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Cellular Level In-silico Modeling of Blood Rheology with An Improved Material Model for Red Blood Cells.

ABSTRACT: Many of the intriguing properties of blood originate from its cellular nature. Therefore, accurate modeling of blood flow related phenomena requires a description of the dynamics at the level of individual cells. This, however, presents several computational challenges that can only be addressed by high performance computing. We present Hemocell, a parallel computing framework which implements validated mechanical models for red blood cells and is capable of reproducing the emergent transport characteristics of such a complex cellular system. It is computationally capable of handling large domain sizes, thus it is able to bridge the cell-based micro-scale and macroscopic domains. We introduce a new material model for resolving the mechanical responses of red blood cell membranes under various flow conditions and compare it with a well established model. Our new constitutive model has similar accuracy under relaxed flow conditions, however, it performs better for shear rates over 1,500 s-1. We also introduce a new method to generate randomized initial conditions for dense mixtures of different cell types free of initial positioning artifacts.

SUBMITTER: Zavodszky G

PROVIDER: S-EPMC5539232 | biostudies-other | 2017

REPOSITORIES: biostudies-other

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Project description:We compare the predictive capability of two mathematical models for red blood cells (RBCs) focusing on blood flow in capillaries and arterioles. Both RBC models as well as their corresponding blood flows are based on the dissipative particle dynamics (DPD) method, a coarse-grained molecular dynamics approach. The first model employs a multiscale description of the RBC (MS-RBC), with its membrane represented by hundreds or even thousands of DPD-particles connected by springs into a triangular network in combination with out-of-plane elastic bending resistance. Extra dissipation within the network accounts for membrane viscosity, while the characteristic biconcave RBC shape is achieved by imposition of constraints for constant membrane area and constant cell volume. The second model is based on a low-dimensional description (LD-RBC) constructed as a closed torus-like ring of only 10 large DPD colloidal particles. They are connected into a ring by worm-like chain (WLC) springs combined with bending resistance. The LD-RBC model can be fitted to represent the entire range of nonlinear elastic deformations as measured by optical-tweezers for healthy and for infected RBCs in malaria. MS-RBCs suspensions model the dynamics and rheology of blood flow accurately for any vessel size but this approach is computationally expensive for vessel diameters above 100?m. Surprisingly, the much more economical suspensions of LD-RBCs also capture the blood flow dynamics and rheology accurately except for small-size vessels comparable to RBC diameter. In particular, the LD-RBC suspensions are shown to properly capture the experimental data for the apparent viscosity of blood and its cell-free layer (CFL) in tube flow. Taken together, these findings suggest a hierarchical approach in modeling blood flow in the arterial tree, whereby the MS-RBC model should be employed for capillaries and arterioles below 100?m, the LD-RBC model for arterioles, and the continuum description for arteries.

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Cellular Level In-silico Modeling of Blood Rheology with An Improved Material Model for Red Blood Cells.

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