15 resultados para NiO chains

em Cambridge University Engineering Department Publications Database


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We report calculations of the band structures and density of states of the four transition metal monoxides MnO, FeO, CoO and NiO using the hybrid density functional sX-LDA ('screened exchange local density approximation'). Late transition metal oxides are prototypical examples of strongly correlated materials, which pose challenges for electronic structure methods. We compare our results with available experimental data and show that our calculations generally yield accurate predictions for the fundamental band gaps and valence bands, in favourable agreement with previously reported theoretical studies. For MnO, the band gaps are still underestimated, suggesting additional many-body effects that are not captured by our screened hybrid functional approach.

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This paper proposes a method for analysing the operational complexity in supply chains by using an entropic measure based on information theory. The proposed approach estimates the operational complexity at each stage of the supply chain and analyses the changes between stages. In this paper a stage is identified by the exchange of data and/or material. Through analysis the method identifies the stages where the operational complexity is both generated and propagated (exported, imported, generated or absorbed). Central to the method is the identification of a reference point within the supply chain. This is where the operational complexity is at a local minimum along the data transfer stages. Such a point can be thought of as a 'sink' for turbulence generated in the supply chain. Where it exists, it has the merit of stabilising the supply chain by attenuating uncertainty. However, the location of the reference point is also a matter of choice. If the preferred location is other than the current one, this is a trigger for management action. The analysis can help decide appropriate remedial action. More generally, the approach can assist logistics management by highlighting problem areas. An industrial application is presented to demonstrate the applicability of the method. © 2013 Operational Research Society Ltd. All rights reserved.

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This paper introduces the problem of passive control of a chain of N identical masses in which there is an identical passive connection between neighbouring masses and a similar connection to a movable point. The problem arises in the design of multi-storey buildings which are subjected to earthquake disturbances, but applies in other situations, for example vehicle platoons. The paper will study the scalar transfer functions from the disturbance to a given intermass displacement. It will be shown that these transfer functions can be conveniently represented in the form of complex iterative maps and that these maps provide a method to establish boundedness in N of the H ∞-norm of these transfer functions for certain choices of interconnection impedance. © 2013 IEEE.