8 resultados para lattice constants
em Universidade do Minho
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Relatório de atividade profissional de mestrado em Direito Judiciário
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The use of buffers to maintain the pH within a desired range is a very common practice in chemical, biochemical and biological studies. Among them, zwitterionic N-substituted aminosulfonic acids, usually known as Good's buffers, although widely used, can complex metals and interact with biological systems. The present work reviews, discusses and updates the metal complexation characteristics of thirty one commercially available buffers. In addition, their impact on biological systems is also presented. The influences of these buffers on the results obtained in biological, biochemical and environmental studies, with special focus on their interaction with metal ions, are highlighted and critically reviewed. Using chemical speciation simulations, based on the current knowledge of the metal-buffer stability constants, a proposal of the most adequate buffer to employ for a given metal ion is presented.
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The Closest Vector Problem (CVP) and the Shortest Vector Problem (SVP) are prime problems in lattice-based cryptanalysis, since they underpin the security of many lattice-based cryptosystems. Despite the importance of these problems, there are only a few CVP-solvers publicly available, and their scalability was never studied. This paper presents a scalable implementation of an enumeration-based CVP-solver for multi-cores, which can be easily adapted to solve the SVP. In particular, it achieves super-linear speedups in some instances on up to 8 cores and almost linear speedups on 16 cores when solving the CVP on a 50-dimensional lattice. Our results show that enumeration-based CVP-solvers can be parallelized as effectively as enumeration-based solvers for the SVP, based on a comparison with a state of the art SVP-solver. In addition, we show that we can optimize the SVP variant of our solver in such a way that it becomes 35%-60% faster than the fastest enumeration-based SVP-solver to date.
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We study the temperature dependent magnetic susceptibility of a strained graphene quantum dot by using the determinant quantum Monte Carlo method. Within the Hubbard model on a honeycomb lattice, our unbiased numerical results show that a relative small interaction $U$ may lead to a edge ferromagnetic like behavior in the strained graphene quantum dot, and a possible room temperature transition is suggested. Around half filling, the ferromagnetic fluctuations at the zigzag edge is strengthened both markedly by the on-site Coulomb interaction and the strain, especially in low temperature region. The resultant strongly enhanced ferromagnetic like behavior may be important for the development of many applications.
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Dissertação de mestrado em Química Medicinal
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Tese de Doutoramento em Engenharia Química e Biológica
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Tese de Doutoramento em Ciências (Especialidade em Química)
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Vapor - liquid equilibrium data for the binary systems: Perfluoromethylcyclohexane + n-Hexane and Perfluoromethylcyclohexane + 1-Hexene were determined at 93.3 KPa and 328.15 K. The vapor pressure for the pure components were also measured to calculate the Antoine constants. The data were correlated by using the Van-Laar, Margules, Wilson, NRTL and UNIQUAC equations. UNIFAC group-contribution parameters between CH, and CF,, and CH,=CH and CF, were also calculated.