5,891 research outputs found

    Multiscale simulation of water flow through laboratory-scale nanotube membranes

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    This data folder contains the output data from all molecular dynamics simulations carried out in this paper

    Intergroup on the Welfare and Conservation of Animals. European Parliament, Brussels, A1GA. Wednesday 18 september 2013, 15.00hrs : speech

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    El texto es la transcripción de un discurso del Tonio Borg, Doctor en Derecho, en el encuentro del Intergroup on the Welfare and Conservation of Animals (http://www.animalwelfareintergroup.eu/), que tuvo lugar en el Parlamento europeo el 18 de septiembre de 2013. En el texto, el autor destaca una lista de metas y propuestas en relación a aumentar el Bienestar Animal en la UE. El ponente destaca la necesidad de reforzar la educación, la aplicación y la reorientación del foco de atención del Bienestar Animal, para lograr un acercamiento más completo, "holístico", al mismo. Dicho acercamiento precisa ser proactivo y preventivo a la vez, más que meramente reactivo, como hasta ahora lo ha sido. El autor acentúa que este nuevo acercamiento, favorecerá el Bienestar Animal, al mismo tiempo que aumentará la competitividad de Europa en el sector agrícola y ayudará a promover la cohesión entre los países miembros de la Unión.This text is a transcription of presentation made by Dr. iur. Tonio Borg at the meeting of the Intergroup on the Welfare and Conservation of Animals (http://www.animalwelfareintergroup.eu/) to the European Parliament on September 18, 2013. In the text, the author outlines a list of challenges and proposals in relation to improving animal welfare in the EU. The speaker highlights the need to improve education, enforcement and a reorientation of focus in order to achieve 'a more holistic' approach to animal welfare. The approach is intended to be proactive and preventive rather than a more reactive approach which has frequently been in force. The author stresses that this new approach would favor animal welfare while improving Europe's competitiveness in agricultural markets, and help foster cohesiveness within the Unio

    Wetting and evaporation of salt-water nanodroplets: A molecular dynamics investigation

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    This data is obtained by molecular dynamics simulations that are employed to study the wetting and evaporation of salt water nano droplets on platinum surfaces. The data also contains a second simulation system of a thin salt water film on a platinum surface, which is used to calculate the various surface tensions and verify the increase in the contact angle of salt water droplets with salt concentration.The .xmol format is an XYZ file format which is used by VMD (Visual Molecular Dynamics)

    Isolation of regular graphs, stars and kk-chromatic graphs

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    Given a set F\mathcal{F} of graphs, we call a copy of a graph in F\mathcal{F} an F\mathcal{F}-graph. The F\mathcal{F}-isolation number of a graph GG, denoted by ι(G,F)\iota(G,\mathcal{F}), is the size of a smallest set DD of vertices of GG such that the closed neighbourhood of DD intersects the vertex sets of the F\mathcal{F}-graphs contained by GG (equivalently, GN[D]G - N[D] contains no F\mathcal{F}-graph). Thus, ι(G,{K1})\iota(G,\{K_1\}) is the domination number of GG. For any integer k1k \geq 1, let F0,k={K1,k}\mathcal{F}_{0,k} = \{K_{1,k}\}, let F1,k\mathcal{F}_{1,k} be the set of regular graphs of degree at least k1k-1, let F2,k\mathcal{F}_{2,k} be the set of graphs whose chromatic number is at least kk, and let F3,k\mathcal{F}_{3,k} be the union F0,kF1,kF2,k\mathcal{F}_{0,k} \cup \mathcal{F}_{1,k} \cup \mathcal{F}_{2,k}. We prove that if GG is a connected nn-vertex graph and F=F0,kF1,k\mathcal{F} = \mathcal{F}_{0,k} \cup \mathcal{F}_{1,k}, then ι(G,F)nk+1\iota(G, \mathcal{F}) \leq \frac{n}{k+1} unless GG is a kk-clique or k=2k = 2 and GG is a 55-cycle. This generalizes a classical bound of Ore on the domination number, a bound of Caro and Hansberg on the {K1,k}\{K_{1,k}\}-isolation number, a bound of the author on the cycle isolation number, and a bound of Fenech, Kaemawichanurat and the author on the kk-clique isolation number. By Brooks' Theorem, the same inequality holds if F=F3,k\mathcal{F} = \mathcal{F}_{3,k}. The bounds are sharp.Comment: 11 pages, minor corrections have been made, Lemma 10 and Proposition 11 have been adde

    Mechanical properties of pristine and nanoporous graphene

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    This data folder contains the molecular dynamics (MD) case directories and data generated from graphene simulations

    No one is immortal: From exemplum mortalitatis to exemplum virtutis

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    This is the author accepted manuscript. The final version is available from de Gruyter via the DOI in this record.Book chapte

    Hydrogen bonds in polymer folding

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    A minimal model was implemented to take into account hydrogen bond effects in polymer folding. At the level of homopolymers, pronounced secondary structures were observed
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