Contemporary Materials II−1 (2011)

Contemporary Materials II−1 (2011) Page 18 of 26

MODELING OF SELF-HEALING MATERIALS USING NANOCONTAINERS
N. Filipović^1,2,*, D. Petrović^1,2, M. Obradović^1,2, A. Jovanović³, S. Jovanović³, D. Baloš³, M. Kojić^2,4

¹Faculty of Mechanical Engineering, University of Kragujevac, Sestre Janjić 6, Serbia
²Research and Development Center for Bioengineering, BioIRC, Kragujevac, Serbia
³Risk-technologies, GmbH, Stuttgart, Germany
⁴Methodist Hospital Research Institute, Houston, USA

Abstract
The sur­fa­ce de­fects of the ma­te­rial are dif­fi­cult to de­tect and dif­fi­cult to re­pa­ir. A grand chal­len­ge in ma­te­ri­als sci­en­ce is to de­sign „smart“ synthe­tic system that can re-esta­blish the con­ti­nu­ity and in­te­grity of the da­ma­ged area. Re­cent re­se­arch of the na­no­con­ta­i­ners with pro­cess of self-he­a­ling ma­te­ri­als pro­mi­ses a good ave­nue for new smart na­no­co­a­ting in­ter­fa­ces. We use two dif­fe­rent mo­de­ling ap­pro­ac­hes, di­scre­te and con­ti­nu­um, to in­ve­sti­ga­te co­a­ting sub­stra­tes that con­tain na­no­sca­le de­fects with he­a­ling agents. The di­scre­te mo­de­ling uses the Dis­si­pa­ti­ve Par­tic­le Dyna­mics (DPD) met­hod with usual three for­ces: re­pul­si­ve, dis­si­pa­ti­ve and ran­dom for­ces, as well as ad­di­ti­o­nal for­ces which bo­und he­a­ling agents to me­tal sub­stra­te. The con­ti­nu­um mo­de­ling uses Fi­ni­te Ele­ment Met­hod (FEM) with dif­fe­rent dif­fu­si­vity and flu­xes. The ini­tial re­sults show what the ne­ces­sary sha­re is, in per­cen­ta­ges, of the in­hi­bi­tors in na­no­con­ta­i­ners, to pro­tect the me­tal sur­fa­ce which is tre­a­ted with the­se he­a­ling agents. Furt­her ap­pli­ca­tion of mo­de­ling co­u­pled with da­ta mi­ning tec­hno­logy co­uld help fa­ster de­ve­lop­ment of new ac­ti­ve mul­ti-le­vel pro­tec­ti­ve systems for fu­tu­re ma­te­ri­als.

Keywords: self-he­a­ling ma­te­rial pro­cess, dis­si­pa­ti­ve par­tic­le dyna­mics (DPD), fi­ni­te elеment met­hods (FEM), na­no­co­a­ting.

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