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Ordering nanoparticles into a desired super-structure is often crucial for their technological applications. We use molecular dynamics simulations to study the assembly of nanoparticles in a polymer brush randomly grafted to a planar…

Soft Condensed Matter · Physics 2017-12-11 Shengfeng Cheng , Mark J. Stevens , Gary S. Grest

We present Monte Carlo simulations of colloidal particles pulled into grafted polymer layers by external fields. The insertion free energy of a single colloid into the polymer layer is qualitatively different for surfaces with an ordered…

Soft Condensed Matter · Physics 2012-10-17 Tine Curk , Francisco J. Martinez-Veracoechea , Daan Frenkel , Jure Dobnikar

We demonstrate a novel route of spatially organizing the colloid arrangements on the polymer-grafted substrate by use of self-consistent field and density functional theories. We find that grafting of polymers onto a substrate can…

Soft Condensed Matter · Physics 2007-05-23 Kang Chen , Yu-qiang Ma

Designable media can control properties of nanocomposite materials by spatially organizing nanoparticles. Here we theoretically study particle organization by ultrathin polymer films of grafted chains (``brushes''). Polymer-soluble…

Soft Condensed Matter · Physics 2009-11-07 Jaeup U. Kim , Ben O'Shaughnessy

Mixtures of nanoparticles and polymer-like objects are encountered in many nanotechnological applications and biological systems. We study the behavior of grafted polymer layers decorated by nanoparticles that are attracted to the polymers…

Soft Condensed Matter · Physics 2011-10-31 Michael G. Opferman , Rob D. Coalson , David Jasnow , Anton Zilman

The structural features of polystyrene brushes grafted on spherical silica nanoparticles immersed in polystyrene are investigated by means of a Monte Carlo methodology based on polymer mean field theory. The nanoparticle radii (either 8 nm…

Soft Condensed Matter · Physics 2014-01-17 Georgios G. Vogiatzis , Doros N. Theodorou

Molecular Dynamics (MD) simulations are presented for a coarse-grained bead-spring model of ring polymer brushes under compression. Flexible polymer brushes are always disordered during compression, whereas semiflexible brushes tend to be…

Soft Condensed Matter · Physics 2017-01-23 Yunfeng Hua , Zhenyu Deng , Yangwei Jiang , Linxi Zhang

It has recently been proposed that the miscibility of nanoparticles with a polymer matrix can be controlled by grafting polymer chains to the nanoparticle surface. As a first step to study this situation, we have used molecular dynamics…

Soft Condensed Matter · Physics 2010-08-06 Joshua Kalb , Douglas Dukes , Sanat K. Kumar , Robert S. Hoy , Gary S. Grest

We investigate the interaction energy between two colloidal particles on or immersed in nonadsorbing polymer brushes grafted onto the substrate as a function of the separation of the particles by use of self-consistent field theory…

Soft Condensed Matter · Physics 2007-05-23 Kang Chen , Yu-qiang Ma

The ordering of nanoparticles into predetermined configurations is of importance to the design of advanced technologies. In this work, we moderate the surface anchoring against the bulk elasticity of liquid crystals to dynamically shape…

Soft Condensed Matter · Physics 2023-12-01 Lisa Tran , Hye-Na Kim , Ningwei Li , Shu Yang , Kathleen J. Stebe , Randall D. Kamien , Martin F. Haase

Entropic forces in colloidal suspensions and in polymer-colloid systems are of long-standing and continuing interest. Experiments show how entropic forces can be used to control the self-assembly of colloidal particles. Significant advances…

Soft Condensed Matter · Physics 2014-10-17 A. Scala , P. G. De Sanctis Lucentini

We report many different nano-structures which are formed when model nano-particles of different sizes (diameter {\sigma} n ) are allowed to aggregate in a background matrix of semi-flexible self assembled polymeric worm like micellar…

Soft Condensed Matter · Physics 2015-06-23 Shaikh Mubeena , Apratim Chatterji

Periodic assemblies of nanoparticles are central to surface patterning, with applications in biosensing, energy conversion, and nanofabrication. Evaporation of colloidal droplets on substrates provides a simple yet effective route to…

Soft Condensed Matter · Physics 2026-01-29 Suman Bhattacharjee , Sanjoy Khawas , Sunita Srivastava

Shearing of nanocomposites has shown to produce ordered nanostructures and orientation in the polymeric matrix. Due to the importance of the formation of an ordered structure of nanoparticles in a polymeric matrix to device wearable,…

Soft Condensed Matter · Physics 2018-10-16 Sk. Mubeena

Precise control over the flow behavior of liquids is a critical problem and is demanding for multifaceted applications. Introducing surface-engineered nanoparticles into the liquid can tune the flow behavior. However, the extent of…

Materials Science · Physics 2025-03-10 Prama Adhya , Sachin M. B. Gautham , Tarak K Patra , Manish Kaushal , Titash Mondal

Molecular building blocks interacting at the nanoscale organize spontaneously into stable mono- layers that display intriguing long-range ordering motifs on the surface of atomic substrates. The patterning process, if appropriately…

Mesoscale and Nanoscale Physics · Physics 2011-02-18 Marta Balbás Gambra , Carsten Rohr , Kathrin Gruber , Bianca Hermann , Thomas Franosch

Elastic sheets with macroscopic dimensions are easy to deform by bending and stretching. Yet shaping nanometric sheets by mechanical manipulation is hard. Here we show that nanoparticle self-assembly could be used to this end. We…

Soft Condensed Matter · Physics 2015-05-20 Josep C. Pàmies , Angelo Cacciuto

We present a numerical study on geometric percolation in liquid dispersions of hard slender colloidal particles subjected to an external orienting field. In the formulation and liquid-state processing of nanocomposite materials, the…

Soft Condensed Matter · Physics 2020-02-26 Shari P. Finner , Ilian Pihlajamaa , Paul van der Schoot

Self-assembly of ordered nanometer-scale patterns is interesting in itself, but its practical value depends on the ability to predict and control pattern formation. In this paper we demonstrate theoretically and numerically that engineering…

Soft Condensed Matter · Physics 2020-06-30 Bjarke Frost Nielsen , Gaute Linga , Amalie Christensen , Joachim Mathiesen

Macromolecular crowding can influence polymer shapes, which is important for understanding the thermodynamic stability of polymer solutions and the structure and function of biopolymers (proteins, RNA, DNA) under confinement. We explore the…

Soft Condensed Matter · Physics 2014-10-27 Wei Kang Lim , Alan R. Denton
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