Search for: All records

A series of perovskite oxides (Ln = La, Pr, Nd, Gd; A = Ba, Sr) was investigated to understand the effects of A-site cation size on oxygen vacancy formation. Quasirandom mixed structures were generated using Alloy Theoretic Automated Toolkit (ATAT), followed by density functional theory (DFT) calculations. While mixing the orthorhombic structures with the hexagonal AMnO3 structures leads to lattices and global symmetries closer to cubic, the average volume generally increases with the average ionic size, and the local bond and angles exhibit more variations due to A-site mixing. DFT calculations and a statistical model were combined to predict oxygen reduction abilities. Thermogravimetric analysis (TGA) provided experimental validation of these predictions by measuring changes in oxygen non-stoichiometry under controlled conditions. Both indicated that larger A-site ionic size differences lead to greater, consistent with the larger variation in local structures, and enhanced redox capabilities. This combined computational-experimental approach highlights the importance of local structure variation, instead of average properties, in A-site cation engineering to optimize perovskite oxides for different devices relying on oxygen vacancy redox activity. 

A new series of 20-component fluorite-based compositionally complex oxides (20CCFBOxNb/Ta) with the general chemical formula (15RE1/15)2x+1(Ce1/3Zr1/3Hf1/3)3-3x(Nb1/2Ta1/2)xO8-delta (0 <= x <= 1, where 15RE1/15 = La1/15Pr1/15Nd1/15Sm1/15Eu1/15Gd1/15Tb1/15Dy1/15Y1/15Ho1/15Er1/15Tm1/15Yb1/15Lu1/15Sc1/15) are synthesized. Despite that the Gibbs phase rule allows for the existence of up to 20 phases at the thermodynamic equilibrium, 17 of the 20CCFBOxNb/Ta compositions synthesized in this study all possess single ultrahigh-entropy phases in fluorite, pyrochlore, or weberite structure, as shown by X-ray diffraction (XRD). Only < 1 vol.% of secondary phases are observed in two compositions near the phase-transition points. With changing compositional variable x, this series of 20CCFBOxNb/Ta undergoes an abrupt fluorite-pyrochlore transition at x = ~0.27 and an abrupt pyrochlore-weberite transition at x = ~0.87. Careful characterization reveals abrupt changes of order parameters at both phase transitions. In addition, weberite short-range ordering can persist into the long-range pyrochlore phase, which leads to the lowest thermal conductivities. 

In order to achieve effective monitoring of concrete structures for sound structural health, the addition of carbon nanotubes (CNTs) into cementitious materials offers a promising solution for fabricating CNT-modified smart concrete with self-sensing ability. This study investigated the influences of CNT dispersion method, water/cement (W/C) ratio, and concrete constituents on the piezoelectric properties of CNT-modified cementitious materials. Three CNT dispersion methods (direct mixing, sodium dodecyl benzenesulfonate (NaDDBS) and carboxymethyl cellulose (CMC) surface treatment), three W/C ratios (0.4, 0.5, and 0.6), and three concrete constituent compositions (pure cement, cement/sand, and cement/sand/coarse aggregate) were considered. The experimental results showed that CNT-modified cementitious materials with CMC surface treatment had valid and consistent piezoelectric responses to external loading. The piezoelectric sensitivity improved significantly with increased W/C ratio and reduced progressively with the addition of sand and coarse aggregates. 

Fiber Bragg grating (FBG) sensors have been applied to assess strains, stresses, loads, corrosion, and temperature for structural health monitoring (SHM) of steel infrastructure, such as buildings, bridges, and pipelines. Since a single FBG sensor measures a particular parameter at a local spot, it is challenging to detect different types of anomalies and interactions of anomalies. This paper presents an approach to assess interactive anomalies caused by mechanical loading and corrosion on epoxy coated steel substrates using FBG sensors in real time. Experiments were performed by comparing the monitored center wavelength changes in the conditions with loading only, corrosion only, and simultaneous loading and corrosion. The theoretical and experimental results indicated that there were significant interactive influences between loading and corrosion for steel substrates. Loading accelerated the progress of corrosion for the epoxy coated steel substrate, especially when delamination in the epoxy coating was noticed. Through the real-time monitoring from the FBG sensors, the interactions between the anomalies induced by the loading and corrosion can be quantitatively evaluated through the corrosion depth and the loading contact length. These fundamental understandings of the interactions of different anomalies on steel structures can provide valuable information to engineers for better management of steel structures.