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Molecular Dynamics Simulation of Size-Dependent Structural and Thermal Properties of Polymer Nanofibers

โœ Scribed by Curgul, Sezen; Van Vliet, Krystyn J.; Rutledge, Gregory C.

Book ID
120452899
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
141 KB
Volume
40
Category
Article
ISSN
0024-9297

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Molecular dynamics simulations for nanometer scale polyethylene (PE) particles generated with up to 12000 atoms are presented to gain insight into some thermodynamic properties of ultra fine polymer powders. By computing molecular volume and total energy as a function of temperature, we obtained mel