High-entropy carbides (HECs) are regarded as potential candidate structural materials with attractive mechanical properties due to their ultra-high hardness. It is essential to reveal the atomic and electronic basis for strengthening mechanism in order to develop the advanced HECs. In the present work, C (M = Nb, Ti, V) are selected as case studies. The effects of transition metals (M) on the lattice parameters, bulk modulus, enthalpy of formation, electron work function (EWF), and bonding morphology/strength of HECs are comprehensively studied by first-principles calculations. It is found that the lattice parameters, equilibrium volumes, and bulk modulus of HECs are improved with the increase of M atomic volumes. The atomic-size differences among various groups of elements not only result in the lattice mismatch/distortion but also contribute to the formation of weak spots. In the view of bonding charge density, the electron redistributions caused by the coupling effect of the lattice distortion and valance electron differences can be revealed obviously, which identify the different bonding strength. Moreover, in terms of EWF, the proposed power-law-scaled hardness of HECs is validated and matches well with those reported theoretical and experimental results, providing a strategy to design advanced HECs with excellent mechanical properties. 相似文献
Experiments involving equilibrium dialysis, conductivity, X-ray diffraction analysis (XRD), differential thermal analysis (DTA) and isothermal titration calorimetry (ITC) have been carried out to investigate the role of calcium ions and polymeric plasticisers in cement/admixture hydration. Results from a study of lignosulphonic acid, sodium salt, acetate as a plasticiser shows that a plasticiser has dual role; one mainly as a kinetic inhibitor (poison) in cement hydration mechanism and the other as a dispersant. Evidence of a weak Ca2+ binding to lignosulphonate sulphonic moieties was found at low ionic strengths of 0.1 M using ITC. No evidence of formal Ca2+ binding to lignosulphonate sulphonic acid moieties was found using equilibrium dialysis at higher ionic strength of 1 M (ionic strengths of 0.4 M are typically found in Portland cement pore solution), as is often suggested in cement/admixture literature. 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
Thin-film wide-angle X-ray diffraction, small-angle X-ray scattering, and density functional theory calculations using B3LYP hybrid functional with the two-dimensional periodic boundary conditions (2D-PBC) have been applied to study the crystal structures of parent and fluorinated polyurethanes. The crystal structures from 2D-PBC-B3LYP calculation and experiments showed the hard-segment chains within crystallites adopted an extended-chain conformation for polyurethanes. Energetically, the parent polyurethane preferred an alternating hydrogen-bonded sheet structure while the fluorinated one adopted a progressive hydrogen-bonded sheet structure. 相似文献
FDA's Process Analytical Technology (PAT) initiative provides an unprecedented opportunity for chemical engineers to play significant roles in the pharmaceutical industry. In this article, the authors provide their perspectives on (1) the need for chemical engineering principles in pharmaceutical development for a thorough process understanding; (2) applications of chemical engineering principles to meet the challenges from the semiconductor and pharmaceutical industries; and (3) the integration of chemical engineering practice into the semiconductor and pharmaceutical industries to achieve process understanding and the desired state of quality-by-design. A real-world case study from the semiconductor industry is presented to demonstrate how a classic chemical engineering concept, mixing homogeneity, can be implemented by inducing forced flow to ensure an excellent copper electrochemical plating process performance and to improve product quality substantially. Further, a case study of brake system design is discussed with the concept of Dr. Taguchi's robust engineering design to illustrate how quality-by-design can be achieved through appropriate experimental design, in conjunction with the discussion on the concept of quality-by-design in pharmaceuticals. Third, a case study of freeze-dried sodium ethacrynate is presented to demonstrate the vital importance of controlling the processing factors to achieve the desired product stability. Finally, the problems of the current pharmaceutical manufacturing mode, the opportunities and engineering challenges during implementation of PAT in the pharmaceutical industry, and the role of chemical engineering in implementation of PAT is discussed in detail. 相似文献