First principles based predictions of the toughness of a metal/oxide interface

We describe a first-principles-based strategy to predict the macroscopic toughness of a gamma-Ni(Al)/alpha-Al2O3 interface. Density functional theory calculations are used to ascertain energy changes upon displacing the two materials adjacent to the interface, with relaxation conducted over all atoms located within adjoining rows. Traction/displacernent curves are obtained from derivatives of the energy. Calculations are performed in mode I (opening), mode II (shear) and at a phase angle of 45 degrees. The shear calculations are conducted for displacements along < 110 > and < 112 > of the Ni lattice. A generalized interface potential function is used to characterize the results. Initial fitting to both the shear and normal stress results is required to calibrate the unknowns. Thereafter, consistency is established by using the potential to predict other traction quantities. The potential is incorporated as a traction/displacement function within a cohesive zone model and used to predict the steady-state toughness of the interface. For this purpose, the plasticity of the Ni alloy must be known, including the plasticity length scale. Measurements obtained for a gamma-Ni superalloy are used and the toughness predicted over the full range of mode mixity. Additional results for a range of alloys are used to demonstrate the influences of yield strength and length scale.

热障涂层皱曲现象的数值模拟研究

对装机使用后的热障涂层叶片进行观察,发现电子束物理气相沉积涂层和等离子喷涂涂层表面均出现皱曲,不同于通常意义上的陶瓷层/粘接层界面皱曲.为了解释这种皱曲伴生的涂层断裂以及与皱曲特征参数的关系,利用ANSYS进行了数值模拟,表明皱曲波长对涂层断裂位置产生影响.短波长时面层凹陷处等效应力更大,属危险点.长波长时面层凸起处应力更大,在面层/底层界面处属危险点.

EB-PVD热障涂层皱曲问题研究进展

热障涂层皱曲是指在高温循环载荷下陶瓷表层/粘结层界面甚至陶瓷层表面发生的凸起或凹陷现象。综合国内外最新的有关皱曲现象的报道,系统地介绍了电子束物理气相沉积(EB-PVD)热障涂层皱曲行为。综述了皱曲的特点、研究历史和研究进展,从微观机理、研究方法和皱曲对涂层性能影响3个方面进行了分析,指出了可行的研究发展方向。

Failure of the plasma-sprayed coating of lanthanum hexaluminate

Lanthanum magnesium hexaluminate (LaMgAl11O19, LMA) is an attractive material for thermal barrier coatings (TBCs), and the failure of its coating was studied in this work by thermal cycling, X-ray diffraction, dilatometric measurement and thermal gravimetric-differential thermal analysis. The dilatometric measurement indicates that even though the bulk material of LMA has a higher sintering-resistance than the typical TBC material, i.e. yttria-stabilized zirconia (YSZ), the plasma sprayed coating of LMA has two serious contractions due to the re-crystallization of LMA and phase transitions of alumina.

La-2(Zr0.7Ce0.3)(2)O-7 - A new oxide ceramic material with high sintering-resistance

Oxide ceramics with high sintering-resistance above 1473 K have very important applications in thermal barrier coatings (TBCs), catalytic combustion and high-temperature structural materials. Lanthanum zirconate (La2Zr2O7, LZ) is an attractive TBC material which has higher sintering-resistance than yttria stabilized zirconia (YSZ), and this property could be further improved by the proper addition of ceria.

Lanthanum zirconate ceramic toughened by BaTiO3 secondary phase

La2Zr2O7 (LZ) is a promising thermal barrier coating material for the high-temperature applications, which could be significantly toughened by the BaTiO3 piezoelectric phase incorporated into the matrix. The composites of xBaTiO(3)/(l-x)LZ (x=5, 10, 15, 20 vol%, LZ-x-BaTiO3) were densified by means of high-pressure sintering (HPS) under a pressure of 4.5 GPa at 1450 degrees C for 10 min, by which a high relative density above 93% could be obtained.

Sintering-resistant hollow fibers of LaMgAl11O19 prepared by electrospinning

Lanthanum magnesium hexaaluminate (LMA) is very important ceramic material for catalytic combustion of natural gas. The sintering-resistant hollow fibers of LMA with diameters ranging from 1 to 3 mu m were fabricated from alcoholic solutions containing polyvinyl pyrrolidone (PVP) and aqueous solution of lanthanum, magnesium and aluminum nitrates. The interaction between PVP and nitrates were studied by X-ray diffraction and Fourier transmission-infrared spectroscopy. The forming mechanism of hollow fibers and the sintering ability of hollow LaMgAl11O19 fibers were discussed.

Laser glazing of lanthanum magnesium hexaaluminate

Lanthanum magnesium hexaalumminate (LMA) is an important candidate for thermal barrier coatings due to its thermal stability and low thermal conductivity. On the other hand, laser glazing method can potentially make thermal barrier coatings impermeable, resistant to corrosion on the surface and porous at bulk. LMA powder was synthesized at 1600 degrees C by solid-state reaction, pressed into tablet and laser glazed with a 5-kW continuous wave CO2 laser.

Phase stability and thermophysical properties of neodymium cerium composite oxide

Nd2CexO3+2x (x = 2.25, 2.5, 2.75, 3.0) were synthesized by solid-state reaction, and their phase stabilities and thermophysical properties were investigated. The X-ray diffraction (XRD) results indicated that Nd2CexO3+2x with fluorite structure were stable after long-term annealing at 1673 K. They have higher thermal expansion coefficients (TECs) than yttria-stabilized zirconia (YSZ) which is the typical thermal barrier coating (TBC) material, especially the thermal expansion as a function of temperature is parallel to that of the nickel-based superalloy.

Effects of Y2O3 addition on the phase evolution and thermophysical properties of lanthanum zirconate

Lanthanum zirconate (La2Zr2O7, LZ) powders with the addition of various Y2O3 contents for potential thermal barrier coatings (TBCs) application were synthesized by solid-state reaction. The structure evolution, sintering-resistance and thermophysical properties of the synthesized powders and sintered ceramics were systematically studied. X-ray diffraction (XRD) results indicate that LZ containing 3-12 wt.% Y2O3 mainly keeps a pyrochlore-type structure, and two new phases of LaYO3 and Y0.18Zr0.82O1.91 are also detected. Raman spectra confirm that the higher the Y2O3 content, the easier is the formation of LaYO3.

Hot-corrosion behaviors of overlay-clad yttria-stabilized zirconia coatings in contact with vanadate-sulfate salts

A dense clad overlay with chemical inertness was achieved on top of the plasma-sprayed YSZ thermal barrier coatings by laser in order to protect them from hot-corrosion attack. The Al2O3-clad YSZ coating exhibited good hot-corrosion behavior in contact with salt mixture of vanadium pentoxide (V2O5) and sodium sulfate (Na2SO4) for a longtime of 100 h at 1173 K. The LaPO4-clad YSZ coating showed corrosion resistance inferior to the Al2O3-clad one. Yttria was leached from YSZ by reaction between Y2O3 and V2O5, which caused progressive destabilization transformation of YSZ from tetragonal (t) to monoclinic (m) phase. The chemical inertness of the clad layers and the restrained infiltration of the molten corrosive salts by the dense clad layers were primary contributions to improvement of the hot-corrosion resistances.

Influence of laser-glazing on hot corrosion resistance of yttria-stabilized zirconia TBC in molten salt mixture of V2O5 and Na2SO4

Plasma-sprayed 8YSZ (zirconia stabilized with 8 wt% yttria)/NiCoCrAlYTa thermal barrier coatings (TBCs) were laser-glazed using a continuous-wave CO2 laser. Open pores within the coating surface were eliminated and an external densified layer was generated by laser-glazing. The hot corrosion resistances of the plasma-sprayed and laser-glazed coatings were investigated. The two specimens were exposed for the same period of 100 h at 900 degrees C to a salt mixture of vanadium pentoxide (V2O5) and sodium sulfate (Na2SO4). Serious crack and spallation occurred in the as-sprayed coating, while the as-glazed coating exhibited good hot corrosion behavior and consequently achieved a prolonged lifetime. The results showed that the as-sprayed 8YSZ coating achieved remarkably improved hot corrosion resistance by laser-glazing.

Partial Evaporation of Strontium Zirconate During Atmospheric Plasma Spraying

Perovskite-type SrZrO3 has been investigated as a candidate material for thermal barrier coating application. During plasma spraying of SrZrO3, SrO volatilized more than ZrO2 and the coating composition deviates from initial stoichiometry. In this investigation, partial evaporation was investigated by spraying SrZrO3 powders into water. The influences of spraying current, distance and particle size of the powder on the partial evaporation were also investigated in a quantitative way. With optimized spraying parameters, stoichiometric SrZrO3 coating was produced by adding an excess amount of Sr in the precursors before plasma spraying to compensate for the volatilized component.

Preparation and characterization of La2Zr2O7 coating with the addition of Y2O3 by EB-PVD

Thermal barrier coatings (TBCs) of La2Zr2O7 (LZ) with the addition of 3 wt.% Y2O3 (LZ3Y) were deposited by electron beam-physical vapor deposition (EB-PVD). The phase stabilities, thermophysical and mechanical properties, and chemical compositions of these ceramics and coatings were studied in detail. The phase stability and thermal expansion behavior of LZ3Y bulk material are identical to those of LZ bulk material, but the mechanical properties of the former are superior to those of the latter. Elemental analysis and X-ray diffraction indicate that compositional deviation of LZ coating can be optimized after doping by 3 wt.% Y2O3, Y2O3 acts as a dopant as well as a process regulator. The optimal composition of LZ3Y coating could be effectively achieved by the addition of excess Y2O3 into the ingot and by properly controlling the current of electron beam (i.e. similar to 650 mA).