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Disentangling Self-Atomic Motions in Polyisobutylene by Molecular Dynamics Simulations

We present fully atomistic molecular dynamics simulations on polyisobutylene (PIB) in a wide temperature range above the glass transition. The cell is validated by direct comparison of magnitudes computed from the simulation and measured by neutron scattering on protonated samples reported in previo...

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Vydáno v:Polymers (Basel)
Hlavní autoři: Khairy, Yasmin, Alvarez, Fernando, Arbe, Arantxa, Colmenero, Juan
Médium: Artigo
Jazyk:Inglês
Vydáno: MDPI 2021
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC7927061/
https://ncbi.nlm.nih.gov/pubmed/33672368
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/polym13040670
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