| Literature DB >> 26373817 |
Ido Azuri1, Elena Meirzadeh1, David Ehre1, Sidney R Cohen2, Andrew M Rappe3, Meir Lahav1, Igor Lubomirsky4, Leeor Kronik5.
Abstract
Young's moduli of selected amino acid molecular crystals were studied both experimentally and computationally using nanoindentation and dispersion-corrected density functional theory. The Young modulus is found to be strongly facet-dependent, with some facets exhibiting exceptionally high values (as large as 44 GPa). The magnitude of Young's modulus is strongly correlated with the relative orientation between the underlying hydrogen-bonding network and the measured facet. Furthermore, we show computationally that the Young modulus can be as large as 70-90 GPa if facets perpendicular to the primary direction of the hydrogen-bonding network can be stabilized. This value is remarkably high for a molecular solid and suggests the design of hydrogen-bond networks as a route for rational design of ultra-stiff molecular solids.Entities:
Keywords: Young’s modulus; amino acids; crystallography; density functional calculations; mechanical properties
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Year: 2015 PMID: 26373817 DOI: 10.1002/anie.201505813
Source DB: PubMed Journal: Angew Chem Int Ed Engl ISSN: 1433-7851 Impact factor: 15.336