Chain length effects on the thermodynamic properties of n-alkane crystals
Article Abstract:
A study was conducted that used molecular simulations to further the understanding of the influence of lamellar thickness on the properties of polymer crystallites. Simulations of ideal polyethylene crystals were used to gauge properties in the limit of large lamellar thickness and crystals of small n-alkane molecules were used to gauge properties in the limit of small lamellar thickness. Experimental methodology and results are presented.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 1999
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Inherent structure analysis of the thermal history dependence of yielding in glasses
Article Abstract:
Molecular simulations and an inherent structure analysis are used to investigate the way in which the response of a glass to stress depends on its thermal history. The results show that as glasses are strained, more highly annealed glasses remain in their initial metabasin up to larger strains.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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Elastic stability of polyethylene and n-alkane crystals from molecular simulation
Article Abstract:
The elastic stability limits of polyethylene and n-alkane crystals under external stresses are determined using molecular simulations.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2000
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