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Please use this identifier to cite or link to this item: http://repository.iitr.ac.in/handle/123456789/5366
Title: A hybrid atomistic approach for the mechanics of deoxyribonucleic acid molecules
Authors: Adhikari S.
Saavedra Flores E.I.
Scarpa F.
Chowdhury, Rajib
Friswell M.I.
Published in: Journal of Nanotechnology in Engineering and Medicine
Abstract: The paper proposes a new modeling approach for the prediction and analysis of the mechanical properties in deoxyribonucleic acid (DNA) molecules based on a hybrid atomistic-finite element continuum representation. The model takes into account of the complex geometry of the DNA strands, a structural mechanics representation of the atomic bonds existing in the molecules and the mass distribution of the atoms by using a lumped parameter model. A 13-base-pair DNA model is used to illustrate the proposed approach. The properties of the equivalent bond elements used to represent the DNA model have been derived. The natural frequencies, vibration mode shapes, and equivalent continuum mechanical properties of the DNA strand are obtained. The results from our model compare well with a high-fidelity molecular mechanics simulation and existing MD and experimental data from open literature. ¬© 2013 by ASME.
Citation: Journal of Nanotechnology in Engineering and Medicine(2013), 4(4): -
URI: https://doi.org/10.1115/1.4027690
http://repository.iitr.ac.in/handle/123456789/5366
Issue Date: 2013
Publisher: Web Portal ASME (American Society of Mechanical Engineers)
ISSN: 19492944
Author Scopus IDs: 24436440900
36705083200
24484008800
10046255200
7006696771
Author Affiliations: Adhikari, S., College of Engineering, Swansea University, Singleton Park, Swansea SA2 8PP, United Kingdom
Saavedra Flores, E.I., Departamento de Ingenieria en Obras Civiles, Universidad de Santiago de Chile, Avenue Ecuador 3659, Santiago, Chile
Scarpa, F., Bristol Centre for Nanoscience and Quantum Information (NSQI), Tyndall Avenue, Bristol BS8 1FD, United Kingdom
Chowdhury, R., Department of Civil Engineering, Indian Institute of Technology Roorkee, Roorkee 247 667, India
Friswell, M.I., College of Engineering, Swansea University, Singleton Park, Swansea SA2 8PP, United Kingdom
Appears in Collections:Journal Publications [CE]

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