Matches in SemOpenAlex for { <https://semopenalex.org/work/W4249640551> ?p ?o ?g. }
Showing items 1 to 60 of
60
with 100 items per page.
- W4249640551 abstract "<a></a><a>Quantitative comparison of atomistic simulations with experiment for glass-forming materials is made difficult by the vast mismatch between computationally and experimentally accessible timescales. Recently, we presented results for an epoxy network showing that the computation of specific volume vs. temperature as a function of cooling rate in conjunction with the time–temperature superposition principle (TTSP) enables direct quantitative comparison of simulation with experiment. Here, we follow-up and present results for the translational dynamics of the same material over a temperature range from the rubbery to the glassy state. Using TTSP, we obtain results for translational dynamics out to 10<sup>9</sup> s in TTSP reduced time – a macroscopic timescale. Further, we show that the mean squared displacement (MSD) trends of the network atoms can be collapsed onto a master curve at a reference temperature. The computational master curve is compared with the experimental master curve of the creep compliance for the same network using literature data. We find that the temporal features of the two data sets can be quantitatively compared providing an integrated view relating molecular level dynamics to the macroscopic thermophysical measurement. The time-shift factors needed for the superposition also show excellent agreement with experiment further establishing the veracity of the approach</a>." @default.
- W4249640551 created "2022-05-12" @default.
- W4249640551 creator A5038855473 @default.
- W4249640551 creator A5061075788 @default.
- W4249640551 date "2019-06-27" @default.
- W4249640551 modified "2023-10-17" @default.
- W4249640551 title "Integration of Atomistic Simulation with Experiment Using Time−Temperature Superposition for a Cross-Linked Epoxy Network" @default.
- W4249640551 doi "https://doi.org/10.26434/chemrxiv.8326172" @default.
- W4249640551 hasPublicationYear "2019" @default.
- W4249640551 type Work @default.
- W4249640551 citedByCount "0" @default.
- W4249640551 crossrefType "posted-content" @default.
- W4249640551 hasAuthorship W4249640551A5038855473 @default.
- W4249640551 hasAuthorship W4249640551A5061075788 @default.
- W4249640551 hasConcept C107551265 @default.
- W4249640551 hasConcept C110572138 @default.
- W4249640551 hasConcept C121332964 @default.
- W4249640551 hasConcept C121864883 @default.
- W4249640551 hasConcept C14036430 @default.
- W4249640551 hasConcept C149912024 @default.
- W4249640551 hasConcept C15744967 @default.
- W4249640551 hasConcept C192562407 @default.
- W4249640551 hasConcept C27753989 @default.
- W4249640551 hasConcept C542102704 @default.
- W4249640551 hasConcept C59593255 @default.
- W4249640551 hasConcept C62520636 @default.
- W4249640551 hasConcept C78458016 @default.
- W4249640551 hasConcept C86803240 @default.
- W4249640551 hasConcept C97355855 @default.
- W4249640551 hasConceptScore W4249640551C107551265 @default.
- W4249640551 hasConceptScore W4249640551C110572138 @default.
- W4249640551 hasConceptScore W4249640551C121332964 @default.
- W4249640551 hasConceptScore W4249640551C121864883 @default.
- W4249640551 hasConceptScore W4249640551C14036430 @default.
- W4249640551 hasConceptScore W4249640551C149912024 @default.
- W4249640551 hasConceptScore W4249640551C15744967 @default.
- W4249640551 hasConceptScore W4249640551C192562407 @default.
- W4249640551 hasConceptScore W4249640551C27753989 @default.
- W4249640551 hasConceptScore W4249640551C542102704 @default.
- W4249640551 hasConceptScore W4249640551C59593255 @default.
- W4249640551 hasConceptScore W4249640551C62520636 @default.
- W4249640551 hasConceptScore W4249640551C78458016 @default.
- W4249640551 hasConceptScore W4249640551C86803240 @default.
- W4249640551 hasConceptScore W4249640551C97355855 @default.
- W4249640551 hasLocation W42496405511 @default.
- W4249640551 hasOpenAccess W4249640551 @default.
- W4249640551 hasPrimaryLocation W42496405511 @default.
- W4249640551 hasRelatedWork W13639673 @default.
- W4249640551 hasRelatedWork W14077030 @default.
- W4249640551 hasRelatedWork W1651260 @default.
- W4249640551 hasRelatedWork W2152402 @default.
- W4249640551 hasRelatedWork W25155834 @default.
- W4249640551 hasRelatedWork W2649364 @default.
- W4249640551 hasRelatedWork W5143721 @default.
- W4249640551 hasRelatedWork W6239871 @default.
- W4249640551 hasRelatedWork W6580956 @default.
- W4249640551 hasRelatedWork W8953242 @default.
- W4249640551 isParatext "false" @default.
- W4249640551 isRetracted "false" @default.
- W4249640551 workType "article" @default.