Please use this identifier to cite or link to this item:
|Title:||3133-3139 Ab initio elasticity of poly(lactic acid) crystals|
|Source:||Lin, T., Liu, X.-Y., He, C. (2010-03-11). 3133-3139 Ab initio elasticity of poly(lactic acid) crystals. Journal of Physical Chemistry B 114 (9) : 3133-3139. ScholarBank@NUS Repository. https://doi.org/10.1021/jp911198p|
|Abstract:||We investigate the elastic properties of poly(lactic acid) crystals using a first-principles pseudopotential plane wave method within the generalized gradient approximation of the density functional theory. Stiffness and compliance matrices of poly(L-lactic acid) (PLLA) α- and β-forms, and the stereocomplex (sc) between PLLA and poly(D-lactic acid) (PDLA) (50:50) sc-form are calculated using the finite strain technique. The results indicate that crystalline poly(lactic acid) is highly mechanical anisotropic. Contributions from the crystalline phase to the anisotropy of the elastic modulus in an uniaxially oriented poly(lactic acid) fiber are estimated on the basis of a cylindrically symmetric polycrystalline aggregate model. Both symmetry and orientation distribution of the crystals have been taken into account. Voigt and Reuss bounds of Young's moduli and shear moduli and Poisson's ratio are calculated from single crystal elastic properties. © 2010 American Chemical Society.|
|Source Title:||Journal of Physical Chemistry B|
|Appears in Collections:||Staff Publications|
Show full item record
Files in This Item:
There are no files associated with this item.
checked on Feb 21, 2018
WEB OF SCIENCETM
checked on Jan 17, 2018
checked on Feb 19, 2018
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.