstract: Based on the first principles calculation combined with quasi-harmonic approximation in this work, we focus on the analysis of temperature dependent lattice geometries, thermal expansion coefficients, elastic constants, and ultimate strength of graphene and graphyne. For the linear thermal expansion coefficient, both graphene and graphyne show a negative region in the low temperature regime. This coefficient increases up to be positive at high temperatures. Graphene has superior mechanical properties with Young's modulus E = 350.01 N/m and ultimate tensile strength of 119.2 GPa at room temperature. Based on our analysis, it is found that graphene's mechanical properties have strong resistance against temperature increase up to 1000 K. Graphyne also shows good mechanical properties with Young's modulus E = 250.9 N/m and ultimate tensile strength of 81.2 GPa at room temperature, but graphyne's mechanical properties have a weaker resistance with respect to the increase of temperature than that of graphene.

Electrical and thermophysical properties of ZrB2 and HfB2 based composites

Abstract: Electrical resistivities, thermal conductivities and thermal expansion coefficients of hot-pressed ZrB2–SiC, ZrB2–SiC–Si3N4, ZrB2–ZrC–SiC–Si3N4 and HfB2–SiC composites have been evaluated. Effects of Si3N4 and ZrC additions on electrical and thermophysical properties of ZrB2–SiC composite have been investigated. Further, properties of ZrB2–SiC and HfB2–SiC composites have been compared. Electrical resistivities (at 25 °C), thermal conductivities (between 25 and 1300 °C) and thermal expansion coefficients (over 25–1000 °C) have been determined by four-probe method, laser flash method and thermo-mechanical analyzer, respectively. Experimental results have shown reasonable agreement with theoretical predictions. Electrical resistivities of ZrB2-based composites are lower than that of HfB2–SiC composite. Thermal conductivity of ZrB2 increases with addition of SiC, while it decreases on ZrC addition, which is explained considering relative contributions of electrons and phonons to thermal transport. As expected, thermal expansion coefficient of each composite is reduced by SiC additions in 25–200 °C range, while it exceeds theoretical values at higher temperatures.

Crystal structure and ab initio calculations of CaZrO3

Abstract: Calcium zirconate (CaZrO 3 ), because of its high melting point, low thermal expansion coefficient, high strength and excellent corrosion resistance against alkali oxides, is a good candidate for a novel refractory material. CaZrO 3 is mostly synthesized by the reaction in the solid state but the material obtained in such a way often suffers low bulk density, high porosity and other defects which lower its potential application value. To overcome these obstacles a novel synthesis method by an electric arc melting technique was proposed. The crystal structure of melted CaZrO 3 was compared with a conventionally synthesized material. According to X-ray measurements the obtained material has an orthorhombic perovskite-like structure. Its stoichiometry was confirmed by the scanning electron microscope and EDS analysis. The material is almost poreless with its density close to theoretical. The estimated crystal structure parameters were used to calculate the electronic structure of CaZrO 3 using the full potential linear augmented plane wave (FLAPW) method. It has been found that CaZrO 3 is an insulator with the energy band gap of 4.1 eV. The Ca–O bond is typically ionic while Zr–O bond is of a significant covalent character.

Interfacial Effects During Thermal Cycling of Cu-Filled Through-Silicon Vias (TSV)

Abstract: Large shear stresses may develop at interfaces between dissimilar materials during thermal excursions when there is a significant difference in their coefficients of thermal expansion. The shear stress may cause interfaces to slide via diffusional process, thereby accommodating the relative dimensional changes between the two materials. This phenomenon presents a significant reliability issue in three-dimensional (3-D) interconnect structures involving through-silicon vias (TSVs), which are subjected not only to continuous thermal cycling but also to large electric current densities during service. This paper reports experimental evidence of interfacial sliding between Cu and Si in Cu-filled TSVs during thermal cycling conditions, and in the presence of electric current. Two different thermal cycling conditions were used: (i) small ΔT thermal cycling (−25°C to 135°C) and (ii) large ΔT thermal cycling (25°C to 425°C). Prior to thermal cycling, a few Cu-filled TSV samples were annealed for 30 min at 425°C. Cu intruded inside Si in nonannealed samples during small ΔT thermal cycling, whereas protrusion of Cu relative to Si occurred during all other thermal excursions. Application of electric current biased the net displacement of the Cu in the direction of electron flow, leading to enhanced protrusion (or intrusion) of Cu relative to the thermal cycling only (i.e., without electric current) condition. A simple one-dimensional analytical model and associated numerical simulations are utilized to rationalize the experimental observations.

Anisotropic Thermal and Chemical Expansion in Sr-Substituted LaMnO3+δ: Implications for Chemical Strain Relaxation

Abstract: The anisotropic thermal and chemical expansion of rhombohedral (R3 )L a 1−xSrxMnO3+δ (x = 0.2, 0.3) was investigated by in situ high temperature X-ray diffraction of submicrometer size powders in pure oxygen and nitrogen (inert) atmospheres. The thermal expansion of the long axis c was found to be close to twice as high as the thermal expansion of the short axis a. The large thermal expansion of the c-axis is caused by rectification of the antiferrodistortive tilting and decompression of the MnO6/2 octahedra. The unit cell parameters were shown to be strongly dependent on the partial pressure of oxygen, which was attributed to chemical expansion/ contraction due to reduction/oxidation of Mn. Anisotropic chemical expansion/ contraction was more pronounced for the unit cell parameter a than for c, and the chemical expansion/contraction was inferred to reflect the size of the MnO6/2 octahedra. The onset of chemical expansion in nitrogen and contraction in oxygen atmosphere during heating was discussed in terms of a gradual transformation from a nonequilibrium to an equilibrium point defect population in La1−xSrxMnO3+δ. Possible implications of slow relaxation of chemically induced stresses at the nanoscale and in epitaxial thin films are addressed. Finally, a second order phase transition from the ferroelastic (R3) to paraelastic state (Pm3) is reported for La0.7Sr0.3MnO3+δ at 850 ± 25 °C. The temperature of the phase transition decreases with increasing Sr content in La1−xSrxMnO3+δ.

Thermal Conductivity of Nanoparticles Filled Polymers

Abstract: Thermal conductivity of polymers is an important thermal property for both polymer applications and processing. Polymers typically have intrinsic thermal conductivity much lower than those for metals or ceramic materials, and therefore are good thermal insulators. Further enhancement of this thermal insulating quality can be achieved by foaming polymers. In other applications which require higher thermal conductivity, such as in electronic packaging and encapsulations, satellite devices, and in areas where good heat dissipation, low thermal expansion and light weight are needed, polymers reinforced with fillers, organic or inorganic, are becoming more and more common in producing advanced polymer composites for these applications (Hodgin & Estes, 1999; Tavman, 2004; Lee & Eun, 2004; Liu & Mather, 2004; Ishida & Heights, 1999; Frank & Phillip, 2002; Hermansen, 2001; Ishida, 2000). Most polymeric materials are processed and fabricated at elevated temperatures, often above their melting temperatures. This process may be long and expensive because of the low thermal conductivity of polymers. Subsequently, the cooling process or annealing may also be controlled by heat transport properties of polymers, which eventually affect the physical properties of the materials. One example is crystalline polymers, for which the structural and morphological features may be significantly changed with the speed of cooling. Careful consideration in designing polymer processing is vital to achieve desired properties.

Structure of magnetite (Fe 3 O 4 ) above the Curie temperature: a cation ordering study

Abstract: A pristine magnetite (Fe3O4) specimen was studied by means of Neutron Powder Diffraction in the 273–1,073 K temperature range, in order to characterize its structural and magnetic behavior at high temperatures. An accurate analysis of the collected data allowed the understanding of the behavior of the main structural and magnetic features of magnetite as a function of temperature. The magnetic moments of both tetrahedral and octahedral sites were extracted by means of magnetic diffraction up to the Curie temperature (between 773 and 873 K). A change in the thermal expansion coefficient around the Curie temperature together with an increase in the oxygen coordinate value above 700 K can be observed, both features being the result of a change in the thermal expansion of the tetrahedral site. This anomaly is not related to the magnetic transition but can be explained with an intervened cation reordering, as magnetite gradually transforms from a disordered configuration into a partially ordered one. Based on a simple model which takes into account the cation-oxygen bond length, the degree of order as a function of temperature and consequently the enthalpy and entropy of the reordering process were determined. The refined values are ΔH0 = −23.2(1.7) kJ mol−1 and ΔS0 = −16(2) J K−1 mol−1. These results are in perfect agreement with values reported in literature (Mack et al. in Solid State Ion 135(1–4):625–630, 2000; Wu and Mason in J Am Ceramic Soc 64(9):520–522, 1981).

Thermal expansion behavior of hollow glass particle/vinyl ester composites

Abstract: Ceramic particle-reinforced composites have better dimensional stability than the matrix polymer at high temperatures. In hollow-particle filled composites (syntactic foams), the coefficient of thermal expansion (CTE) can be controlled by two parameters simultaneously: wall thickness and volume fraction of particles, which are explored in this study. The CTE was experimentally measured to be up to 60.4 % lower than the matrix material with the addition of glass microballoons for the twelve compositions of syntactic foams characterized using a thermomechanical analyzer. The CTE values have a stronger dependence on particle volume fraction than the wall thickness within the range of parameters explored. The experimental trends are analyzed by using Turner’s and Kerner’s models modified for syntactic foams. The results from the modified Turner’s model show close correlation with the experimental values with a maximum difference of ±15 %. Parametric studies show that syntactic foams of a wide range of densities can be tailored to obtain the same CTE value. The experimental and theoretical results are helpful in developing syntactic foams with desired properties for thermal applications.