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- Jochen Zausch, Jürgen Horbach, +4 authors Matthias Fuchs
- 2008

We investigate stresses and particle motion during the start-up of flow in a colloidal dispersion close to arrest into a glassy state. A combination of molecular dynamics simulation, mode-coupling theory and confocal microscopy experiments is used to investigate the origins of the widely observed stress overshoot and (previously not reported)… (More)

- Annabel Meyer, Jürgen Horbach, Walter Kob, Florian KARGL, Helmut Schober
- Physical review letters
- 2004

We use inelastic neutron scattering and molecular dynamics simulation to investigate the interplay between the structure and the fast sodium ion diffusion in various sodium silicates. With increasing temperature and decreasing density the structure factors exhibit an emerging prepeak around 0.9 A(-1). We show that this prepeak has its origin in the… (More)

- Lothar Wondraczek, John C. Mauro, +4 authors Tanguy Rouxel
- Advanced materials
- 2011

The development of new glassy materials is key for addressing major global challenges in energy, medicine, and advanced communications systems. For example, thin, flexible, and large-area glass substrates will play an enabling role in the development of flexible displays, roll-to-roll processing of solar cells, next-generation touch-screen devices, and… (More)

- Subir K. Das, Sanjay Puri, Jürgen Horbach, Kurt Binder
- Physical review. E, Statistical, nonlinear, and…
- 2006

We use molecular dynamics (MD) to simulate an unstable homogeneous mixture of binary fluids (AB), confined in a slit pore of width D. The pore walls are assumed to be flat and structureless and attract one component of the mixture (A) with the same strength. The pairwise interactions between the particles are modeled by the Lennard-Jones potential, with… (More)

A tutorial introduction to the technique of Molecular Dynamics (MD) is given, and some characteristic examples of applications are described. The purpose and scope of these simulations and the relation to other simulation methods is discussed, and the basic MD algorithms are described. The sampling of intensive variables (temperature T , pressure p) in runs… (More)

- Apratim Chatterji, Jürgen Horbach
- The Journal of chemical physics
- 2005

We present a hybrid method for the simulation of colloidal systems that combines molecular dynamics (MD) with the Lattice Boltzmann (LB) scheme. The LB method is used as a model for the solvent in order to take into account the hydrodynamic mass and momentum transport through the solvent. The colloidal particles are propagated via MD and they are coupled to… (More)

- Gaurav Prakash Shrivastav, Pinaki Chaudhuri, Jürgen Horbach
- Physical review. E
- 2016

Under external mechanical loading, glassy materials, ranging from soft matter systems to metallic alloys, often respond via formation of inhomogeneous flow patterns, during yielding. These inhomogeneities can be precursors to catastrophic failure, implying that a better understanding of their underlying mechanisms could lead to the design of smarter… (More)

- Marco Laurati, Kevin J. Mutch, +8 authors Stefan U. Egelhaaf
- Journal of physics. Condensed matter : an…
- 2012

A combination of confocal microscopy and rheology experiments, Brownian dynamics (BD) and molecular dynamics (MD) simulations and mode coupling theory (MCT) have been applied in order to investigate the effect of shear rate on the transient dynamics and stress-strain relations in supercooled and glassy systems under shear. Immediately after shear is… (More)

- Vili Heinonen, Alex Mijailovic, +4 authors Hartmut Löwen
- The Journal of chemical physics
- 2013

We determine the orientation-resolved interfacial free energy between a body-centered-cubic (bcc) crystal and the coexisting fluid for a many-particle system interacting via a Yukawa pair potential. For two different screening strengths, we compare results from molecular dynamics computer simulations, density functional theory, and a phase-field-crystal… (More)

- Jürgen Horbach, Daan Frenkel
- Physical review. E, Statistical, nonlinear, and…
- 2001

We present a simulation scheme based on the lattice-Boltzmann method to simulate the dynamics of charged colloids in an electrolyte. In our model we describe the electrostatics on the level of a Poisson-Boltzmann equation and the hydrodynamics of the fluid by the linearized Navier-Stokes equations. We verify our simulation scheme by means of a… (More)