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13 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Yb2Si2O7 by Materials Project

Yb2Si2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Yb3+ is bonded to six O2- atoms to form distorted YbO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with three equivalent YbO6 octahedra. There are two shorter (2.30 Å) and four longer (2.35 Å) Yb–O bond lengths. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with six equivalent YbO6 octahedra and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 47–57°. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Yb3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Yb3+ and one Si4+ atom.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Foreign Object Damage in a Yb2Si2O7 Environmental Barrier Coating

Foreign object damage (FOD) is one of the key damage/failure modes in environmental barrier coatings (EBCs) developed for gas turbine engines. A limiting factor of EBC development is the growth of a SiO2 thermally grown oxide (TGO) layer which exacerbates spallation. While there has been extensive research on FOD in metals, ceramics, and ceramic matrix composites (CMCs), there is a limited understanding of the effects of FOD in EBC systems. Previous work studied the effects of TGO growth on FOD in NASA’s Generation II Ytterbium Disilicate EBC. Recently, it has been shown that the addition of oxide modifiers to the Ytterbium Disilicate EBC resulted in significant reduction in TGO growth. The present work will compare FOD in a modified Ytterbium Disilicate EBC to that of the baseline Ytterbium Disilicate EBC. FOD testing was conducted on both as-processed and steam cycled samples at room temperature using a 1.59mm steel ball projectile with particle velocities ranging from 50–300 m/s at a normal incidence angle. The impact damage was characterized by optical profilometry and scanning electron microscopy (SEM) of the cross-sections.

Leland Hoffman↗
NASA NTRS2021

Thermal Expansion Coefficients of Ca2Y8(SiO4)6O2 and Ca2Yb8(SiO4)6O2 Apatite-type Silicates

High temperature X-ray diffraction (XRD) scans of Y2Si2O7 and Yb2Si2O7 reactions with calcium-magnesium-aluminosilicates (CMAS) were utilized to determine thermal expansion coefficients (CTEs) of Ca2Y8(SiO4)6O2 and Ca2Yb8(SiO4)6O2 apatite materials. In order to validate these measurements, the CTEs of Y2Si2O7, Yb2Si2O7 and SiO2 were also determined from the same scans. The directional CTEs for γ-Y2Si2O7 were determined to be αa=5.84×10-6/K, αb=6.81×10-6/K and αc=0.81×10-6/K, and β-Yb2Si2O7 was determined to have values of αa=6.89×10-6/K, αb=4.81×10-6/K and αc=2.78×10-6/K. The average CTEs of γ-Y2Si2O7 and β-Yb2Si2O7 were determined to be 4.5×10-6/K and 4.7×10-6/K, respectively, which agreed with previous analyses. Ca2Y8(SiO4)6O2 exhibited directional CTEs of αa=9.36×10-6/K and αc=7.95×10-6/K (averaged between two sets of data), whereas Ca2Yb8(SiO4)6O2 had values that were very similar (αa=9.63×10-6/K, αc=7.45×10-6/K). Both results for the Ca2RE8(SiO4)6O2 apatites correlated well with the limited data on apatite-type silicates available in literature.

rare earth↗
NASA NTRSDate not supplied

Evaluation of Particle Degradation of a Ytterbium Disilicate Gas Turbine Coating in a Combustion Environment

Ytterbium disilicate (Yb2Si2O7) is a state-of-the-art topcoat material used in environmental barrier coatings (EBCs) to protect SiC-SiC composites from water vapor corrosion in gas turbine engines. However, it’s degradation by thermochemical and thermomechanical particle interactions may limit its use in next generation engine systems. Several static furnace tests have been performed on Yb2Si2O7 to elucidate methods of degradation, although dynamic testing in an engine-relevant environment has not been carried out. Ultimately, testing and evaluation of materials that incorporates all environmental damage modes will allow for an accurate assessment of long-term durability and operating lifetime. This work details the investigation of particle-induced erosion and corrosion of Yb2Si2O7 in NASA Glenn’s Erosion Burner Rig Facility. Coating durability was investigated as a function of test temperature, particle size, and deposition rate. Thermal cycling was also incorporated into testing to determine the interplay of heating/cooling cycles with particle degradation. Overall, these analyses will be used to determine coating robustness in an engine relevant environment.

Jamesa L Stokes↗
NASA NTRSDate not supplied

Evaluation of Particle Degradation of a Ytterbium Disilicate Gas Turbine Coating in a Combustion Environment

Ytterbium disilicate (Yb2Si2O7) is a state-of-the-art topcoat material used in environmental barrier coatings (EBCs) to protect SiC-SiC composites from water vapor corrosion in gas turbine engines. However, it’s degradation by thermochemical and thermomechanical particle interactions may limit its use in next generation engine systems. Several static furnace tests have been performed on Yb2Si2O7 to elucidate methods of degradation, although dynamic testing in an engine-relevant environment has not been carried out. Ultimately, testing and evaluation of materials that incorporates all environmental damage modes will allow for an accurate assessment of long-term durability and operating lifetime. This work details the investigation of particle-induced erosion and corrosion of Yb2Si2O7 in NASA Glenn’s Erosion Burner Rig Facility. Coating durability was investigated as a function of test temperature, particle size, and deposition rate. Thermal cycling was also incorporated into testing to determine the interplay of heating/cooling cycles with particle degradation. Overall, these analyses will be used to determine coating robustness in an engine relevant environment.

Jamesa L Stokes↗
NASA NTRS2019

Thermochemistry of Protective Coatings and Molten Silicate Debris

The durability of gas-turbine engine components can be significantly affected by the ingestion of siliceous particles, which can melt at high temperature and corrode protective coatings that are essential for long life requirements. The silicate debris consists mainly of CaO-MgO-Al2O3-SiO2 (CMAS) and is usually ingested by aircraft engines during and after take-off, sticking to their hot surfaces and resulting in the formation of calcium rare-earth silicate oxyapatites. The thermochemistry of coatings and their reaction products with molten silicate debris are crucial to understand in order to improve the durability of gas-turbine engines. Here we discuss results of high temperature drop solution calorimetry, drop-and-catch calorimetry (DnC) and differential thermal analysis (DTA) techniques for the thermodynamic properties of both thermal barrier coatings (TBCs) and environmental barrier coatings (EBCs) and their reaction with CMAS compositions. The enthalpies of solution of Y2Si2O7, Yb2Si2O7, 31YSZ, and 16RESZ based coatings and the oxyapatite are moderately positive. However, oxyapatite formation is only favorable over coating dissolution in terms of enthalpy for 7YSZ. The enthalpies of mixing between the coatings and the molten silicate are less exothermic for Yb2Si2O7 and CaYb4Si3O13 than for 7YSZ, indicating lower energetic stability of the latter against molten silicate corrosion. We also report for the first time the calorimetric measurements of the enthalpies of formation of rare-earth silicate based EBC coatings and oxyapatites (rare-earth, RE = Y, Yb, Gd, Dy, Er, Nd and Sm).

Costa, Gustavo↗
DOE OSTI2024

Accelerated Design of Cost-Effective Thermal/Environmental Barrier Coatings based on High-Entropy Rare Earth Disilicates: A First-Principles Study

This project aims to design cost-effective thermal/environmental barrier coatings (TEBC) based on high entropy rare earth disilicates to protect SiC-based ceramic matrix composites from chemical and thermal attack for better performance of components in the hot section of gas turbine engines. To accelerate the alloy design, we utilize first-principles density functional theory (DFT) together with combinatorial chemistry methodology to predict key properties including phase stability, apparent bulk coefficient of thermal expansion (ABCTE), intrinsic lattice thermal conductivity, and temperature-dependent elastic constants. Specifically, this project focuses on β-RE2Si2O7 (RE=Yb, Y, Er, Lu, La, Ce,) with β-Yb2Si2O7 and β-Y2Si2O7 as the benchmark. Our DFT calculations predict that Er1/4Lu1/4Y3/4Yb3/4Si2O7 and Er1/2Lu1/2Y1/2Yb1/2Si2O7 have ultralow lattice thermal conductivity < 0.23 W/m/K at 1500 K and a good match of average ABCTE (5.1 - 5.2×10-6 K-1) with SiC. Owing to the low cost and abundant supply of Ce and La, the A- and G-La2Si2O7/Ce2Si2O7 disilicates are also studied. Our study shows that G-phase Ce2Si2O7 has an ultralow thermal conductivity (0.26 W/m/K at 1500 K) and the apparent bulk ABCTE (≈6.9×10-6 K-1) slightly higher than SiC, demonstrating great potential as low-cost high-performance T/EBC. However, La2Si2O7 and Ce2Si2O7 undergo an A-phase to G-phase polymorphic transition at around 1470 K.

environmental barrier coatings↗
NASA NTRS2015

Kinetic Monte Carlo Simulation of Oxygen Diffusion in Ytterbium Disilicate

Silicon-based ceramic components for next-generation jet turbine engines offer potential weight savings, as well as higher operating temperatures, both of which lead to increased efficiency and lower fuel costs. Silicon carbide (SiC), in particular, offers low density, good strength at high temperatures, and good oxidation resistance in dry air. However, reaction of SiC with high-temperature water vapor, as found in the hot section of jet turbine engines in operation, can cause rapid surface recession, which limits the lifetime of such components. Environmental Barrier Coatings (EBCs) are therefore needed if long component lifetime is to be achieved. Rare earth silicates such as Yb2Si2O7 and Yb2SiO5 have been proposed for such applications; in an effort to better understand diffusion in such materials, we have performed kinetic Monte Carlo (kMC) simulations of oxygen diffusion in Ytterbium disilicate, Yb2- Si2O7. The diffusive process is assumed to take place via the thermally activated hopping of oxygen atoms among oxygen vacancy sites or among interstitial sites. Migration barrier energies are computed using density functional theory (DFT).

Computer Simulation↗
NASA NTRS2021

Solid Particle Erosion of a Plasma Spray – Physical Vapor Deposition Environmental Barrier Coating in a Combustion Environment

Environmental barrier coatings (EBCs) were developed to reduce the susceptibility of SiC-based composites to the rapid volatilization and surface recession that occurs in the presence of water vapor. Extensive research and development has been performed on EBCs, and their corresponding failure mechanisms under different environmental conditions. However, one key failure mechanism, solid particle erosion (SPE), has not been thoroughly investigated. As a result, the present work investigates the SPE behavior of a ytterbium disilicate (Yb2Si2O7) environmental barrier coating (EBC) deposited via plasma spray-physical vapor deposition (PS-PVD). Erosion testing was performed at elevated temperature (1,200 °C) in a simulated combustion environment at the NASA Glenn Research Center Erosion Burner Rig Facility. Alumina (Al2O3) particles were used as the eroding media. A range of particle kinetic energies and impingement angles were investigated along with the effect of coating surface roughness. The post-erosion damage morphology was characterized using scanning electron microscopy (SEM). The SPE behavior of the PS-PVD EBC was shown to be comparable to other EBC systems reported in the literature.

Solid particle erosion; environmental barrier coat↗
NASA NTRSDate not supplied

A Machine Learning-Derived Atomistic Potential for Y2Si2O7

Incorporation of SiC/SiC ceramic matrix composite (CMC) hot section components into aircraft engines promises to increase efficiency and safety. However, SiC/SiC CMCs are subject to water vapor-induced oxidation and recession at the high temperatures of engine operation, and thus environmental barrier coatings (EBCs) are required to reduce this degradation and enable their widespread adoption. An understanding of EBCs failure mechanisms, including thermochemical and thermomechanical mechanisms, is essential as coating degradation leads to reduced CMC component service life. Computational modeling approaches can provide insight into EBC material properties important for coating design. However, density functional theory (DFT) is computationally expensive and atomistic potentials are lacking for materials of interest. In this work, we utilize a machine learning approach and DFT training data to parameterize atomistic potentials for two candidate EBC materials, Y2Si2O7 and Yb2Si2O7. These potentials enable near DFT-accurate calculations of thermodynamic and thermomechanical properties essential to EBC design.

Cameron J Bodenschatz↗
NASA NTRSDate not supplied

Thermochemical/Thermomechanical Synergies in High Temperature Solid Particle Erosion of CMAS-Exposed EBCs

Environmental barrier coatings (EBCs) are an enabling technology for the use of SiC-based ceramic matrix composites in next generation gas turbine engines. In the extreme engine environment, EBCs must be able to withstand a variety of individual damage mechanisms and their interactions with each other. Ingested particulates/debris can cause both thermochemical and thermomechanical degradation of EBCs. Siliceous debris primarily based on calcium magnesium aluminosilicates (CMAS) can melt and infiltrate and/or react with EBCs above >1200°C. Similarly, ingested debris can lead to mechanical damage and recession of coatings due to particulate erosion. Both modes of degradation can occur simultaneously during engine operation, and it is crucial to comprehensively understand the mechanisms of coating failure due to high-temperature particulate interactions. This study assesses the erosion durability of Yb2Si2O7-based EBCs exposed to CMAS of various loads in NASA Glenn’s Erosion Burner Rig Facility. CMAS exposures and erosion testing were carried out at 1316°C. The effects of CMAS loading and exposure time on EBC erosion durability were evaluated using Al2O3 as an erodent material.

EBC↗
NASA NTRSDate not supplied

Exploring the Effect of EBC Composition on CMAS Wetting Behavior

Rare-earth disilicate (REDS) materials are existing materials used in environmental barrier coating (EBC) for the protection of structural materials in the hot-section of turbine engines. REDS interactions with molten calcium-magnesium-aluminosilicate (CMAS) debris are of interest to understand molten CMAS attack and improve CMAS mitigation strategies. This work assesses the effect of REDS composition on CMAS wetting by investigating wetting angle, spreading, and reactivity. Freestanding atmospheric plasma spray (APS) REDS coatings (for RE = Y, La, Nd, Gd, Yb, Lu) were exposed to 10 mg of CMAS (Ca33-Mg9-Al13-Si45 in single cation mol%) in stagnant lab air at 1250C. APS YbDS was compared to a dense spark plasma sintered (SPS) phase-pure Yb2Si2O7 and a nominal 20 vol% phase-mixture of Yb 2 SiO 5 in Yb 2 Si 2 O 7 (20YbMS/YbDS). CMAS mass was held constant but specimen surface areas varied, yielding a range of loading between ~6 and 10 mg/cm2. CMAS was loaded as a cylindrical rod atop the specimen surface, polished to 4000 grit, and heated to temperature in a Linseis L74/HS/1700 heating microscope. The heating microscope measured the evolution of molten CMAS diameter, height, and contact angle. Molten CMAS diameter at 1150C and contact angle measurements after two hours of exposure at 1250C yielded a positive trend with rare-earth cation size. There was no statistically significant difference in CMAS wetting behavior between SPS YbDS and 20YbMS/YbDS. Post-exposure specimens were examined in plan view and cross-section with XRD, SEM, and EDS. CMAS spreading was cross-examined using plan view SEM, while reactivity utilized plan view XRD and cross-sectional SEM/EDS.

Clark Luckhardt↗