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Molecular dynamics simulation of triple junction migration

✍ Scribed by M Upmanyu; D.J Srolovitz; L.S Shvindlerman; G Gottstein

Publisher: Elsevier Science
Year: 2002
Tongue: English
Weight: 758 KB
Volume: 50
Category: Article
ISSN: 1359-6454
DOI: 10.1016/s1359-6454(01)00446-3

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## Abstract The chain rigidity of poly(__p__‐hydroxybenzoate) was estimated through the theoretical evaluation of its persistence length (__L__~p~). A non‐Brownian molecular dynamics (MD) simulation of an isolated chain with 20 monomeric units was performed. The sampled conformational population wa