High-temperature corrosion caused by low-melting-point molten salts known as CMAS poses a critical challenge to hot-section components in gas turbine engines. The screening of CMAS corrosion-resistant RE₂SiO₅ ceramics is crucial for the development of environmental barrier coatings for SiC fiber reinforced SiC composites. Due to varying experimental methods, conditions, and CMAS corrosion evaluation approaches, there has been some controversy regarding the CMAS resistance of RE₂SiO₅ ceramics. To address this issue, we employed a highthroughput multilayer stacking method to eliminate external influences such as experimental conditions. The CMAS resistance of several rare earth silicate ceramics was investigated, which revealed the influence of rare earth elements on CMAS corrosion. It was found that the smaller the rare earth ionic radius, the less corrosion product formed. Additionally, Er₂SiO₅ exhibited the best CMAS resistance due to the shallowest penetration depth of CMAS. The results indicate that the evaluation of CMAS corrosion resistance of RE₂SiO₅ ceramics requires a comprehensive consideration of the formation ability of corrosion products, dissolution of RE₂SiO₅, and the penetration of CMAS.

Flexible piezoelectric composite (FPC) materials with strong designability are increasingly utilized in vibration control and structural health monitoring. The sensing and actuating performances of FPCs are directly affected by the several parameters, such as ceramic fiber volume fraction, flexible interdigitated electrode width, electrode spacing, and component thicknesses. These parameters should be optimized in order to make the tradeoff between the sensingactuation performance and the compliance. This study systematically explored the relationships between material properties (such as electrostrain coefficients, dielectric coupling coefficients, and compliance matrix) and component parameters. A representative volume element (RVE) model at the microscale was employed to investigate the electric field distribution and sensing/actuation effects of FPCs with varying parameter configurations under voltage excitation. This analysis identified optimal component parameter ratios for FPCs, providing a theoretical foundation for their design and fabrication. The study concluded that an FPC with a ceramic fiber volume fraction of 75%, electrode spacing of 0.1 mm, and electrode width of 0.01 mm achieves optimal sensing and actuation performance while maintaining good compliance. This research offers valuable insights for the development of flexible piezoelectric composites with tailored properties for advanced applications.

This study explored the prevention of mild steel (MS) corrosion in sulfuric acid through deployment of N, Ndibutylaniline (NNDBA) as an organic inhibitor. The inhibition efficacy was meticulously scrutinized using a blend of qualitative and quantitative methodologies. The gravimetric method was executed across a spectrum of NNDBA concentrations (10^-1M-10^-7M ) and temperatures, 298 K-328 K (with 10 K increments), facilitating an intricate kinetic and thermodynamic exploration of the inhibition mechanism. Adsorption isotherm analyses affirmed NNDBA's adherence to Langmuir's model, signifying a monolayer adsorption paradigm. The adsorption process was found to be spontaneous and thermodynamically favorable, predominantly governed by physisorption. Empirical data delineated an inverse relationship between temperature and inhibition efficiency, whereas an augmentation in NNDBA concentration bolstered corrosion resistance. Potentiodynamic Polarisation (PDP) confirmed that NNDBA is a mixed-type inhibitor with a maximum efficiency of 92.4%. Electrochemical Impedance Spectroscopy (EIS) measurements revealed a marked decrement in the double-layer capacitance at the Fe/H₂SO₄ interface, corroborating inhibitor adsorption. Notably, the lower value of the phase shift exponent n for NNDBA suggests increased surface heterogeneity due to inhibitor film formation. Scanning Electron Microscopy (SEM-2D) and Atomic Force Microscopy (AFM-3D) unveiled distinct morphological alterations indicative of surface passivation. Density functional theory (DFT) calculations provided insights into the electronic structure of NNDBA, revealing a highly negative E_HOMO , low E_LUMO , and a small ΔE(5.24eV), all suggesting strong reactivity and the formation of a stable metal-inhibitor complex. The mechanistic pathway and spatial orientation of the interaction between the NNDBA molecule and MS surface were explored through molecular dynamics simulation to gain insights into its inhibitory behavior. Thus, the theoretical insights harmonize with experimental findings, substantiating its efficacy as a potent corrosion mitigant.

In order to get a comprehensive understanding of the corrosion behaviour of mild steel (110) with alanine, arginine, cysteine, and tyrosine in gas and aqueous phases, a systematic theoretical study using MC simulation was conducted in the current investigation. Stronger interfacial spontaneous adsorption of amino acid molecules across the Fe (110) surface in the investigated environment is made possible by the more negative adsorption energy values found in the MC simulation. Effectively repelling the corrosive particles from the substrate and delaying their aggregation are the capabilities of four amino acids. The results of the MC simulation also show that, in order to stop corrosion, amino acid molecules replace any other ions or solvent water that had previously been adsorbed on the metal surface. The trend of tyrosine > cysteine > alanine > arginine is shown by the protection capacity derived from the MC simulation. Furthermore, the DFT studies demonstrate that, charge transfer takes place within the molecule based on the calculated E-HOMO and E-LUMO energies. When adsorbed onto a metal surface, heteroatoms like nitrogen, oxygen, and sulphur in an amino acid structure provide the stronger inhibition. The decreased HOMO-LUMO gap, indicating improved electronic contact with the Fe (110) surface. A greater reactivity and potential for electron transfer are suggested by the EHOMO and ELUMO values (EHOMO -19.71 eV for alanine, -16.83 for cysteine, -10.73 for arginine and -16.80 for tyrosine) and (ELUMO EHOMO -10.81 eV for alanine, -9.34 for cysteine, -2.69 for arginine and -9.06 for tyrosine) which are advantageous for adsorption onto the Fe ( 110 ) surface. Current study finds that, alanine, arginine, cysteine and tyrosine were emerging as a novel and effective and sustainable corrosion resistance agent for acid pickling and cleaning procedures. These outcomes may lead to the development of more and large-scale green inhibitors and a better understanding of their mechanisms for eco-friendly industrial processes.