FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2898020971> ?p ?o ?g. }

• W2898020971 endingPage "10942" @default.
• W2898020971 startingPage "10934" @default.
• W2898020971 abstract "Understanding the underlying mechanism of crystal nucleation during solidification is a fundamental aspect in the prediction and control of materials properties. Classical nucleation theory (CNT) assumes that homogeneous nucleation occurs via random fluctuations within the supercooled liquid, that the structure of the growing clusters resembles the most stable bulk phase, and that the nucleus size is the sole reaction coordinate (RC) of the process. Many materials are, however, known to exhibit multiple steps during crystallization, forming different polymorphs. As a consequence, more complex RCs are often required to capture all relevant information about the process. In this work, we employ transition path sampling together with a maximum likelihood analysis of candidate order parameters to identify suitable reaction coordinates for the nucleation mechanism during solidification in Ni. In contrast to CNT, the analysis of the reweighted path ensemble shows that a pre-structured liquid region that surrounds the crystal cluster is a relevant order parameter that enhances the RC and therefore plays a key role in the description of the growing nucleus and the interfacial free energy. We demonstrate that pre-structured liquid clusters that emerge within the liquid act as precursors of the crystallization in a non-classical two-step mechanism which predetermines the coordination of the polymorphs that are being selected." @default.
• W2898020971 created "2018-10-26" @default.
• W2898020971 creator A5036576075 @default.
• W2898020971 creator A5038264689 @default.
• W2898020971 date "2018-10-26" @default.
• W2898020971 modified "2023-09-26" @default.
• W2898020971 title "Maximum Likelihood Analysis of Reaction Coordinates during Solidification in Ni" @default.
• W2898020971 cites W1566688548 @default.
• W2898020971 cites W1679266808 @default.
• W2898020971 cites W1892704286 @default.
• W2898020971 cites W1963989017 @default.
• W2898020971 cites W1964584029 @default.
• W2898020971 cites W1975681221 @default.
• W2898020971 cites W1978375794 @default.
• W2898020971 cites W1988529738 @default.
• W2898020971 cites W1991926457 @default.
• W2898020971 cites W1996399067 @default.
• W2898020971 cites W2008586266 @default.
• W2898020971 cites W2011242225 @default.
• W2898020971 cites W2017722130 @default.
• W2898020971 cites W2019465613 @default.
• W2898020971 cites W2029281448 @default.
• W2898020971 cites W2033858596 @default.
• W2898020971 cites W2039099769 @default.
• W2898020971 cites W2044472996 @default.
• W2898020971 cites W2047137396 @default.
• W2898020971 cites W2051039246 @default.
• W2898020971 cites W2074413216 @default.
• W2898020971 cites W2074473238 @default.
• W2898020971 cites W2083571075 @default.
• W2898020971 cites W2085933730 @default.
• W2898020971 cites W2092204065 @default.
• W2898020971 cites W2106784671 @default.
• W2898020971 cites W2112191384 @default.
• W2898020971 cites W2113587677 @default.
• W2898020971 cites W2117038113 @default.
• W2898020971 cites W2122638517 @default.
• W2898020971 cites W2124349166 @default.
• W2898020971 cites W2155430461 @default.
• W2898020971 cites W2168175751 @default.
• W2898020971 cites W2169850281 @default.
• W2898020971 cites W2318804409 @default.
• W2898020971 cites W2391869064 @default.
• W2898020971 cites W2521401415 @default.
• W2898020971 cites W2607171897 @default.
• W2898020971 cites W2799459683 @default.
• W2898020971 cites W3100648851 @default.
• W2898020971 cites W3101380325 @default.
• W2898020971 cites W4234626541 @default.
• W2898020971 doi "https://doi.org/10.1021/acs.jpcb.8b08718" @default.
• W2898020971 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/30362758" @default.
• W2898020971 hasPublicationYear "2018" @default.
• W2898020971 type Work @default.
• W2898020971 sameAs 2898020971 @default.
• W2898020971 citedByCount "12" @default.
• W2898020971 countsByYear W28980209712020 @default.
• W2898020971 countsByYear W28980209712021 @default.
• W2898020971 countsByYear W28980209712022 @default.
• W2898020971 countsByYear W28980209712023 @default.
• W2898020971 crossrefType "journal-article" @default.
• W2898020971 hasAuthorship W2898020971A5036576075 @default.
• W2898020971 hasAuthorship W2898020971A5038264689 @default.
• W2898020971 hasBestOaLocation W28980209712 @default.
• W2898020971 hasConcept C112964491 @default.
• W2898020971 hasConcept C119621388 @default.
• W2898020971 hasConcept C121332964 @default.
• W2898020971 hasConcept C121864883 @default.
• W2898020971 hasConcept C147789679 @default.
• W2898020971 hasConcept C159467904 @default.
• W2898020971 hasConcept C164866538 @default.
• W2898020971 hasConcept C18553476 @default.
• W2898020971 hasConcept C185592680 @default.
• W2898020971 hasConcept C18762648 @default.
• W2898020971 hasConcept C192562407 @default.
• W2898020971 hasConcept C199360897 @default.
• W2898020971 hasConcept C203036418 @default.
• W2898020971 hasConcept C2780393986 @default.
• W2898020971 hasConcept C2781285689 @default.
• W2898020971 hasConcept C41008148 @default.
• W2898020971 hasConcept C44280652 @default.
• W2898020971 hasConcept C61048295 @default.
• W2898020971 hasConcept C62520636 @default.
• W2898020971 hasConcept C97355855 @default.
• W2898020971 hasConceptScore W2898020971C112964491 @default.
• W2898020971 hasConceptScore W2898020971C119621388 @default.
• W2898020971 hasConceptScore W2898020971C121332964 @default.
• W2898020971 hasConceptScore W2898020971C121864883 @default.
• W2898020971 hasConceptScore W2898020971C147789679 @default.
• W2898020971 hasConceptScore W2898020971C159467904 @default.
• W2898020971 hasConceptScore W2898020971C164866538 @default.
• W2898020971 hasConceptScore W2898020971C18553476 @default.
• W2898020971 hasConceptScore W2898020971C185592680 @default.
• W2898020971 hasConceptScore W2898020971C18762648 @default.
• W2898020971 hasConceptScore W2898020971C192562407 @default.
• W2898020971 hasConceptScore W2898020971C199360897 @default.
• W2898020971 hasConceptScore W2898020971C203036418 @default.
• W2898020971 hasConceptScore W2898020971C2780393986 @default.
• W2898020971 hasConceptScore W2898020971C2781285689 @default.

• next