Computational framework for nanoscale self-assembly of collagen fiber

被引:1
作者
Pidaparti, Ramana M.
Murugesan, Karthik
Yokota, Hiroki
机构
[1] Virginia Commonwealth Univ, Dept Mech Engn, Richmond, VA 23284 USA
[2] Purdue Univ, Sch Engn & Technol, Dept Mech Engn, IUPUI, Indianapolis, IN 46202 USA
[3] IUPUI, Dept Biomed Engn, Indianapolis, IN 46202 USA
[4] IUPUI, Dept Anat & Cell Biol, Indianapolis, IN 46202 USA
关键词
computations; self-assembly; collagen fiber; cellular automata;
D O I
10.1166/jctn.2006.3048
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Molecular self-assembly is emerging as a new route to produce novel materials and it can build sophisticated structures and materials. Novel self-assembling structures with controllable mechanical properties at various levels of length scales can be studied by carrying out simulations using different sets of self-assembly rules. A computational framework is developed to investigate the collagen fiber self-assembly process using a cellular automata (CA) approach. The preliminary results of the simulations were compared with the experimental studies of collagen self-assembly In our study, the growing tip of this simulation model is in agreement with the experimental observations of the in-vitro self-assembly of collagen. In addition, we have conducted two simulations by varying the CA rules to obtain rod-like self assembly structures. Based on the results obtained it can be concluded that the computational framework developed is suitable to model the self-assembly process in biological and electronic materials.
引用
收藏
页码:643 / 648
页数:6
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