TY - GEN
T1 - Supercomputer simulations of platelet activation in blood plasma at multiple scales
AU - Pothapragada, Seetha
AU - Deng, Yuefan
N1 - Publisher Copyright:
© 2014 IEEE.
PY - 2014/9/18
Y1 - 2014/9/18
N2 - Thrombogenicity in cardiovascular devices and pathologies is associated with flow-induced shear stress activation of platelets resulting from pathological flow patterns. This platelet activation process poses a major modeling challenge as it covers disparate spatiotemporal scales, from flow down to cellular, to subcellular, and to molecular scales. This challenge can be resolved by implementing multiscale simulations feasible only on supercomputers. The simulation must couple the macroscopic effects of blood plasma flow and stresses to a microscopic platelet dynamics. In an attempt to model this complex and multiscale behavior we have first developed a phenomenological three-dimensional coarse-grained molecular dynamics (CGMD) particle-based model. This model depicts resting platelets and simulates their characteristic filopodia formation observed during activation. Simulations results are compared with in vitro measurements of activated platelet morphological changes, such as the core axes and filopodia thicknesses and lengths, after exposure to the prescribed flow-induced shear stresses. More recently, we extended this model by incorporating the platelet in Dissipative Particle Dynamics (DPD) blood plasma flow and developed a dynamic coupling scheme that allows the simulation of flow-induced shear stress platelet activation. This portion of research is in progress.
AB - Thrombogenicity in cardiovascular devices and pathologies is associated with flow-induced shear stress activation of platelets resulting from pathological flow patterns. This platelet activation process poses a major modeling challenge as it covers disparate spatiotemporal scales, from flow down to cellular, to subcellular, and to molecular scales. This challenge can be resolved by implementing multiscale simulations feasible only on supercomputers. The simulation must couple the macroscopic effects of blood plasma flow and stresses to a microscopic platelet dynamics. In an attempt to model this complex and multiscale behavior we have first developed a phenomenological three-dimensional coarse-grained molecular dynamics (CGMD) particle-based model. This model depicts resting platelets and simulates their characteristic filopodia formation observed during activation. Simulations results are compared with in vitro measurements of activated platelet morphological changes, such as the core axes and filopodia thicknesses and lengths, after exposure to the prescribed flow-induced shear stresses. More recently, we extended this model by incorporating the platelet in Dissipative Particle Dynamics (DPD) blood plasma flow and developed a dynamic coupling scheme that allows the simulation of flow-induced shear stress platelet activation. This portion of research is in progress.
KW - coarse grained molecular dynamics
KW - parallel computing
KW - platelet activation
KW - platelet structure
KW - shear stress
UR - http://www.scopus.com/inward/record.url?scp=84908632087&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84908632087&partnerID=8YFLogxK
U2 - 10.1109/HPCSim.2014.6903802
DO - 10.1109/HPCSim.2014.6903802
M3 - Conference contribution
AN - SCOPUS:84908632087
T3 - Proceedings of the 2014 International Conference on High Performance Computing and Simulation, HPCS 2014
SP - 1011
EP - 1013
BT - Proceedings of the 2014 International Conference on High Performance Computing and Simulation, HPCS 2014
A2 - Smari, Waleed
A2 - Zeljkovic, Vesna
PB - Institute of Electrical and Electronics Engineers Inc.
T2 - 2014 International Conference on High Performance Computing and Simulation, HPCS 2014
Y2 - 21 July 2014 through 25 July 2014
ER -