Imposition of physical parameters in dissipative particle dynamics

In the mesoscale simulations by the dissipative particle dynamics (DPD), the motion of a fluid is modelled by a set of particles interacting in a pairwise manner, and it has been shown to be governed by the Navier–Stokes equation, with its physical properties, such as viscosity, Schmidt number, isothermal compressibility, relaxation and inertia time scales, in fact its whole rheology resulted from the choice of the DPD model parameters. In this work, we will explore the response of a DPD fluid with respect to its parameter space, where the model input parameters can be chosen in advance so that (i) the ratio between the relaxation and inertia time scales is fixed; (ii) the isothermal compressibility of water at room temperature is enforced; and (iii) the viscosity and Schmidt number can be specified as inputs. These impositions are possible with some extra degrees of freedom in the weighting functions for the conservative and dissipative forces. Numerical experiments show an improvement in the solution quality over conventional DPD parameters/weighting functions, particularly for the number density distribution and computed stresses

Investigation of particles size effects in Dissipative Particle Dynamics (DPD) modelling of colloidal suspensions

In the Dissipative Particle Dynamics (DPD) simulation of suspension, the fluid (solvent) and colloidal particles are replaced by a set of DPD particles and therefore their relative sizes (as measured by their exclusion zones) can affect the maximal packing fraction of the colloidal particles. In this study, we investigate roles of the conservative, dissipative and random forces in this relative size ratio (colloidal/solvent). We propose a mechanism of adjusting the DPD parameters to properly model the solvent phase (the solvent here is supposed to have the same isothermal compressibility to that of water)

BEM-RBF approach for viscoelastic flow analysis

A new BE-only method is achieved for the numerical solution of viscoelastic flows. A decoupled algorithm is chosen where the fluid is considered as being composed of an artificial Newtonian component and the remaining component is accordingly defined from the original constitutive equation. As a result the problem is viewed as that of solving for the flow of a Newtonian liquid with the non-linear viscoelastic effects acting as a pseudo body force. Thus the general solution is obtained by adding a particular solution to the homogeneous one. The former is obtained by a BEM for the base Newtonian fluid and the latter is obtained analytically by approximating the pseudo body force in terms of suitable radial basis functions (RBFs). Embedded in the approximation of the pseudo body force is the calculation of the polymer stress. This is achieved by solving the constitutive equation using RBF networks (RBFNs). Both the calculations of the particular solution and the polymer stress are therefore meshless and the resultant BEM-RBF method is a BE-only method. The complete elimination of any structured domain discretisation is demonstrated with a number of flow problems involving the Upper Convected Maxwell (UCM) and the Oldroyd-B fluids

A note on dissipative particle dynamics (DPD) modelling of simple fluids

In this paper, we show that a Dissipative Particle Dynamics (DPD) model of a viscous Newtonian fluid may actually produce a linear viscoelastic fluid. We demonstrate that a single set of DPD particles can be used to model a linear viscoelastic fluid with its physical parameters, namely the dynamical viscosity and the relaxation time in its memory kernel, determined from the DPD system at equilibrium. The emphasis of this study is placed on (i) the estimation of the linear viscoelastic effect from the standard parameter choice; and (ii) the investigation of the dependence of the DPD transport properties on the length and time scales, which are introduced from the physical phenomenon under examination. Transverse-current auto-correlation functions (TCAF) in Fourier space are employed to study the effects of the length scale, while analytic expressions of the shear stress in a simple small amplitude oscillatory shear flow are utilised to study the effects of the time scale. A direct mechanism for imposing the particle diffusion time and fluid viscosity in the hydrodynamic limit on the DPD system is also proposed

Faxen relations in solids - a generalized approach to particle motion in elasticity and viscoelasticity

A movable inclusion in an elastic material oscillates as a rigid body with six degrees of freedom. Displacement/rotation and force/moment tensors which express the motion of the inclusion in terms of the displacement and force at arbitrary exterior points are introduced. Using reciprocity arguments two general identities are derived relating these tensors. Applications of the identities to spherical particles provide several new results, including simple expressions for the force and moment on the particle due to plane wave excitation.Comment: 11 pages, 4 figure

Process evaluation of a behaviour change approach to improving clinical practice for detecting hereditary cancer

© 2019 The Author(s). Background: This retrospective process evaluation reports on the application of a 1-year implementation program to increase identification and management of patients at high risk of a hereditary cancer syndrome. The project used the Theoretical Domains Framework Implementation (TDFI) approach, a promising implementation methodology, used successfully in the United Kingdom to address patient safety issues. This Australian project run at two large public hospitals aimed to increase referrals of patients flagged as being at risk of Lynch syndrome on the basis of a screening test to genetic services. At the end of the project, the pathologists' processes had changed, but the referral rate remained inconsistent and low. Methods: Semi-structured interviews explored participants' perceptions of the TDFI approach and Health services researchers wrote structured reflections. Interview transcripts and reflections were coded initially against implementation outcomes for the various TDFI approach activities: acceptability, appropriateness, feasibility, value for time cost, and adoption. On a second pass, themes were coded around challenges to the approach. Results: Interviews were held with nine key project participants including pathologists, oncologists, surgeons, genetic counsellors and an administrative officer. Two health services researchers wrote structured reflections. The first of two major themes was 'Theory-related challenges', with subthemes of accessibility of theory underpinning the TDFI, commitment to that theory-based approach, and the problem of complexity. The second theme was 'Practical challenges' with subthemes of stakeholder management, navigating the system, and perceptions of the problem. Health services researchers reflected on the benefits of bridging professional divides and facilitating collective learning and problem solving, but noted frustrations around clinicians' time constraints that led to sparse interactions with the team, and lack of authority to effect change themselves. Conclusions: Mixed success of adoption as an outcome was attributed to the complexity and highly nuanced nature of the setting. This made identifying the target behaviour, a key step in the TDFI approach, challenging. Introduced changes in the screening process led to new, unexpected issues yet to be addressed. Strategies to address challenges are presented, including using an internal facilitator with a focus on applying a theory-based implementation approach

An improved dissipative particle dynamics scheme

Dissipative particle dynamics (DPD) and smoothed dissipative particle dynamics (sDPD) have become most popular numerical techniques for simulating mesoscopic flow phenomena in fluid systems. Several DPD/sDPD simulations in the literature indicate that \textcolor{red}{the model fluids} should be designed with their dynamic response, measured by the Schmidt number, in a relevant range in order to reach a good agreement with the experimental results. In this paper, we propose a new dissipative weighting function (or a new kernel) for the DPD (or the sDPD) formulation, which allows both the viscosity and the Schmidt number to be independently specified as input parameters. We also show that some existing dissipative functions/kernels are special cases of the proposed one, and the imposed viscosity of the present DPD/sDPD system has a lower and upper limit. Numerical verification of the proposed function/kernel is conducted in viscometric flows

Exponential-time differencing schemes for low-mass DPD systems

Several exponential-time differencing (ETD) schemes are introduced into the method of dissipative particle dynamics (DPD) to solve the resulting stiff stochastic differential equations in the limit of small mass, where emphasis is placed on the handling of the fluctuating terms (i.e., those involving the random forces). Their performances are investigated numerically in some test viscometric flows. Results obtained show that the present schemes outperform the velocity-Verlet algorithm regarding both the satisfaction of equipartition and the maximum allowable time step

A dissipative particle dynamics model for thixotropic materials exhibiting pseudo-yield stress behaviour

Many materials (e.g., gels, colloids, concentrated cohesive sediments, etc.) exhibit a stable solid form at rest, and liquify once subjected to an applied stress exceeding a critical value – a yield-stress behaviour. This can be qualitatively explained by the forming and destruction of the fluid microstructure [1], and it may be modelled as a thixotropic and yield stress material. In this paper, we propose a mesoscopic model which is able to mimic a thixotropic and yield stress behaviour using a particle-based technique known as dissipative particle dynamics (DPD). The DPD technique satisfies conservation of mass and momentum and it has been applied successfully for a number of problems involving complex-structure fluids, such as polymer solutions, suspensions of rigid particles, droplets, biological fluids, etc. In this work, an indirect linkage dissipative particle model (ILDP) is proposed based on qualitative microstructural physics, which results in a non-Newtonian fluid with observed yield stress and thixotropic properties. The model comprises of two types, or species, of DPD particles – with only repulsive conservative force between the same species, and with repulsive force at short range and attractive force at long range between different species. Numerical results show that the proposed DPD fluid can represent some observed complex behaviours, such as yield stress and thixotropic effects