Please use this identifier to cite or link to this item: http://hdl.handle.net/10397/13421
Title: A combined experimental and computational study on the material properties of shape memory polyurethane
Authors: Zhang, C
Hu, J 
Ji, F
Fan, Y
Liu, Y
Keywords: Dynamic mechanical analysis
Fully atomistic molecular dynamics
Material property
Polyurethane
Issue Date: 2012
Publisher: Springer
Source: Journal of molecular modeling, 2012, v. 18, no. 4, p. 1263-1271 How to cite?
Journal: Journal of Molecular Modeling 
Abstract: A type of shape memory polyurethane with 60 wt% hard segments (SMPU60) was prepared. Its material properties were tested by dynamic mechanical analysis (DMA) and Instron, and simulated using fully atomistic molecular dynamics (MD). The glass transition temperature (T g) of SMPU60 determined by DMA is 316 K, which is slightly lower than that estimated through MD simulations (T g=328 K) , showing the calculated T g is in good agreement with experimental data. A complex hydrogen bonding network was revealed with the calculation of radial distribution functions (RDFs). The C=O···H bond is the predominant hydrogen-bonding interaction. With increasing temperature, both the hydrogen bonding and the moduli decreased, and the dissociation of intermolecular hydrogen bonding induced the decrease of the moduli.
URI: http://hdl.handle.net/10397/13421
DOI: 10.1007/s00894-011-1098-0
Appears in Collections:Journal/Magazine Article

Access
View full-text via PolyU eLinks SFX Query
Show full item record

SCOPUSTM   
Citations

11
Last Week
0
Last month
0
Citations as of Nov 18, 2017

WEB OF SCIENCETM
Citations

12
Last Week
0
Last month
0
Citations as of Nov 15, 2017

Page view(s)

46
Last Week
3
Last month
Checked on Nov 20, 2017

Google ScholarTM

Check

Altmetric



Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.