caa a22 4500 463232313 CHVBK 20180405153246.0 cr unu---uuuuu 170326e20071101xx s 000 0 eng 10.1007/s10853-007-1820-6 doi (NATIONALLICENCE)springer-10.1007/s10853-007-1820-6 Atomistic-mesoscale coupled mechanical analysis of polymeric nanofibers [Elektronische Daten] [V. Unnikrishnan, G. Unnikrishnan, J. Reddy, C. Lim] Theoretical analysis of Poly-(l)-Lactic Acid (PLLA) nanofibers is a necessary step towards designing novel biomedical applications. This paper aims to analyze the mechanical properties of PLLA nanofibers so that optimal scaffolds in tissue engineering applications can be developed. We carry out analysis of PLLA nanofibers to estimate the mechanical properties from basic building blocks to the nanofibrous structures. A single PLLA nanofiber is made up of Shish-Kebab like fibrils intertwined together and can contain both amorphous and crystalline phases. The elastic modulus of the Lactic acid monomeric formation in the crystalline phase is derived using second-derivative of the strain energy using molecular dynamics simulation. The mechanical property of the Shish-Kebab fibril is derived by homogenization. The fiber modulus is then obtained using the Northolt and van der Hout's continuous chain theory. One of the significant contributions in this paper is the use of modified continuous chain theory, where a combined multiscale approach is used in the estimation of the mechanical properties of PLLA nanofibers. The theoretical results correlate well with reported experimental data. Springer Science+Business Media, LLC, 2007 Unnikrishnan V. Advanced Computational Mechanics Laboratory, Department of Mechanical Engineering, Texas A&M University, 77843-3123, College Station, TX, USA aut Unnikrishnan G. Advanced Computational Mechanics Laboratory, Department of Mechanical Engineering, Texas A&M University, 77843-3123, College Station, TX, USA aut Reddy J. Advanced Computational Mechanics Laboratory, Department of Mechanical Engineering, Texas A&M University, 77843-3123, College Station, TX, USA aut Lim C. Division of Bioengineering & Department of Mechanical Engineering, National University of Singapore, 9 Engineering Drive 1, 117576, Singapore, Singapore aut Journal of Materials Science Springer US; http://www.springer-ny.com 42/21(2007-11-01), 8844-8852 0022-2461 42:21<8844 2007 42 10853 https://doi.org/10.1007/s10853-007-1820-6 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s10853-007-1820-6 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Unnikrishnan V. Advanced Computational Mechanics Laboratory, Department of Mechanical Engineering, Texas A&M University, 77843-3123, College Station, TX, USA aut NATIONALLICENCE 700 1- Unnikrishnan G. Advanced Computational Mechanics Laboratory, Department of Mechanical Engineering, Texas A&M University, 77843-3123, College Station, TX, USA aut NATIONALLICENCE 700 1- Reddy J. Advanced Computational Mechanics Laboratory, Department of Mechanical Engineering, Texas A&M University, 77843-3123, College Station, TX, USA aut NATIONALLICENCE 700 1- Lim C. Division of Bioengineering & Department of Mechanical Engineering, National University of Singapore, 9 Engineering Drive 1, 117576, Singapore, Singapore aut NATIONALLICENCE 773 0- Journal of Materials Science Springer US; http://www.springer-ny.com 42/21(2007-11-01), 8844-8852 0022-2461 42:21<8844 2007 42 10853 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer