MODELING OF SELF-HEALING MATERIALS USING NANOCONTAINERS

The sur-fa-ce de-fects of the ma-te-rial are dif-fi-cult to de-tect and dif-fi-cult to re-pa-ir. A grand chal-len-ge in ma-te-ri-als sci-en-ce is to de-sign smart“ synthe-tic system that can re-esta-blish the con-ti-nu-ity and in-te-grity of the da-ma-ged area. Re-cent re-se-arch of the na-no-con-ta-i-ners with pro-cess of self-he-a-ling ma-te-ri-als pro-mi-ses a good ave-nue for new smart na-no-co-a-ting in-ter-fa-ces. We use two dif-fe-rent mo-de-ling ap-pro-ac-hes, di-scre-te and con-ti-nu-um, to in-ve-sti-ga-te co-a-ting sub-stra-tes that con-tain na-no-sca-le de-fects with he-a-ling agents. The di-scre-te mo-de-ling uses the Dis-si-pa-ti-ve Par-tic-le Dyna-mics (DPD) met-hod with usual three for-ces: re-pul-si-ve, dis-si-pa-ti-ve and ran-dom for-ces, as well as ad-di-ti-o-nal for-ces which bo-und he-a-ling agents to me-tal sub-stra-te. The con-ti-nu-um mo-de-ling uses Fi-ni-te Ele-ment Met-hod (FEM) with dif-fe-rent dif-fu-si-vity and flu-xes. The ini-tial re-sults show what the ne-ces-sary sha-re is, in per-cen-ta-ges, of the in-hi-bi-tors in na-no-con-ta-i-ners, to pro-tect the me-tal sur-fa-ce which is tre-a-ted with the-se he-a-ling agents. Furt-her ap-pli-ca-tion of mo-de-ling co-u-pled with da-ta mi-ning tec-hno-logy co-uld help fa-ster de-ve-lop-ment of new ac-ti-ve mul-ti-le-vel pro-tec-ti-ve systems for fu-tu-re ma-te-ri-als.