Non-equilibrium molecular dynamics of jamming in thermostatted shear flows

Calum Williams, Mark Haw (Editor), Leo Lue (Editor)

Research output: Contribution to conferencePoster

Abstract

Jamming is a physical phenomenon that occurs in many different systems on a multitude of length scales, from colloids in microchannels to granular particles in silos to vehicles in traffic. Jamming is a striking example of how 'microrheology'—microscopic particle interactions and configurations—can generate surprising macroscopic response. However, the underlying nature of jamming, and the physical mechanisms which lead to its onset, remain a topic of intense debate. In this work, we perform non-equilibrium molecular dynamics simulations of sheared colloidal suspensions where different definitions of the system temperature (e.g. kinetic or configurational temperature) are thermostatted [1,2].
The thermostat modifies the equation of motion of the particles in the system, mimicking the influence of the interstitial fluid. We examine the influence of the choice of the definition of temperature on the jamming behaviour in the system. The aim of this work is to create a thermostat which adequately reproduces the hydrodynamic interactions and the jamming response in a densely packed colloidal suspension. We study jamming statistics from the simulation such as fluctuations and time correlations in the pressure and viscosity, as well as the definition of the temperature, and compare them with similar statistics from an experimental sheared colloidal suspension.

Conference

ConferenceBritish Society of Rheology Mid-Winter Meeting 2015
CountryUnited Kingdom
CityGlasgow
Period14/12/1515/12/15

Fingerprint

Jamming
Shear flow
Molecular dynamics
Thermostats
Suspensions
Statistics
Temperature
Particle interactions
Colloids
Microchannels
Telecommunication traffic
Particles (particulate matter)
Equations of motion
Hydrodynamics
Viscosity
Kinetics
Fluids
Computer simulation

Keywords

  • molecular dynamics
  • shear flows
  • colloidal suspension

Cite this

Williams, C., Haw, M. (Ed.), & Lue, L. (Ed.) (2015). Non-equilibrium molecular dynamics of jamming in thermostatted shear flows. Poster session presented at British Society of Rheology Mid-Winter Meeting 2015, Glasgow, United Kingdom.
Williams, Calum ; Haw, Mark (Editor) ; Lue, Leo (Editor). / Non-equilibrium molecular dynamics of jamming in thermostatted shear flows. Poster session presented at British Society of Rheology Mid-Winter Meeting 2015, Glasgow, United Kingdom.
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author = "Calum Williams and Mark Haw and Leo Lue",
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note = "British Society of Rheology Mid-Winter Meeting 2015 ; Conference date: 14-12-2015 Through 15-12-2015",

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Williams, C, Haw, M (ed.) & Lue, L (ed.) 2015, 'Non-equilibrium molecular dynamics of jamming in thermostatted shear flows' British Society of Rheology Mid-Winter Meeting 2015, Glasgow, United Kingdom, 14/12/15 - 15/12/15, .

Non-equilibrium molecular dynamics of jamming in thermostatted shear flows. / Williams, Calum; Haw, Mark (Editor); Lue, Leo (Editor).

2015. Poster session presented at British Society of Rheology Mid-Winter Meeting 2015, Glasgow, United Kingdom.

Research output: Contribution to conferencePoster

TY - CONF

T1 - Non-equilibrium molecular dynamics of jamming in thermostatted shear flows

AU - Williams,Calum

A2 - Haw,Mark

A2 - Lue,Leo

PY - 2015/12/14

Y1 - 2015/12/14

N2 - Jamming is a physical phenomenon that occurs in many different systems on a multitude of length scales, from colloids in microchannels to granular particles in silos to vehicles in traffic. Jamming is a striking example of how 'microrheology'—microscopic particle interactions and configurations—can generate surprising macroscopic response. However, the underlying nature of jamming, and the physical mechanisms which lead to its onset, remain a topic of intense debate. In this work, we perform non-equilibrium molecular dynamics simulations of sheared colloidal suspensions where different definitions of the system temperature (e.g. kinetic or configurational temperature) are thermostatted [1,2]. The thermostat modifies the equation of motion of the particles in the system, mimicking the influence of the interstitial fluid. We examine the influence of the choice of the definition of temperature on the jamming behaviour in the system. The aim of this work is to create a thermostat which adequately reproduces the hydrodynamic interactions and the jamming response in a densely packed colloidal suspension. We study jamming statistics from the simulation such as fluctuations and time correlations in the pressure and viscosity, as well as the definition of the temperature, and compare them with similar statistics from an experimental sheared colloidal suspension.

AB - Jamming is a physical phenomenon that occurs in many different systems on a multitude of length scales, from colloids in microchannels to granular particles in silos to vehicles in traffic. Jamming is a striking example of how 'microrheology'—microscopic particle interactions and configurations—can generate surprising macroscopic response. However, the underlying nature of jamming, and the physical mechanisms which lead to its onset, remain a topic of intense debate. In this work, we perform non-equilibrium molecular dynamics simulations of sheared colloidal suspensions where different definitions of the system temperature (e.g. kinetic or configurational temperature) are thermostatted [1,2]. The thermostat modifies the equation of motion of the particles in the system, mimicking the influence of the interstitial fluid. We examine the influence of the choice of the definition of temperature on the jamming behaviour in the system. The aim of this work is to create a thermostat which adequately reproduces the hydrodynamic interactions and the jamming response in a densely packed colloidal suspension. We study jamming statistics from the simulation such as fluctuations and time correlations in the pressure and viscosity, as well as the definition of the temperature, and compare them with similar statistics from an experimental sheared colloidal suspension.

KW - molecular dynamics

KW - shear flows

KW - colloidal suspension

UR - http://www.gla.ac.uk/schools/engineering/research/divisions/biomedical/seminars/bsrwinter2015/

M3 - Poster

ER -

Williams C, Haw M, (ed.), Lue L, (ed.). Non-equilibrium molecular dynamics of jamming in thermostatted shear flows. 2015. Poster session presented at British Society of Rheology Mid-Winter Meeting 2015, Glasgow, United Kingdom.