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.     

Elastic Properties and Stacking Fault Energies of Borides,Carbides and Nitrides from First-Principles Calculations

Owing to the excellent elastic properties and chemical stability, binary metal or light element borides, carbides and nitrides have been extensively applied as hard and low-compressible materials. Researchers are searching for harder materials all the time. Recently, the successful fabrication of nano-twinned cubic BN(Tian et al. Nature 493:385–388, 2013) and diamond(Huang et al. Nature 510:250–253, 2014) exhibiting superior properties than their twin-free counterparts allows an efficient way to be harder. From this point of view, the borides, carbides and nitrides may be stronger by introducing twins, whose formation tendency can be measured using stacking fault energies(SFEs). The lower the SFEs, the easier the formation of twins. In the present study, by means of first-principles calculations, we first calculated the fundamental elastic constants of forty-two borides, seventeen carbides and thirty-one nitrides, and their moduli, elastic anisotropy factors and bonding characters were accordingly derived. Then, the SFEs of the {111} 112 glide system of twenty-seven compounds with the space group F43 m or Fm3m were calculated. Based on the obtained elastic properties and SFEs, we find that(1) light element compounds usually exhibit superior elastic properties over the metal borides, carbides or nitrides;(2) the 5 d transitionmetal compounds(ReB_2, WB, OsC, RuC, WC, OsN_2, TaN and WN) possess comparable bulk modulus( B) with that of cBN( B = 363 GPa);(3) twins may form in ZrB, HfN, PtN, VN and ZrN, since their SFEs are lower or slightly higher than that of diamond(SFE = 277 mJ/m~2). Our work can be used as a valuable database to compare these compounds.     

Predicting the damage development in epoxy resins using an anisotropic damage model

For fiber-reinforced plastics, the strain-rate dependent response is governed by the matrix behavior. In this work, the Goldberg model is considered for the epoxy matrix constitutive material model. Moreover, the strain-rate dependency is achieved by direct influence on the elastic modulus, the inelastic strain, and the material strain to failure. In addition, an anisotropic damage response is implemented and extended through a strain-rate dependent definition. Since the constitutive model relies on nonphysical parameters, a parameter study is further performed. Additional numerical investigations using a micro-mechanical model are performed. Tension and shear loading conditions are evaluated and the influence of different strain rates is explored. Furthermore, the implemented anisotropic damage model is compared and discussed against an isotropic damage model.     

Combined Decarbonization of Electrical Energy Generation and Production of Synthetic Fuels by Renewable Energies and Fossil Fuels

Power generation from renewable energy sources and fossil fuels are integrated into one system. A combination of technologies in the form of a carbon capture utilization (CCU)-combined power station is proposed. The technology is based on energy generation from fossil fuels by a coal power plant with CO₂ recovery from exhaust gases, and pyrolysis of natural gas to hydrogen and carbon, completed by reverse water-gas shift for the conversion of CO₂ to CO, which will react with hydrogen in a Fischer-Tropsch synthesis for synthetic diesel. The carbon from the pyrolysis can replace other fossil carbon or can be sequestered. This technology offers significant CO₂ savings compared to the current state of technology and makes an environmentally friendly use of fossil fuels for electricity and fuel sectors possible.     

Achieving renewable energies utilization target in South-East Asia: Progress,challenges, and recommendations

The South-East Asian countries together have a target to increase the component of renewable energy in their primary energy supply to 23 % by 2025. However, there is a different starting point for the individual country members based on their natural conditions and specific political and regulatory frameworks. The Association of South-East Asia Nations (ASEAN), as the regional-cooperation organization, does not have the authority to intervene in the countries’ national policy for renewable energy. It can only provide inputs to develop renewable energy. However, that can also be challenging because it does not have a portal to access each member’s development of renewable energy utilization. This study aims to observe each ASEAN member’s progress by analyzing historical data. This study also reviews some academic papers to summarize the challenges and obstacles faced by each country. The result suggests that regionally, ASEAN members still rely highly on fossil fuels, especially the total primary supply. Moreover, the share of traditional biomass is also very high. Although, data shows that its use has started to reduce as countries gradually shift to other energy options, unfortunately, mostly to fossil fuel. However, power generation has developed in a positive direction. Historical data shows an increase in renewable energy use for power generation, mainly due to the higher utilization of hydropower. Furthermore, it is strongly recommended for ASEAN to build a monitoring portal of renewable energy to track the progress, so it can provide more precise policy recommendations to its members and establish better energy cooperation between each member in the future.     

Anionic Redox Chemistry as a Clue for Understanding the Structural Behavior in Layered Cathode Materials

The anionic redox chemistries of layered cathode materials have been in focus recently due to an intriguing phenomenon that cannot be described by the number of electrons of transition metal ions. However, even though several studies have investigated the anionic redox chemistry of layered materials in terms of the charge compensation, the relationship between the origin of the structural behavior and anionic redox chemistry in layered materials remains poorly understood. In addition, a simultaneous redox process of transition metal ions could occur through the d bands interaction. Here, it is demonstrated that the anionic redox chemistry is associated with the anisotropic structural behavior of the layered cathode materials albeit without providing additional capacities exceeding the theoretical values. These findings will provide a foundation of a new chapter in the understanding of the properties of materials.     

Understanding the crispy–crunchy texture of raw red pepper and its change with storage time

Red sweet peppers held in cold storage were periodically sampled at 1-week intervals over a 3-weeks period using three-point bending, puncture, cutting, and Volodkevich (coupled with acoustic emission) tests, confocal laser scanning microscopy (CLSM) and other physicochemical measurements. At each sampling, tissue specimens were soaked in mannitol solutions (0.0–0.9M) and puncture test, dimension changes and CLSM were used to identify degrees of turgidity present in osmotically manipulated pepper tissue. Pepper texture became crumbly with increased storage time due to softening and wilting processes. The Young's modulus, derived from the bending test using the single-edge notched bend geometry without notches decreased progressively during cold storage and resulted as the best mechanical parameter for measuring the loss of whole-tissue stiffness by both decreased cell wall stiffness and turgor pressure. Osmotic adjustment indicated that the pepper structure is extremely anisotropic, with the specimen's “average” relative thickness (RT) being the dimension change more affected. Incipient plasmolysis was evident in the highest mannitol concentration (0.9M), therefore, the turgor pressure of nonsoaked tissue could not be inferred. However, significant correlations were found between RT and puncture parameters such as initial slope, initial and final distances, and the number of flesh and skin force peaks, which depended on the dilation or shrinkage caused by the osmotic adjustment. During storage, soaked tissues had lower crunchy texture than nonsoaked, reflecting that cell wall stiffness plays a more significant role in determining pepper crunchiness than cell turgor pressure.     

Kernel-based fourth-order diffusion for image noise removal

The fourth-order partial differential equations have good performance on noise smoothing and edge preservation without creating blocky effects on smooth regions. However, for low signal-to-noise ratio images, the discrimination between edges and noise is a challenging problem. A novel kernel-based fourth-order diffusion is proposed in this paper. It introduces a kernelized gradient operator in the fourth-order diffusion process, which leads to more effective noise removal capability. Experiment results show that this method outperforms several previous anisotropic diffusion methods for noise removal and edge preservation.     

Heavy rare earths,permanent magnets,and renewable energies: An imminent crisis

This article sounds the alarm that a significant build-out of efficient lighting and renewable energy technologies may be endangered by shortages of rare earths and rare earth permanent magnets. At the moment, China is the predominant supplier of both and its recent rare earth industrial policies combined with its own growing demand for rare earths have caused widespread concern. To diversify supplies, new mining—outside of China—is needed. But what many observers of the “rare earth problem” overlook is that China also dominates in (1) the processing of rare earths, particularly the less abundant heavy rare earths, and (2) the supply chains for permanent magnets. Heavy rare earths and permanent magnets are critical for many renewable energy technologies, and it will require decades to develop new non-Chinese deposits, processing capacity, and supply chains. This article clarifies several misconceptions, evaluates frequently proposed solutions, and urges policy makers outside of China to undertake measures to avert a crisis, such as greater support for research and development and for the cultivation of intellectual capital.