#### Filter Results:

- Full text PDF available (8)

#### Publication Year

1996

2017

- This year (1)
- Last 5 years (7)
- Last 10 years (12)

#### Publication Type

#### Co-author

#### Journals and Conferences

Learn More

- Carlos A. Braga, Karl P Travis
- The Journal of chemical physics
- 2005

We propose two new thermostats which can be employed in computer simulations to ensure that two different variants of the configurational temperature fluctuate around their equilibrium values. These new thermostats differ from one previously introduced by Delhommelle and Evans [Mol. Phys. 99, 1825 (2001)] in several important ways. First, our thermostats… (More)

- Michael I. Ojovan, Karl P Travis, Russell J. Hand
- Journal of physics. Condensed matter : an…
- 2007

Doremus's model of viscosity assumes that viscous flow in amorphous materials is mediated by broken bonds (configurons). The resulting equation contains four coefficients, which are directly related to the entropies and enthalpies of formation and motion of the configurons. Thus by fitting this viscosity equation to experimental viscosity data these… (More)

- Junfang Zhang, Billy D. Todd, Karl P Travis
- The Journal of chemical physics
- 2004

We use the nonlocal linear hydrodynamic constitutive model, proposed by Evans and Morriss [Statistical Mechanics of Nonequilibrium Liquids (Academic, London, 1990)], for computing an effective spatially dependent shear viscosity of inhomogeneous nonequilibrium fluids. The model is applied to a simple atomic fluid undergoing planar Poiseuille flow in a… (More)

- Karl P Travis, Mark Bankhead, Kevin P. Good, Scott L Owens
- The Journal of chemical physics
- 2007

We introduce an improved method of parametrizing the Groot-Warren version of dissipative particle dynamics (DPD) by exploiting a correspondence between DPD and Scatchard-Hildebrand regular solution theory. The new parametrization scheme widens the realm of applicability of DPD by first removing the restriction of equal repulsive interactions between like… (More)

- Carlos A. Braga, Karl P Travis
- The Journal of chemical physics
- 2006

We propose two new algorithms for generating isothermal-isobaric molecular dynamics. The algorithms are based on an extended phase space dynamics where two extra degrees of freedom, representing the thermostat and the barostat, are included. These new methods adopt a totally different approach towards molecular dynamics simulation in the isothermal-isobaric… (More)

- Martin Whittle, Karl P Travis
- The Journal of chemical physics
- 2010

We develop a core-modified dissipative particle dynamics model of colloidal systems which includes an extra term to counteract depletion forces. Results are presented covering the full range of volume fractions. Radial distribution functions for the suspending fluid are shown to change significantly as the volume fraction of colloid increases. Equilibrium… (More)

- Karl P Travis, Carlos A. Braga
- The Journal of chemical physics
- 2008

A new configurational temperature thermostat suitable for molecules with holonomic constraints is derived. This thermostat has a simple set of motion equations, can generate the canonical ensemble in both position and momentum space, acts homogeneously through the spatial coordinates, and does not intrinsically violate the constraints. Our new… (More)

- Adam Archer, Henry R. Foxhall, +5 authors John A. Purton
- 2015

(2014). Order parameter and connectivity topology analysis of crystalline ceramics for nuclear waste immobilization. General rights This document is made available in accordance with publisher policies. Please cite only the published version using the reference above. Full terms of use are available: Explore Bristol Research is a digital archive and the… (More)

We examine a generalised Navier-Stokes theory applicable to fluids composed of non-spherical molecules. We compare the theoretical predictions for flow velocity and viscosity with results obtained from nonequilibrium molecular dynamics (NEMD) simulations of a fluid undergoing gravity fed flow down a rectangular channel. We study two different fluids: one… (More)

- Carlos A. Braga, Karl P Travis
- The Journal of chemical physics
- 2012

We present the results obtained from a systematic equilibrium molecular dynamics study of the effect of torsional flexibility on the diffusion and viscosity of a series of linear alkanes. To make unambiguous comparisons between molecules with torsional flexibility and those without, we use the frozen distribution sampling (FDS) method introduced by Travis… (More)