Abstract Review: 49 refs.
A critical review is presented on modeling of the radiolysis of the coolant water in nuclear power reactors with emphasis on ITER. The review is presented in two parts: In Part I, we assess previous work in terms of compliance with important chemical principles and conclude that no model proposed to date is completely satisfactory, in this regard. Thus, some reactions that have been proposed in various radiolysis models are not elementary in nature and can be decomposed into two or more elementary reactions, some of which are already included in the models. These reactions must be removed in formulating a viable model. Furthermore, elementary reactions between species of like charge are also commonly included, but they can be discounted upon the basis of Coulombic repulsion under the prevailing conditions (T < 350 °C) and must also be removed. Likewise, it is concluded that the current state of knowledge with respect to radiolytic yields (i.e., G-values) is also unsatisfactory. More work is required to ensure that the yields used in radiolysis models are truly “primary” yields corresponding to a time scale of nanoseconds or less. This is necessary to ensure that the impact of the reactions that occur outside of the spurs (ionizing particle tracks in the medium) are not counted twice. In Part II, the authors review the use of the radiolysis models coupled with electrochemical models to predict the water chemistry, corrosion potential, crack growth rate in Type 304 SS, and accumulated damage in the coolant circuits of boiling water reactors, pressurized water reactors, and the test fusion reactor, ITER. Based on experience with fission reactors, the emphasis should be placed on the control of the electrochemical corrosion potential because it is the parameter that best describes the state of corrosion in coolant circuits.
Materials synthesis is a critical step in the development of energy storage technologies, from the first synthesis of newly predicted materials to the optimization of key properties for established materials. While the synthesis of solid-state materials has traditionally relied on intuition-driven trial-and-error, computational approaches are now emerging to accelerate the identification of improved synthesis recipes. In this Perspective, we explore these techniques and focus on their ability to guide precursor selection for solid-state synthesis. The applicability of each method is discussed in the context of materials for batteries, including Li-ion cathodes and solid electrolytes for all-solid-state batteries. Our analysis showcases the effectiveness of these computational methods while also highlighting their limitations. Based on these findings, we provide an outlook on future developments that can address existing limitations and make progress toward synthesis-by-design for battery materials.
Shape from texture is best analysed in a two-stage framework analogous to stereopsis and structure from motion: (a) computing the 'texture distortion' from the image; and (b) interpreting the 'texture distortion' to infer the orientation and shape of the scene surface in 3D. We model the texture distortion at a point in any particular direction on the image plane as an affine transformation and derive the relationship between the parameters of the affine transformation and the surface shape and orientation. We have developed a technique for estimating affine transforms between nearby image patches which is based on solving a system of linear constraints derived from a differential analysis. It is not necessary explicitly to identify texels or make restrictive assumptions about the nature of the image texture like isotropy. We have developed two different models for recovering surface orientation (slant and tilt) and shape (principal curvatures and directions) based on the estimated affine transforms in a number of directions. Experimental results are presented on images of planar and curved surfaces under perspective projection.
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTInitiation of methyl methacrylate polymerization by the non-volatile products of a methyl methacrylate plasma. 1. Polymerization kineticsCharles W. Paul, Alexis T. Bell, and David S. SoongCite this: Macromolecules 1985, 18, 11, 2312–2318Publication Date (Print):November 1, 1985Publication History Published online1 May 2002Published inissue 1 November 1985https://doi.org/10.1021/ma00153a046Request reuse permissionsArticle Views134Altmetric-Citations14LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit PDF (880 KB) Get e-Alertsclose Get e-Alerts
Abstract For Abstract see ChemInform Abstract in Full Text.
We report stereodivergent allylic substitution reactions of allylic esters with prochiral enolates derived from azaaryl acetamides and acetates to form products from addition of the enolates at the most substituted carbon of an allyl moiety with two catalysts, a chiral metallacyclic iridium complex and a chiral bisphosphine-ligated copper(I) complex, which individually control the configuration of the electrophilic and nucleophilic carbon atoms, respectively. By simple permutations of enantiomers of the two catalysts, all four stereoisomers of products containing two stereogenic centers were synthesized individually with high diastereoselectivity and enantioselectivity. A variety of azaaryl acetamides and acetates bearing pyridyl, benzothiazolyl, benzoxazolyl, pyrazinyl, quinolinyl and isoquinolinyl moieties were all found to be suitable for this transformation.
