Browse By Author Name - Horsch, Mark - Fez

Tethered Sphere Bilayer 1

Iacovella, Christopher R. og Horsch, Mark — Thu, 21 Sep 2006 11:56:48

System being modeled:polymer tethered nanosphere Simulation method:Brownian Dynamics Slow Cooling from a high temperature disorded state to a final state with dimensionless temperature of 4.0 with an overall volume fraction of 0.45 Simulation Software:Glotzer Group Code Model used to describe the system:United Atom Bead Spring with Lennard Jones, WCA, and FENE

Tethered nanospheres

Horsch, Mark — Thu, 21 Sep 2006 11:46:57

Issue Date: 6-Jul-2004 Description: A System of 600 building blocks of composition A5B1C5 at a concentration of 0.85, was run starting at a temperature of infinite then instantaneously quenched to a temperature of 1.0*. The system was then run for 13,000,000 time steps forming a cylinders phase. Simulation Software: Glotzer Group Code Simulation Method: Brownian Dynamics Simulation Model: United Atom Bead Spring with Lennard-Jones and FENE

Perforated Lamellae phase

Horsch, Mark — Thu, 21 Sep 2006 11:15:21

Simulation Method: Brownian Dynamics Simulation Software: Glotzer Group Code Simulation Model: United Atom Bead Spring with Lennard-Jones and FENE

Icosahedral packing of polymer-tethered nanospheres and stabilization of the Gyroid Phase

Wed, 20 Sep 2006 11:00:01

We present results of molecular simulations that predict the phases formed by the selfassembly of model nanospheres functionalized with a single polymer “tether”. Microphase separation of the immiscible tethers and nanospheres induces the formation of the double gyroid, perforated lamella and crystalline bilayer phases. Confinement effects promote the formation of icosahedral arrangements of nanoparticles that help to stabilize the gyroid and perforated lamella phases. We also present a new metric for determining the local arrangement of particles in liquid and solid configurations.
Preprint, link to published version can be found below.

block copolymer - lamellae

Horsch, Mark — Mon, 15 May 2006 12:58:21

A system of 800 building blocks of composition A5B5 at a concentration of 0.85, was run starting at a temperature of infinity then instantaneously quenched to a temperature of chiN = =52.7. The system was then run for ~10^6 time steps forming a sheet (lamella) phase.

block copolymer - hexagonal cylinder phase

Horsch, Mark — Mon, 15 May 2006 11:24:53

A system of 800 building blocks of composition A5B5 at a concentration of 0.85, was run starting at a temperature of infinite then instantaneously quenched to a temperature of chiN = 57.9. The system was then run for ~ 3x10^6 time steps forming a cylindrical phase. Simulation Method: Brownian Dynamics Simulation Software: Glotzer Group Code Simulation Model: United Atom Bead Spring with Lennard-Jones and FENE