Abstract
One of the most important aspects of understanding the influence of interfaces on natural material properties is the knowledge of how stress transfer occurs across the organic–inorganic interfaces. The multicomponent hierarchical structure of biomaterials results in organic–inorganic interfaces appearing at different length scales, i.e., between the basic components at the nanoscale, between the mineralized fibrils at the microscale, and between the layers of the multilayered structures at micro- or macroscale. For a given peak tensile strength of a given material, which position of total strength is attributed to interface strength? What is the contribution of interface sliding in time-dependent deformation observed in a simple tension test of a given material sample? This chapter focuses on addressing such questions using molecular simulations.
This is a preview of subscription content, log in via an institution to check access.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
References
W.J. Landis et al., Mineralization of collagen may occur on fibril surfaces: evidence from conventional and high-voltage electron microscopy and three-dimensional imaging. J. Struct. Biol. 117, 24–35 (1996)
W.J. Landis, K.J. Hodgens, J. Arena, M.J. Song, B.F. McEwen, Structural relations between collagen and mineral in bone as determined by high voltage electron microscopic tomography. Microsc. Res. Tech. 33, 192–202 (1996)
P. Fratzl, N. Fratzlzelman, K. Klaushofer, G. Vogl, K. Koller, Nucleation and growth of mineral crystals in bone studied by small-angle X-ray scattering. Calcif. Tissue Int. 48, 407–413 (1991)
S. Weiner, Y. Talmon, W. Traub, Electron diffraction of mollusc shell organic matrices and their relationship to the mineral phase. Int. J. Biol. Macromol. 5, 325–328 (1983)
A. Al‐Sawalmih et al., Microtexture and chitin/calcite orientation relationship in the mineralized exoskeleton of the American lobster. Adv. Funct. Mater. 18, 3307–3314 (2008)
T. Qu, V. Tomar, in Proceedings of the Society of Engineering Science 51st Annual Technical Meeting, October 1–3, 2014. ed. by A. Bajaj, P. Zavattieri, M. Koslowski, T. Siegmund (Purdue University Libraries Scholarly Publishing Services, West Lafayette, 2014)
T. Qu, V. Tomar, Influence of interfacial interactions on deformation mechanism and interface viscosity in chitin-calcite interfaces. Acta Biomater. 25, 325–338 (2015). doi:10.1016/j.actbio.2015.06.034
J.C. Phillips et al., Scalable molecular dynamics with NAMD. J. Comput. Chem. 26, 1781–1802 (2005)
S. Frankland, V. Harik, Analysis of carbon nanotube pull-out from a polymer matrix. Surf. Sci. 525, L103–L108 (2003)
F. Lelievre, D. Bernache-Assollant, T. Chartier, Influence of powder characteristics on the rheological behaviour of hydroxyapatite slurries. J. Mater. Sci. Mater. Med. 7, 489–494 (1996)
Y. Ichikawa, K. Kawamura, N. Fujii, T. Nattavut, Molecular dynamics and multiscale homogenization analysis of seepage/diffusion problem in bentonite clay. Int. J. Numer. Methods Eng. 54, 1717–1749 (2002)
D.M. Knapp et al., Rheology of reconstituted type I collagen gel in confined compression. J. Rheol. 41, 971–993 (1997)
V.H. Barocas, A.G. Moon, R.T. Tranquillo, The fibroblast-populated collagen microsphere assay of cell traction force—Part 2: Measurement of the cell traction parameter. J. Biomech. Eng. 117, 161–170 (1995)
J.M. Dealy, J. Wang, Melt rheology and Its Applications in the Plastics Industry (Springer, Netherlands, 2013)
G. Bylund, T. Pak, Dairy Processing Handbook (Tetra Pak Processing Systems AB, Lund, 2003)
A. Franck, Understanding Rheology of Thermoplastic Polymers (TA Instruments, New Castle, DE, 2004)
S. Newman, M. Cloitre, C. Allain, G. Forgacs, D. Beysens, Viscosity and elasticity during collagen assembly in vitro: relevance to matrix‐driven translocation. Biopolymers 41, 337–347 (1997)
A. Gautieri, S. Vesentini, A. Redaelli, R. Ballarini, Modeling and measuring visco-elastic properties: from collagen molecules to collagen fibrils. Int. J. Nonlinear Mech. 56, 25–33 (2013)
A. Gautieri, S. Vesentini, A. Redaelli, M.J. Buehler, Viscoelastic properties of model segments of collagen molecules. Matrix Biol. 31, 141–149 (2012). doi:10.1016/j.matbio.2011.11.005
P.K. Hansma et al., Sacrificial bonds in the interfibrillar matrix of bone. J. Musculoskelet. Nueronal Interact. 5, 313 (2005)
E. Thormann et al., Embedded proteins and sacrificial bonds provide the strong adhesive properties of gastroliths. Nanoscale 4, 3910–3916 (2012)
L. Eberhardsteiner, C. Hellmich, S. Scheiner, Layered water in crystal interfaces as source for bone viscoelasticity: arguments from a multiscale approach. Comput. Methods Biomech. Biomed. Eng. 17, 48–63 (2014)
M. Shahidi, B. Pichler, C. Hellmich, Viscous interfaces as source for material creep: a continuum micromechanics approach. Eur. J. Mech. A Solid 45, 41–58 (2014)
M.A. Meyers, J. McKittrick, P.-Y. Chen, Structural biological materials: critical mechanics-materials connections. Science 339, 773–779 (2013)
B. An, X. Zhao, D. Zhang, On the mechanical behavior of bio-inspired materials with non-self-similar hierarchy. J. Mech. Behav. Biomed. Mater. 34, 8–17 (2014). doi:10.1016/j.jmbbm.2013.12.028
Z. Zhang, Y.-W. Zhang, H. Gao, On optimal hierarchy of load-bearing biological materials. Proc. R. Soc. B Biol. Sci. (2010). doi:10.1098/rspb.2010.1093
Z. Shuchun, W. Yueguang, Effective elastic modulus of bone-like hierarchical materials. Acta Mech. Solida Sin. 20, 198–205 (2007)
Author information
Authors and Affiliations
Rights and permissions
Copyright information
© 2015 Springer Science+Business Media New York
About this chapter
Cite this chapter
Tomar, V., Qu, T., Dubey, D.K., Verma, D., Zhang, Y. (2015). Multiscaling for Molecular Models: Investigating Interface Thermomechanics. In: Multiscale Characterization of Biological Systems. Springer, New York, NY. https://doi.org/10.1007/978-1-4939-3453-9_6
Download citation
DOI: https://doi.org/10.1007/978-1-4939-3453-9_6
Published:
Publisher Name: Springer, New York, NY
Print ISBN: 978-1-4939-3451-5
Online ISBN: 978-1-4939-3453-9
eBook Packages: Biomedical and Life SciencesBiomedical and Life Sciences (R0)