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Multiscale Modeling of Biological Protein Materials – Deformation and Failure

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Trends in Computational Nanomechanics

Part of the book series: Challenges and Advances in Computational Chemistry and Physics ((COCH,volume 9))

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Abstract

Multi-scale properties of biological protein materials have been the focal point of extensive investigations over the past decades, leading to formation of a research field that connects biology and materials science, referred to as materiomics. In this chapter we review atomistic based modeling approaches applied to study the scale-dependent mechanical behavior of biological protein materials, focused on mechanical deformation and failure properties. Specific examples are provided to illustrate the application of numerical methods that link atomistic to mesoscopic and larger continuum scales. The discussion includes the formulation of atomistic simulation methods, as well as examples that demonstrate their application in case studies focused on size effects of the fracture behavior of protein materials. The link of atomistic scale features of molecular structures to structural scales at length-scales of micrometers will be discussed in the analysis of the mechanics of a simple model of the nuclear lamin network, revealing how protein networks with structural flaws cope with mechanical load

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Authors and Affiliations

  1. Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, MA, USA

    Sinan Keten, Jeremie Bertaud, Dipanjan Sen, Zhiping Xu, Theodor Ackbarow & Markus J. Buehler

  2. Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA, USA

    Dipanjan Sen

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  1. Sinan Keten
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  2. Jeremie Bertaud
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  3. Dipanjan Sen
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  4. Zhiping Xu
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Correspondence to Markus J. Buehler .

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  1. Dept. Mechanical Engineering, University of Minnesota, Church St. SE., 111, Minneapolis, 55455, U.S.A.

    Traian Dumitrica

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Keten, S., Bertaud, J., Sen, D., Xu, Z., Ackbarow, T., Buehler, M.J. (2010). Multiscale Modeling of Biological Protein Materials – Deformation and Failure. In: Dumitrica, T. (eds) Trends in Computational Nanomechanics. Challenges and Advances in Computational Chemistry and Physics, vol 9. Springer, Dordrecht. https://doi.org/10.1007/978-1-4020-9785-0_17

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