Theoretical investigation of intrinsic point defects and the oxygen migration behavior in rare earth hafnates

In this work, the composition-dependent point defect types and formation energies of RE₂Hf₂O₇ (RE = La, Ce, Pr, Nd, Pm, Sm, Eu and Gd) as well as the oxygen diffusion behavior are systematically investigated by first-principles calculations. The possible defect reactions and dominant defect complexes under stoichiometric and non-stoichiometric conditions are revealed. It is found that O Frenkel pairs are the predominant defect in stoichiometric pyrochlore hafnates. Hf-RE cation anti-site defects, accompanied by RE vacancies and/or oxygen interstitials, are stable in the non-stoichiometric case of HfO₂ excess. On the other hand, RE-Hf anti-site defects together with oxygen vacancies and/or RE interstitials are preferable in the case of RE₂O₃ excess. The energy barriers for the migration along the V_O48f - V_O48f pathway of pyrochlore hafnates were calculated to be between 0.81 eV and 0.89 eV. Based on these results, a defect engineering strategy is proposed and the pyrochlore hafnates investigated here are predicted to exhibit potential oxygen ionic conductivity.     

Facial-sketch Synthesis: A New Challenge

Machine Intelligence Research - This paper aims to conduct a comprehensive study on facial-sketch synthesis (FSS). However, due to the high cost of obtaining hand-drawn sketch datasets, there is a...     

The Boundedness and the Global Mittag-Leffler Synchronization of Fractional-Order Inertial Cohen–Grossberg Neural Networks with Time Delays

Neural Processing Letters - The boundedness and the global Mittag-Leffler synchronization (GMLS) of fractional-order inertial Cohen–Grossberg neural networks (CGNNS) with time delays are...     

以新发展理念引领高校专业基础课教学改革

以“创新、协调、绿色、开放、共享”为内核的新发展理念，是对马克思主义发展理念的继承和发扬，极具时代精神，富含问题意识，为高校思想政治教育发展、教育教学改革实践提供了强大的理论支撑。本文以“通信原理”为例，阐述了新发展理念在课程改革中的思路和方法，实现了思想政治教育与专业基础课程有机融合，为深化高校教学改革、创新人才培养模式提供了思路。     

Low-Velocity Impact Damage Simulation of Biaxial Warp-Knitted Flexible Composite with Simplified Microstructure Model

Applied Composite Materials - In this paper, the low-velocity impact deformation behavior of biaxial warp-knitted flexible composite was investigated. A simplified finite element model (FEM) of the...     

Automated segmentation of brain tumor based on improved U-Net with residual units

Multimedia Tools and Applications - The study presents a new approach to automate segmentation of clinically significant brain tumor and, to a certain extent, addresses two major issues associated...     

Alkylated lignin with graft copolymerization for enhancing toughness of PLA

Journal of Materials Science - A green modification method for effectively enhancing toughness of PLA was established. Herein, alkaline lignin (LG) was firstly alkylated with dodecane, and then...     

Substrate temperature-controlled precursor reaction mechanism of PEALD-deposited MoOx thin films

Journal of Materials Science - Molybdenum oxide (MoOx) films had been grown by using plasma-enhanced atomic layer deposition (PEALD) with Mo(CO)6 precursor and O2 plasma reactant in a substrate...