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 VO48f - VO48f 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. 相似文献
Thermal decomposition of C60H2 in C6D4Cl2 solution at 236°C for 2 hours was shown to produce hydrogen as a product, the hydrogen production was successfully followed by NMR. In order to further explore the rule of thermal decomposition of C60H2, the dynamics of decomposition reaction was studied and the results showed this decomposition reaction accorded with first order reaction dynamical equation. The experiment temperature was ranged separately in 459K, 455K, 451K, and 446K. 相似文献
A new method for characterization of stratified thermal energy stores (TES) that integrates both the first law and the second law concerns is presented here. The first law concern is incorporated into a quantity called energy response factor and the second law concern into an entropy generation ratio. A product of these two quantities is at the heart of the TES efficiency definitions. This approach removes the overemphasis of the existing methods either on the first or the second law of thermodynamics which often biases the characterization results. The information about the evolution of the temperature field of the system in time is the prerequisite of the new method. It may be obtained from experiments or from suitable numerical simulations. The current method can be easily integrated into computational fluid dynamic (CFD) simulations and thus facilitate CFD-based design analysis. As an example of such CFD-integrated analysis, a large-scale hot water seasonal heat store is numerically studied to identify the effects of aspect ratio, containment shape, internal structures, and containment size on their efficiency. The results suggest the effectiveness of the new method in deriving useful design insights. 相似文献
A generalized first principles based charge-discharge model to simulate the cycle life behavior of rechargeable Li-ion batteries has been developed. The model is based on loss of the active lithium ions due to the electrochemical parasitic reaction and rise of the anode film resistance. The effect of parameters such as depth of discharge (DOD), end of charge voltage (EOCV) and overvoltage of the parasitic reaction on the cycle life behavior has been quantitatively analyzed. The experimental results obtained at charge rate of 1 C, discharge rate of 0.5 C, EOCV of 4.0 V and DOD of 0.4 were used to validate the cycle life model. Good agreement between the simulations and the experiments has been achieved up to 1968 cycles. Simulation of a battery subjected to multiple cycling regimes has also been demonstrated. 相似文献
‘Revenge porn’ is the online posting of nude or sexually explicit photographs or videos of a former lover without his or her consent. Despite the malicious intent behind revenge porn, victims are provided with little to no relief due to Section 230 of the Federal Communications Decency Act, also known as the ‘Good Samaritan’ provisions. Section 230 unambiguously provides blanket immunity for website operators and Internet service providers that feature user-generated content, including revenge porn.
In Section 1, I discuss the purpose of Section 230 of the Communication Decency Act. In Section 2, I analyze the legal impact of the blanket immunity established in Section 230. In Section 3, I examine the potential remedies already in existence for revenge porn victims and highlight their inadequacies. In Section 4, I argue Congress should create a narrow exception to Section 230 immunity specifically geared toward revenge porn. The exception would establish a definition of revenge porn, which would prevent over-deterrence. Additionally, the exception would institute a takedown procedure similar to the process found in the Digital Millennium Copyright Act. In creating a narrow exception, the spirit of Section 230 will remain while also providing adequate legal relief for victims of revenge porn. 相似文献