Molecular dynamics simulations of inverse patchy colloids
نویسندگان
چکیده
منابع مشابه
Liquid-vapor interfaces of patchy colloids.
We investigate the liquid-vapor interface of a model of patchy colloids. This model consists of hard spheres decorated with short-ranged attractive sites ("patches") of different types on their surfaces. We focus on a one-component fluid with two patches of type A and nine patches of type B (2A9B colloids), which has been found to exhibit reentrant liquid-vapor coexistence curves and very low-d...
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Francesco Rizzi Sandia National Laboratory, Alburquerque, NM, USA Abstract Molecular dynamics (MD) is widely employed in both industrial and academic environments, playing a key role in the study of a variety of systems, ranging from liquids to solids, as well as biomolecules, such as proteins and nucleic acids (DNA, RNA). MD simulations provide a suitable and convenient method to explore the d...
متن کاملPhase behaviour of inverse patchy colloids: effect of the model parameters.
The phase behaviour of inverse patchy colloid systems composed of spherical particles with two oppositely charged patches at the poles is investigated by simulation-based thermodynamic integration schemes. The interaction between the particles is derived via a coarse-grained model characterized by three system parameters: the charge imbalance between the bare colloid and the patches, the patch ...
متن کاملTheoretical and numerical investigations of inverse patchy colloids in the fluid phase.
We investigate the structural and thermodynamic properties of a new class of patchy colloids, referred to as inverse patchy colloids (IPCs) in their fluid phase via both theoretical methods and simulations. IPCs are nano- or micro- meter sized particles with differently charged surface regions. We extend conventional integral equation schemes to this particular class of systems: our approach is...
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S purred by recent advances in microparticle synthesis, colloidal particles with 'sticky patches' on their surface have of late become a focus of interest. This is in great part because colloids with anisotropic, patchy interactions should allow better control of colloidal self-assembly so as to achieve specific target structures with tailored photonic, catalytic or mechanical properties 1. Man...
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ژورنال
عنوان ژورنال: The European Physical Journal E
سال: 2018
ISSN: 1292-8941,1292-895X
DOI: 10.1140/epje/i2018-11647-2