Computation of Madelung Energies for Ionic Crystals of Variable Stoichiometries and Mixed Valencies and their application in Lithium-ion battery voltage modelling

Electrostatic energy (Madelung energy) is a major constituent of the cohesive energy of ionic crystals. Several physicochemical properties of these materials depend on the response of their electrostatic energy to a variety of applied thermal, electrical and mechanical stresses. In the present study, a method has been developed based on Ewalds technique, to compute the electrostatic energy arising from ion-ion interactions in ionic crystals like LixMn2O4 with variable stoichiometries and mixed valencies. An interesting application of this method in computing the voltages of lithium ion batteries employing spinel cathodes is presented for the first time. The advantages of the present method of computation over existing methods are also discussed.Comment: 15 page

Synthesis and Coordination Compounds of A Bis(Imino)Acenaphthene (Bian)-Supported N-Heterocyclic Carbene

The bis(imino)acenaphthene-supported N-heterocyclic carbene IPr(BIAN) has been prepared by deprotonation of the precursor imidazolium chloride. Treatment of IPr(BIAN) imidazolium chloride with Ag(2)O afforded the silver complex [IPr(BIAN)]AgCl which can be converted into the corresponding gold complex [IPr(BIAN)]AuCl by reaction with (tht)AuCl (tht = tetrahydrothiophene). The iridium complex [IPr(BIAN)]Ir(COD)Cl was prepared by reaction of the imidazolium chloride with KO(t)Bu and [Ir(COD)Cl](2) and subsequently converted to the carbonyl complex [IPr(BIAN)]Ir(CO)(2)Cl by exposure to an atmosphere of CO. All new compounds were characterized by single-crystal X-ray diffraction, multinuclear NMR, MS and HRMS data.Robert A. Welch Foundation F-0003National Science Foundation 0741973Chemistr

New aluminum alloy design

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Hidden Symmetry of Higher Dimensional Kerr-NUT-AdS Spacetimes

It is well known that 4-dimensional Kerr-NUT-AdS spacetime possesses the hidden symmetry associated with the Killing-Yano tensor. This tensor is "universal" in the sense that there exist coordinates where it does not depend on any of the free parameters of the metric. Recently the general higher dimensional Kerr-NUT-AdS solutions of the Einstein equations were obtained. We demonstrate that all these metrics with arbitrary rotation and NUT parameters admit a universal Killing-Yano tensor. We give an explicit presentation of the Killing-Yano and Killing tensors and briefly discuss their properties.Comment: 4 pages, some discussion and references are adde

Glimmers: Resolving the Privacy/Trust Quagmire

Many successful services rely on trustworthy contributions from users. To establish that trust, such services often require access to privacy-sensitive information from users, thus creating a conflict between privacy and trust. Although it is likely impractical to expect both absolute privacy and trustworthiness at the same time, we argue that the current state of things, where individual privacy is usually sacrificed at the altar of trustworthy services, can be improved with a pragmatic $Glimmer$ $of$ $Trust$, which allows services to validate user contributions in a trustworthy way without forfeiting user privacy. We describe how trustworthy hardware such as Intel's SGX can be used client-side -- in contrast to much recent work exploring SGX in cloud services -- to realize the Glimmer architecture, and demonstrate how this realization is able to resolve the tension between privacy and trust in a variety of cases

Fatigue threshold Kmax,th affected by static threshold K1scc

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Coagulation using ecofriendly natural coagulants

Coagulation using ecofriendly natural coagulant

Fracture toughnes K1c affecting static threshold K1scc

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Separability of Hamilton-Jacobi and Klein-Gordon Equations in General Kerr-NUT-AdS Spacetimes

We demonstrate the separability of the Hamilton-Jacobi and scalar field equations in general higher dimensional Kerr-NUT-AdS spacetimes. No restriction on the parameters characterizing these metrics is imposed.Comment: 4 pages, no figure