279 research outputs found

    Self-assembly and entropic effects in pear-shaped colloid systems. II. Depletion attraction of pear-shaped particles in a hard-sphere solvent

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    We consider depletion effects of a pear-shaped colloidal particle in a hard-sphere solvent for two different model realizations of the pear-shaped colloidal particle. The two models are the pear hard Gaussian overlap (PHGO) particles and the hard pears of revolution (HPR). The motivation for this study is to provide a microscopic understanding for the substantially different mesoscopic self-assembly properties of these pear-shaped colloids, in dense suspensions, that have been reported in the previous studies. This is done by determining their differing depletion attractions via Monte Carlo simulations of PHGO and HPR particles in a pool of hard spheres and comparing them with excluded volume calculations of numerically obtained ideal configurations on the microscopic level. While the HPR model behaves as predicted by the analysis of excluded volumes, the PHGO model showcases a preference for splay between neighboring particles, which can be attributed to the special non-additive characteristics of the PHGO contact function. Lastly, we propose a potentially experimentally realizable pear-shaped particle model, the non-additive hard pear of revolution model, which is based on the HPR model but also features non-additive traits similar to those of PHGO particles to mimic their depletion behavior

    Self-assembly and entropic effects in pear-shaped colloid systems. I. Shape sensitivity of bilayer phases in colloidal pear-shaped particle systems

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    The role of particle shape in self-assembly processes is a double-edged sword. On the one hand, particle shape and particle elongation are often considered the most fundamental determinants of soft matter structure formation. On the other hand, structure formation is often highly sensitive to details of shape. Here, we address the question of particle shape sensitivity for the self-assembly of hard pear-shaped particles by studying two models for this system: (a) the pear hard Gaussian overlap (PHGO) and (b) the hard pears of revolution (HPR) model. Hard pear-shaped particles, given by the PHGO model, are known to form a bicontinuous gyroid phase spontaneously. However, this model does not replicate an additive object perfectly and, hence, varies slightly in shape from a “true” pear-shape. Therefore, we investigate in the first part of this series the stability of the gyroid phase in pear-shaped particle systems. We show, based on the HPR phase diagram, that the gyroid phase does not form in pears with such a “true” hard pear-shaped potential. Moreover, we acquire first indications from the HPR and PHGO pair-correlation functions that the formation of the gyroid is probably attributed to the small non-additive properties of the PHGO potential

    Purely entropic self-assembly of the bicontinuous Ia3Ě…d gyroid phase in equilibrium hard-pear systems

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    We investigate a model of hard pear-shaped particles which forms the bicontinuous Ia3d structure by entropic self-assembly, extending the previous observations of Barmes et al. (2003 Phys. Rev. E 68, 021708. (doi:10.1103/PhysRevE.68.021708)) and Ellison et al. (2006 Phys. Rev. Lett. 97, 237801. (doi:10.1103/PhysRevLett.97.237801)). We specifically provide the complete phase diagram of this system, with global density and particle shape as the two variable parameters, incorporating the gyroid phase as well as disordered isotropic, smectic and nematic phases. The phase diagram is obtained by two methods, one being a compression–decompression study and the other being a continuous change of the particle shape parameter at constant density. Additionally, we probe the mechanism by which interdigitating sheets of pears in these systems create surfaces with negative Gauss curvature, which is needed to form the gyroid minimal surface. This is achieved by the use of Voronoi tessellation, whereby both the shape and volume of Voronoi cells can be assessed in regard to the local Gauss curvature of the gyroid minimal surface. Through this, we show that the mechanisms prevalent in this entropy-driven system differ from those found in systems which form gyroid structures in nature (lipid bilayers) and from synthesized materials (di-block copolymers) and where the formation of the gyroid is enthalpically driven. We further argue that the gyroid phase formed in these systems is a realization of a modulated splay-bend phase in which the conventional nematic has been predicted to be destabilized at the mesoscale due to molecular-scale coupling of polar and orientational degrees of freedo

    Self-assembly and entropic effects in pear-shaped colloid systems. II. Depletion attraction of pear-shaped particles in a hard-sphere solvent

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    We consider depletion effects of a pear-shaped colloidal particle in a hard-sphere solvent for two different model realizations of the pear-shaped colloidal particle. The two models are the pear hard Gaussian overlap (PHGO) particles and the hard pears of revolution (HPR). The motivation for this study is to provide a microscopic understanding for the substantially different mesoscopic self-assembly properties of these pear-shaped colloids, in dense suspensions, that have been reported in the previous studies. This is done by determining their differing depletion attractions via Monte Carlo simulations of PHGO and HPR particles in a pool of hard spheres and comparing them with excluded volume calculations of numerically obtained ideal configurations on the microscopic level. While the HPR model behaves as predicted by the analysis of excluded volumes, the PHGO model showcases a preference for splay between neighboring particles, which can be attributed to the special non-additive characteristics of the PHGO contact function. Lastly, we propose a potentially experimentally realizable pear-shaped particle model, the non-additive hard pear of revolution model, which is based on the HPR model but also features non-additive traits similar to those of PHGO particles to mimic their depletion behavior.The authors thank Universities Australia and the German Academic Exchange Service (DAAD) for funds through a collaboration funding scheme, through the grant “Absorption and confinement of complex fluids.” They also thank the DFG through Grant No. ME1361/11-2 and through the research group “Geometry and Physics of Spatial Random Systems” (GPSRS) for funding. They gratefully acknowledge Klaus Mecke’s support and advice in useful discussions. P.W.A.S. acknowledges a Murdoch University Postgraduate Research Scholarship. G.E.S.-T. is grateful to the Food Science Department at the University of Copenhagen and the Physical Chemistry group at Lund University for their hospitality and to Copenhagen University, the Camurus Lipid Research Foundation, and the Danish National Bank for enabling a sabbatical stay in Denmark and Sweden

    Self-assembly and entropic effects in pear-shaped colloid systems. I. Shape sensitivity of bilayer phases in colloidal pear-shaped particle systems

    Get PDF
    The role of particle shape in self-assembly processes is a double-edged sword. On the one hand, particle shape and particle elongation are often considered the most fundamental determinants of soft matter structure formation. On the other hand, structure formation is often highly sensitive to details of shape. Here, we address the question of particle shape sensitivity for the self-assembly of hard pear-shaped particles by studying two models for this system: (a) the pear hard Gaussian overlap (PHGO) and (b) the hard pears of revolution (HPR) model. Hard pear-shaped particles, given by the PHGO model, are known to form a bicontinuous gyroid phase spontaneously. However, this model does not replicate an additive object perfectly and, hence, varies slightly in shape from a "true" pear-shape. Therefore, we investigate in the first part of this series the stability of the gyroid phase in pear-shaped particle systems. We show, based on the HPR phase diagram, that the gyroid phase does not form in pears with such a "true" hard pear-shaped potential. Moreover, we acquire first indications from the HPR and PHGO pair-correlation functions that the formation of the gyroid is probably attributed to the small non-additive properties of the PHGO potential.We thank Universities Australia and the German Academic Exchange Service (DAAD) for funds through a collaboration funding scheme and through the grant “Absorption and confinement of complex fluids.” We also thank the DFG (Grant No. ME1361/11-2) and the research group “Geometry and Physics of Spatial Random Systems” (GPSRS) for funding. We gratefully acknowledge Klaus Mecke’s support and advice in useful discussions. P.W.A.S. acknowledges a Murdoch University Postgraduate Research Scholarship. G.E.S.-T. is grateful to the Food Science Department at the University of Copenhagen and the Physical Chemistry group at Lund University for their hospitality and to Copenhagen University, the Camurus Lipid Research Foundation, and the Danish National Bank for enabling a sabbatical stay in Denmark and Sweden

    Temperature, Pressure, and Infrared Image Survey of an Axisymmetric Heated Exhaust Plume

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    The focus of this research is to numerically predict an infrared image of a jet engine exhaust plume, given field variables such as temperature, pressure, and exhaust plume constituents as a function of spatial position within the plume, and to compare this predicted image directly with measured data. This work is motivated by the need to validate computational fluid dynamic (CFD) codes through infrared imaging. The technique of reducing the three-dimensional field variable domain to a two-dimensional infrared image invokes the use of an inverse Monte Carlo ray trace algorithm and an infrared band model for exhaust gases. This report describes an experiment in which the above-mentioned field variables were carefully measured. Results from this experiment, namely tables of measured temperature and pressure data, as well as measured infrared images, are given. The inverse Monte Carlo ray trace technique is described. Finally, experimentally obtained infrared images are directly compared to infrared images predicted from the measured field variables
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