A framework for adaptive multibody modeling of biopolymers

Imad M. Khan, Mohammad Poursina, Jeremy Laflin, Kurt Anderson

Research output: Chapter in Book/Report/Conference proceedingConference contribution

2 Scopus citations

Abstract

Due to the challenges involved with modeling complex molecular systems, it is essential that computationally intelligent schemes be produced that put the computational effort where and when it is needed to capture important phenomena, and maintain needed accuracy at minimum costs. In this work, we investigate and propose some key issues for the adaptive modeling and simulation of the dynamic behavior of highly complex multiscale processes. This is accomplished through the appropriate use of an adaptive hybridization of existing, newly developed, and proposed advanced multibody dynamics algorithms and modeling strategies for forward dynamic simulation. The adaptive multiscale simulation technique discussed here benefits from the highly parallelizable structure of the divide and conquer (DCA) framework for modeling multibody systems. These algorithms include Flexible Divide and Conquer Algorithm (FDCA), Orthogonal Complement Divide-and-Conquer Algorithm (ODCA) and generalized momentum approaches for modeling discontinuous changes in the system. These algorithms permits a large complex molecule (or systems of molecules) to be seamlessly treated using a hierarchy of reduced order models ranging from atomistic to the continuum scale.

Original languageEnglish (US)
Title of host publication9th International Conference on Multibody Systems, Nonlinear Dynamics, and Control
PublisherAmerican Society of Mechanical Engineers
ISBN (Print)9780791855966
DOIs
StatePublished - Jan 1 2013
EventASME 2013 International Design Engineering Technical Conferences and Computers and Information in Engineering Conference, IDETC/CIE 2013 - Portland, OR, United States
Duration: Aug 4 2013Aug 7 2013

Publication series

NameProceedings of the ASME Design Engineering Technical Conference
Volume7 A

Other

OtherASME 2013 International Design Engineering Technical Conferences and Computers and Information in Engineering Conference, IDETC/CIE 2013
CountryUnited States
CityPortland, OR
Period8/4/138/7/13

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ASJC Scopus subject areas

  • Modeling and Simulation
  • Mechanical Engineering
  • Computer Science Applications
  • Computer Graphics and Computer-Aided Design

Cite this

Khan, I. M., Poursina, M., Laflin, J., & Anderson, K. (2013). A framework for adaptive multibody modeling of biopolymers. In 9th International Conference on Multibody Systems, Nonlinear Dynamics, and Control (Proceedings of the ASME Design Engineering Technical Conference; Vol. 7 A). American Society of Mechanical Engineers. https://doi.org/10.1115/DETC2013-13085