New parameters of many-body potentials: studying the thermal and mechanical properties of noble metals

New parameters of nearest-neighbor EAM (1N-EAM), n-th neighbor EAM (NN-EAM), and the second-moment approximation to the tight-binding (TB-SMA) potentials are obtained by fitting experimental data at different temperatures. In comparison with the available many-body potentials, our results suggest that the 1N-EAM potential with the new parameters is the best description of atomic interactions in studying the thermal expansion of noble metals. For mechanical properties, it is suggested that the elastic constants should be calculated in the experimental zero-stress states for all three potentials. Furthermore, for NNEAM and TB-SMA potentials, the calculated results approach the experimental data as the range of the atomic interaction increases from the first-neighbor to the sixth-neighbor distance.

Double-ceramic-layer thermal barrier coatings of La2Zr2O7/YSZ deposited by electron beam-physical vapor deposition

Double-ceramic-layer(DCL) thermal barrier coatings (TBCs) of La2Zr2O7 (LZ) and yttria stabilized zirconia (YSZ) were deposited by electron beam-physical vapor deposition (EB-PVD). The composition, crystal structure, surface and cross-sectional morphologies and cyclic oxidation behavior of the DCL coating were studied. Both the X-ray diffraction (XRD) and thermogravimetric-differential thermal analysis (TG-DTA) prove that LZ and YSZ have good chemical applicability to form a DCL coating. The thermal cycling test at 1373 K in an air furnace indicates the DCL coating has a much longer lifetime than the single layer LZ coating. and even longer than that of the single layer YSZ coating. The failure of the DCL coating is a result of both the bond coat oxidation and the thermal strain between bond coat and ceramic layer generated by the thermal expansion mismatch.

Thermal barrier coating of lanthanum-zirconium-cerium composite oxide made by electron beam-physical vapor deposition

Lanthanum-zirconium-cerium composite oxide (La-2(Zr0.7Ce0.3)(2)O-7, LZ7C3) as a candidate material for thermal barrier coatings (TBCs) was prepared by electron beam-physical vapor deposition (EB-PVD). The composition, crystal structure, thermophysical properties, surface and cross-sectional morphologies and cyclic oxidation behavior of the LZ7C3 coating were studied. The results indicated that LZ7C3 has a high phase stability between 298 K and 1573 K, and its linear thermal expansion coefficient (TEC) is similar to that of zirconia containing 8 wt% yttria (8YSZ). The thermal conductivity of LZ7C3 is 0.87 W m(-1) K-1 at 1273 K, which is almost 60% lower than that of 8YSZ. The deviation of coating composition from the ingot can be overcome by the addition of excess CeO2 and ZrO2 during ingot preparation or by adjusting the process parameters.

The relationship between the thermal expansions and structures of ABO(4) oxides

The linear thermal expansion coefficients of ABO(4) compounds are determined and the expansion tendency is analyzed from the chemical bond viewpoint. All chemical bonds contributions are involved. The contributions from different chemical bonds are compared with each other and the origin of the expansion behavior of ABO(4) oxides is revealed that the A-O bonds expansions dominate the compound expansion. The calculated expansion coefficients agree satisfactorily with the experimental data. By analyzing the expansion regularity the range of the expansion coefficients can be qualified. The thermal expansion coefficients of some ABO(4) compounds having not been measured are predicted and discussed.

Thermal mechanical and dynamic mechanical property of biphenyl polyimide fibers

High-performance polyimide fibers possess man), excellent properties, e.g., outstanding thermal stability and mechanical properties and excellent radiation resistant and electrical properties. However, the preparation of fibers with good mechanical properties is very difficult. In this report, a biphenvl polyimide from 3,3',4,4'-biphenyltetracarboxylic dianhydride and 4,4'-oxydianiline is synthesized in p-chlorophenol by one-step polymerization. The solution is spun into a coagulation bath of water and alcohol via dry-jet wet-spinning technology. Then, the fibers are drawn in two heating tubes. Thermal gravimetric analysis, thermal mechanical analysis, and dynamic mechanical analysis (DMA) are performed to study the properties of the fibers. The results show that the fibers have a good thermal stability at a temperature of more than 400degreesC. The linear coefficient of thermal expansion is negative in the solid state and the glass transition temperature is about 265degreesC. DMA spectra indicate that the tandelta of the fibers has three transition peaks, namely, alpha, beta, and gamma transition. The alpha and gamma transition temperature, corresponding to the end-group motion and glass transition, respectively, extensively depends on the applied frequency, while the beta transition does not.

The thermal cycling behavior of Lanthanum-Cerium Oxide thermal barrier coating prepared by EB-PVD

Bulk material and coatings of Lanthanum-Cerium Oxide (La2Ce2O7) with a fluorite structure were studied as a candidate material for thermal barrier coating (TBC). It has been showed that such material has the properties of low thermal conductivity about four times lower than YSZ, the difference in the thermal expansion coefficient between La2Ce2O7 and bond coat is smaller than that of YSZ in TBC systems, high phase stability between room temperature and 1673 K, about 300 K higher than that of the YSZ. The coating prepared by electron beam physical vapor deposition (EB-PVD) showed that it has good thermal cycling behavior, implying that Such material can be a promising thermal barrier coating material. The deviation of coating composition from ingot can be overcome by the addition of excess La2O3 during ingot preparation and/or by adjusting the process parameters.

Neodymium-cerium oxide as new thermal barrier coating material

Neodymium-cerium oxide (Nd2Ce2O7) was proposed as a new thermal barrier coating material in this work. Monolithic Nd2Ce2O7 powder was prepared by the solid-state reaction at 1400 degrees C. The phase composition, thermal stability and thermophysical properties of Nd2Ce2O7 were investigated. Nd2Ce2O7 with fluorite structure was thermally stable in the temperature range of interest for TBC applications. The results indicated that the thermal expansion coefficient (TEC) of Nd2Ce2O7 was higher than that of YSZ (6-8 Wt-% Y2O3 + ZrO2) and even more interesting was the TEC change as a function of temperature paralleling that of the superalloy bond coat. Moreover, the thermal conductivity of Nd2Ce2O7 is 30% lower than that of YSZ, which was discussed based on the theory of heat conduction. Thermal barrier coating of Nd2Ce2O7 was produced by atmospheric plasma spraying (APS) using the spray-dried powder. The thermal cycling was performed with a gas burner test facility to examine the thermal stability of the as-prepared coating.

New double-ceramic-layer thermal barrier coatings based on zirconia-rare earth composite oxides

A series of La2O3-ZrO2-CeO2 composite oxides were synthesized by solid-state reaction. The final product keeps fluorite structure when the molar ratio Ce/Zr >= 0.7/0.3, and below this ratio only mixtures of La2Zr2O7 (pyrochlore) and La2O3-CeO2 (fluorite) exist. Averagely speaking, the increase of CeO2 content gives rise to the increase of thermal expansion coefficient and the reduction of thermal conductivity, but La-2(Zr0.7Ce0.3)(2)O-7 has the lowest sintering ability and the lowest thermal conductivity which could be explained by the theory of phonon scattering. Based on the large thermal expansion coefficient of La2Ce3.25O9.5, the low thermal conductivities and low sintering abilities of La2Zr2O7 and La-2(Zr0.7Ce0.3)(2)O-7, double-ceramic-layer thermal barrier coatings were prepared. The thermal cycling tests indicate that such a design can largely improve the thermal cycling lives of the coatings. Since no single material that has been studied so far satisfies all the requirements for high temperature thermal barrier coatings, double-ceramic-layer coating may be an important development direction of thermal barrier coatings.

用电子散斑干涉法测量材料热膨胀系数

利用双光束电子散斑干涉法(ESPI)对试件受热变形进行了实时观测,针对一次实验过程中得到的图片较多(300～500幅)的特点,在图像处理时摒弃了以往的手动识别等位移线的办法,用MATLAB语言编写了批处理程序,能够在采集的大量散斑图片中自动快速准确地标定等位移线.得到相应的位移和应变.并结合实时测量的温度值,获得了45钢和LY12铝合金在不同温升率下的热膨胀系数及其随温度的变化.实验结果表明,在涉及的温升率范围内,温升率的改变对材料热膨胀系数的影响不明显.材料的热膨胀系数随温度的升高略有上升.

Thermoelastic Stresses in SiC Single Crystals Grown by the Physical Vapor Transport Method

A finite element-based thermoelastic anisotropic stress model for hexagonal silicon carbide polytype is developed for the calculation of thermal stresses in SiC crystals grown by the physical vapor transport method. The composite structure of the growing SiC crystal and graphite lid is considered in the model. The thermal expansion match between the crucible lid and SiC crystal is studied for the first time. The influence of thermal stress on the dislocation density and crystal quality is discussed.

A Lennard-Jones Embedded-Atom Potential and Its Application to the Study of Melting

The nearest-neighbour Lennard-Jones potential from the embedded-atom method is extended to a form that includes more than nearest neighbours. The model has been applied to study melting with molecular dynamics. The calculated melting point, fractional volume change on melting, heat of fusion and linear coefficients of thermal expansion are in good agreement with experimental data. We have found that the second and third neighbours influence the melting point distinctly.

Low Temperature Properties of PI/SiO_2 Nanocomposite Films

In this paper, the mechanical properties of PI/Si_O, nanocomposite hybrid films with different silica doping levels are experimentally studied at low temperature. Experimental results show that the coefficient of thermal expansion (CTE) of the PI/Si_O, nanocomposite hybrid films gradually reduces when the ambiance temperature is decreased. At the liquid nitrogen temperature (77 K), the CTE value is about five times less than that at room temperature (287 K). The measured CTEs of hybrid films greatly decrease when doped with inorganic silica, especially when the silica doping level is more than 1 wt.%. However, too high silica contents (more than 10 wt.%) can cause problem to disperse effectively and the specimens become quite opaque. Experimental results also show that the effects of the pre-applied stress levels can be neglected on the CTE testing. When the ambient temperature changes from 287 to 77 K, the measured average values of the films' ultimate tensile strength (UTS) and Young's modulus increase about 60 and 90%, respectively, while the breaking elongation decreases about 42%.

Crack deflection at an interface between dissimilar elastic-materials

A crack intersecting an interface between two dissimilar materials may advance by either penetrating through the interface or deflecting into the interface. The competition between deflection and penetration can be assessed by comparison of two ratios: (i) the ratio of the energy release rates for interface cracking and crack penetration; and (ii) the ratio of interface to material fracture energies. Residual stresses caused by thermal expansion misfit can influence the energy release rates of both the deflected and penetrating crack. This paper analyses the role of residual stresses. The results reveal that expansion misfit can be profoundly important in systems with planar interfaces (such as layered materials, thin film structures, etc.), but generally can be expected to be of little significance in fiber composites. This paper corrects an earlier result for the ratio of the energy release rate for the doubly deflected crack to that for the penetrating crack in the absence of residual stress.

高分辨率光纤光栅温度传感器的研究

报道了一种具有高分辨率和高效且价廉的解调系统的光纤布拉格光栅(FBG)温度传感器。提出了光纤光栅的金属槽封装技术，以提高传感光栅的温度灵敏性。研究了金属槽封装光栅的温度灵敏性，理论分析和实验结果表明，封装光栅的温度灵敏系数比普通裸光栅提高了3．6倍。系统利用一长周期光栅(LPG)作为线性滤波器，宽带光源经此长周期光栅调制后入射到传感光栅，可解调布拉格传感光栅的波长位移。理论分析与实验结果一致，系统可达到的温度分辨率为0．02℃。

光纤光栅高温传感器的研究

提出了一种能够测量高温的光纤布拉格光栅（FBG）传感器结构。利用线膨胀系数和长度均不同的两种金属细杆和光纤布拉格光栅设计而成的传感头，能够将被测温度转化为光栅的应变，解调由应变引起的光栅波长漂移，即可得知待测的温度。目前在实验室实现了500℃的动态范围和1℃的温度分辨率，实验结果与理论分析一致。