Objetivo The aim of the proposed research is to use novel Monte Carlo simulation techniques in order to gain insight into the factors that control the nucleation and growth of crystals of charged nano-colloids. Recent experiments (Shevchenko et al, Nature 439, 55(2006)) have shown that it is possible to grow a wealth of different crystal structures from binary mixtures of charged nano-colloids. However, the factors that determine which crystals will grow and which ones will remain microscopic in size are, at present, not understood. It is clear that both the charge and the size ratio of the nano-colloids plays a role. We aim to use a combination of different simulation techniques to predict the stability and nucleation barrier of such nano-colloidal crystals. Understanding these factors is important because nano-particle crystals can find applications in nanoelectronics, plasmonics, high-density data storage, catalysis, and biomedical materials. In our study, we will developed suitable models for the interaction between the nano-colloids. Subsequently, we will use a combination of various computational schemes (umbrella sampling, parallel tempering, forward flux sampling), to compute the barrier that determines the rate of crystal nucleation and the free energy of possible (meta)stable intermediates. Ámbito científico engineering and technologymaterials engineeringcrystalsengineering and technologynanotechnologynano-materialsnanocrystalsnatural scienceschemical sciencescatalysisengineering and technologynanotechnologynanoelectronics Palabras clave Monte Carlo classical nucleation theory colloidal crystals crystallization rates kinetic prefactor nucleation barrier umbrella sampling Programa(s) FP7-PEOPLE - Specific programme "People" implementing the Seventh Framework Programme of the European Community for research, technological development and demonstration activities (2007 to 2013) Tema(s) PEOPLE-2007-2-1.IEF - Marie Curie Action: "Intra-European Fellowships for Career Development" Convocatoria de propuestas FP7-PEOPLE-2007-2-1-IEF Consulte otros proyectos de esta convocatoria Régimen de financiación MC-IEF - Intra-European Fellowships (IEF) Coordinador THE CHANCELLOR MASTERS AND SCHOLARS OF THE UNIVERSITY OF CAMBRIDGE Aportación de la UE € 160 658,97 Dirección TRINITY LANE THE OLD SCHOOLS CB2 1TN Cambridge Reino Unido Ver en el mapa Región East of England East Anglia Cambridgeshire CC Tipo de actividad Higher or Secondary Education Establishments Contacto administrativo Dawn Barker (Ms.) Enlaces Contactar con la organización Opens in new window Sitio web Opens in new window Coste total Sin datos
