Everything you always wanted to know about SDPD⋆ (⋆but were afraid to ask)

Ellero, Marco; Español, Pep

doi:10.1007/s10483-018-2255-6

Cited by 51 publications

(35 citation statements)

References 101 publications

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“…Both methods model hydrodynamic effects and properly represent thermal fluctuations. 41 While the fluid properties in SDPD can be set directly, in DPD they need to be calculated a priori for a specific set of parameters. Red blood cell (RBC) membranes in 3D are modeled by triangulated bead-spring networks, which conserve their area and volume and possess bending rigidity and shear elasticity.…”

Section: Methodsmentioning

confidence: 99%

Influence of particle size and shape on their margination and wall-adhesion: implications in drug delivery vehicle design across nano-to-micro scale

et al. 2018

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Intravascular drug delivery technologies majorly utilize spherical nanoparticles as carrier vehicles. Their targets are often at the blood vessel wall or in the tissue beyond the wall, such that vehicle localization towards the wall (margination) becomes a pre-requisite for their function. To this end, some studies have indicated that under flow environment, micro-particles have a higher propensity than nano-particles to marginate to the wall. Also, non-spherical particles theoretically have a higher area of surface-adhesive interactions than spherical particles. However, detailed systematic studies that integrate various particle size and shape parameters across nano-to-micro scale to explore their wall-localization behavior in RBC-rich blood flow, have not been reported. We address this gap by carrying out computational and experimental studies utilizing particles of four distinct shapes (spherical, oblate, prolate, rod) spanning nano- to-micro scale sizes. Computational studies were performed using the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) package, with Dissipative Particle Dynamics (DPD). For experimental studies, model particles were made from neutrally buoyant fluorescent polystyrene spheres, that were thermo-stretched into non-spherical shapes and all particles were surface-coated with biotin. Using microfluidic setup, the biotin-coated particles were flowed over avidin-coated surfaces in absence versus presence of RBCs, and particle adhesion and retention at the surface was assessed by inverted fluorescence microscopy. Our computational and experimental studies provide a simultaneous analysis of different particle sizes and shapes for their retention in blood flow and indicate that in presence of RBCs, micro-scale non-spherical particles undergo enhanced 'margination + adhesion' compared to nano-scale spherical particles, resulting in their higher binding. These results provide important insight regarding improved design of vascularly targeted drug delivery systems.

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Section: Methodsmentioning

confidence: 99%

Influence of particle size and shape on their margination and wall-adhesion: implications in drug delivery vehicle design across nano-to-micro scale

et al. 2018

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“…5). Therefore, the invariance of the viscous forces under the global rotation (13) and (14). The data (×) for Ωout = 0 and Ωin = −0.0001 overlap with those for Ωout = 0.0001 and Ωin = 0 (•, △, , and ⋄ for η1/η0 = 1, 2, 4, and 10, respectively).…”

Section: B Circular Laminar Flowsmentioning

confidence: 87%

Angular-momentum conservation in discretization of the Navier-Stokes equation for viscous fluids

Noguchi

2019

Phys. Rev. E

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Although the Navier-Stokes equation (NSE) is derived under angular-momentum conservation (AMC), numerical simulation methods often lack it. Here, we reveal that AMC violations result from implementation of the degenerated viscous terms of NSE. To maintain AMC, these degenerated terms must be separately integrated in accordance with their stress origins. As observed in particlebased hydrodynamics methods, the violation causes artificial rotations in multi-component fluids with different viscosities. At the interface between two fluids or with a mobile solid object, AMC must be satisfied, whereas AMC can be neglected in bulk fluids. We also clarify that the condition for constant fluid rotation as a rigid body in a container rotating at a constant speed is not the AMC of the stresses, but the invariance of the viscous forces under a global rotation. To confirm our theory, we simulated the circular laminar flows of single-and binary-component fluids using two-dimensional Lagrangian finite volume methods. The results show excellent agreement with the analytical predictions for fluids with and without AMC.

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“…In simulations, a coarse-grained RBC model [29][30][31][32] is employed and coupled to a mesoscopic representation of fluid flow by the smoothed dissipative particle dynamics method. [33][34][35][36] The simulation approach is similar to previous work, 16 where a good quantitative agreement between simulations and corresponding experiments has been achieved.…”

Section: Models and Methodsmentioning

confidence: 95%

Deformation and dynamics of erythrocytes govern their traversal through microfluidic devices with a deterministic lateral displacement architecture

et al. 2019

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Deterministic lateral displacement (DLD) microfluidic devices promise versatile and precise processing of biological samples. However, this prospect has been realized so far only for rigid spherical particles and remains limited for biological cells due to the complexity of cell dynamics and deformation in microfluidic flow. We employ mesoscopic hydrodynamics simulations of red blood cells (RBC) in DLD devices with circular posts to better understand the interplay between cell behavior in complex microfluidic flow and sorting capabilities of such devices. We construct a mode diagram of RBC behavior (e.g. displacement, zig-zagging, and intermediate modes) and identify several regimes of RBC dynamics (e.g. tumbling, tank-treading, and trilobe motion). Furthermore, we link the complex interaction dynamics of RBCs with the post to their effective cell size and discuss relevant physical mechanisms governing the dynamic cell states. In conclusion, sorting of RBCs in DLD devices based on their shear elasticity is in general possible, but requires fine-tuning of flow conditions to targeted mechanical properties of the RBCs.

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Everything you always wanted to know about SDPD⋆ (⋆but were afraid to ask)

Cited by 51 publications

References 101 publications

Influence of particle size and shape on their margination and wall-adhesion: implications in drug delivery vehicle design across nano-to-micro scale

Influence of particle size and shape on their margination and wall-adhesion: implications in drug delivery vehicle design across nano-to-micro scale

Angular-momentum conservation in discretization of the Navier-Stokes equation for viscous fluids

Deformation and dynamics of erythrocytes govern their traversal through microfluidic devices with a deterministic lateral displacement architecture

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