10,000 publications from this institution
This article describes a model of CQI that is designed to characterize the elements necessary for successfully improving quality at an organization-wide level; describe and understand the organizational dynamics in implementing an organization-wide effort; and aid in diagnosing and solving common implementation challenges. Three cases illustrate the model and how it can be used.
Room temperature fatigue-crack growth behavior is investigated in a wide range of γ-based titanium aluminide microstructures. The influence of microstructural variables such as lamellar colony size and volume fraction of equiaxed γ grains are systematically analyzed in terms of their effects on crack growth resistance. It is found that the coarse lamellar microstructures exhibit the best resistance to cyclic crack growth, while the duplex and single-phase γ microstructures exhibit the worst. Additionally, a wide range in fatigue-crack growth resistance is observed for the various lamellar microstructures investigated. These trends in material properties are explained in terms of extrinsic crack-tip shielding mechanisms, including crack closure and uncracked (shear) ligament bridging, the potency of which are functions of microstructure.
A new canonical piecewise-linear circuit capable of realizing every member of the Chua's circuit family is presented. It contains only six two-terminal elements: five of them are linear resistors, capacitors, and inductors, and only one element is a three-segment piecewise-linear resistor. It is canonical in the sense that (1) it can exhibit all possible phenomena associated with any three-region symmetric piecewise-linear continuous vector fields and (2) it contains the minimum number of circuit elements needed for such a circuit. This circuit is used to prove a theorem that specifies the constraint on the types of eigenvalue patterns associated with a piecewise-linear continuous vector field having three equilibrium points. This theorem has an explicit physical meaning and unifies the corresponding theorem in the work of L.O. Chua et al. (1986) and C.P. Silva and L.O. Chua et al. (1988). Also presented are some computer simulation results for this circuit, including some new attractors that have not been observed before.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">></ETX>
La$_{1-x}$Sr$_{x}$CoO3-$δ$ is a promising off-stoichiometric metal oxide that undergoes a topotactic perovskite ($δ$ = 0) to brownmillerite ($δ$ = 0.5) transition under electrochemical and thermochemical stimuli, with concomitant variations in its electrical, magnetic, thermal, and optical properties. Recent studies on thin-film cycling in electrochemical devices show incomplete reversibility of this transition, with significant acid-etching serving as a degradation mechanism. While earlier investigations examined the protonation of brownmillerite SrCoO2.5, the thermodynamics of protonation across the perovskite-to-brownmillerite transition remain poorly understood. In this work, we combine density functional theory calculations with predictions from universal machine-learning interatomic potentials to elucidate the energetics and implications of protonation across the transition for La0.5Sr0.5CoO3-$δ$. These calculations reveal negative hydrogen insertion energies and strong competition with oxygen vacancy formation across the transition for a wide range of conditions. The extent of protonation is primarily limited by the availability of Co 3d states to accommodate reduction by inserted hydrogen. Although hydrogen insertion is often thermodynamically favorable within a defect picture, a convex hull analysis of the resulting HyLa0.5Sr0.5CoO3-$δ$ phases reveals them to be unstable against decomposition into hydroxides among other products. This instability increases with hydrogen content and provides a thermodynamic basis for the acid-etching observed during electrochemical cycling. This work advances the fundamental understanding of protonation in La0.5Sr0.5CoO3-$δ$ and contextualizes experimental observations of related materials in the presence of moisture or H2.
A new paradigm has emerged, in which the band structure concepts of solid-state physics are applied to electromagnetics. This has led to a profusion of scientific creativity as new forms of electromagnetic crystal structures are invented for radio and microwaves, as well as for three-dimensional (3-D) geometry of both natural crystals and those artificial crystals that can arise only in the human imagination.
Abstract : This paper describes a new approach to representing and reasoning with temporal information. A wide variety of temporal specifications can be converted into linear inequalities relating the endpoints of the events. Linear programming is then used to represent these constraints and perform deductions. The information is modularized into semantically related clusters of events each with its own tableau and related to each other by a reference frame transformation. This provides a uniform formally adequate representation which is complete and also computationally efficient. (Author)
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
Advances in quantum chemical methods in combination with exponential growth in the computational speed of computers have enabled researchers in the field of catalysis to apply electronic structure calculations to a wide variety of increasingly complex problems. Such calculations provide insights into why and how changes in the composition and structure of catalytically active sites affect their activity and selectivity for targeted reactions. The aim of this review is to survey the recent advances in the methods used to make quantum chemical calculations and to define transition states as well as to illustrate the application of these methods to a selected series of examples taken from the authors' recent work.
Reaction of 2 equiv of Li[C4Me4GeSiMe3] with Cp*HfMe2Cl produced the first transition metal complex of a germole dianion, [Cp*(η5-C4Me4Ge)HfMe2Li(THF)]2 (1), via the apparent elimination of Me3SiCl, along with C4Me4Ge(SiMe3)2 as the final Me3Si-containing product. Compound 1 adopts a dimeric structure in which one Li atom is sandwiched in an η5-fashion between two germole rings, while the other Li atom is coordinated by both germanium atoms. Reaction of 1 with an excess of Me3SiCl resulted in loss of the germole ligand as C4Me4Ge(SiMe3)2, while 2 equiv of Me3SiOSO2CF3 reacted with 1 to give the new germolyl complex Cp*[η5-C4Me4GeSiMe3]HfMe2 (2). Yet a different process results from treatment of 1 with CH3CH2OSO2CF3, involving migration of a methyl group from hafnium to germanium to produce Cp*(η4-C4Me4GeMeEt)HfMe (3). Reaction of 2 with H2 gave CH4 and Me3SiH as the result of σ-bond metathesis involving the germole-bound trimethylsilyl group and (presumably) an intermediate hafnium hydride species. Similarly, the reaction of 2 with PhSiH3 gave PhMeSiH2 and Me3SiH. Compound 2 also reacted with MeI to produce C4Me4Ge(Me)SiMe3, while the reaction with (Et2O)LiCH2Ph gave 1 and Me3SiCH2Ph. Compound 2 did not react cleanly with various small molecules (CO, CN(2,6-Me2C6H3), trimethylsilylacetylene, and benzophenone), nor with the methide abstraction reagents B(C6F5)3 and [Ph3C][B(C6F5)4]. In addition, reaction of 2 with these abstraction reagents in the presence of 1-hexene or cyclohexene did not result in the formation of a polymer. The germole C4Me4Ge(H)CMe3 was prepared via reaction of C4Me4GeCl2 with 1.5 equiv of Me3CLi, followed by treatment with LiAlH4. This germole was cleanly deprotonated by nBuLi in THF to give the new germole anion Li[C4Me4GeCMe3] as a THF solvate. This anion reacted with Cp*HfMe2Cl to give the product of methyl migration from hafnium to germanium, Cp*[η4-C4Me4Ge(Me)CMe3]HfMe (4). Analogously, Li[C4Me4GePh] reacted with Cp*HfMe2Cl to give Cp*[η4-C4Me4Ge(Me)Ph]HfMe (5). Treatment of MgBr2(Et2O) with 2 equiv of K[C4Me4SiSiMe3] in THF resulted in formation of Mg[η1-C4Me4SiSiMe3]2(THF) (6). Reaction of 6 with Cp*ZrCl3 gave quantitative formation of Cp*[η5-C4Me4SiSiMe3]ZrCl2 (7), while the reaction of 6 with Cp*HfCl3 provided the previously reported complex Cp*[η5-C4Me4SiSiMe3]HfCl2 (8) in quantitative yield.
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTPentamethylcyclopentadienyl derivatives of the trivalent lanthanide elements neodymium, samarium, and ytterbiumT. Don Tilley and Richard A. AndersenCite this: Inorg. Chem. 1981, 20, 10, 3267–3270Publication Date (Print):October 1, 1981Publication History Published online1 May 2002Published inissue 1 October 1981https://pubs.acs.org/doi/10.1021/ic50224a025https://doi.org/10.1021/ic50224a025research-articleACS PublicationsRequest reuse permissionsArticle Views687Altmetric-Citations126LEARN 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 InRedditEmail Other access optionsGet e-Alertsclose Get e-Alerts
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.