FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4307493751> ?p ?o ?g. }

• W4307493751 endingPage "5512" @default.
• W4307493751 startingPage "5503" @default.
• W4307493751 abstract "Nanoclusters are remarkably promising for the capture and activation of small molecules for fuel production or as precursors for other chemicals of high commercial value. Since this process occurs under a wide variety of experimental conditions, an improved atomistic understanding of the stability and phase transitions of these systems will be key to the development of successful technological applications. In this work, we proposed a theoretical framework to explore the potential energy surface and configuration space of nanoclusters to map the most important morphologies presented by those systems and the phase transitions between them. A fully automated process was developed, which combines global optimization techniques, classical molecular dynamics, and unsupervised machine learning algorithms. To showcase these capabilities of the approach, we explored the example of copper nanoclusters (Cun) where n = 13, 38, 55, 75, 98, 102, and 147. We not only reported a graphical potential energy surface for each size, but also explored the topology of the configuration space via structural and thermodynamic analyses. The effect of size on the potential energy surface and the critical temperature for solid–liquid phase transitions were also reported, highlighting the impact of magic numbers on those quantities." @default.
• W4307493751 created "2022-11-02" @default.
• W4307493751 creator A5009350451 @default.
• W4307493751 creator A5041084845 @default.
• W4307493751 creator A5055709467 @default.
• W4307493751 creator A5077065362 @default.
• W4307493751 creator A5079138395 @default.
• W4307493751 date "2022-10-27" @default.
• W4307493751 modified "2023-10-17" @default.
• W4307493751 title "Theoretical Framework Based on Molecular Dynamics and Data Mining Analyses for the Study of Potential Energy Surfaces of Finite-Size Particles" @default.
• W4307493751 cites W1535979303 @default.
• W4307493751 cites W1967025557 @default.
• W4307493751 cites W1968044889 @default.
• W4307493751 cites W2019465613 @default.
• W4307493751 cites W2030143939 @default.
• W4307493751 cites W2043424687 @default.
• W4307493751 cites W2047327932 @default.
• W4307493751 cites W2047620771 @default.
• W4307493751 cites W2061590003 @default.
• W4307493751 cites W2067244820 @default.
• W4307493751 cites W2075477371 @default.
• W4307493751 cites W2104489082 @default.
• W4307493751 cites W2155155530 @default.
• W4307493751 cites W2206541345 @default.
• W4307493751 cites W2323712420 @default.
• W4307493751 cites W2331788166 @default.
• W4307493751 cites W2559506073 @default.
• W4307493751 cites W2588452548 @default.
• W4307493751 cites W2606450799 @default.
• W4307493751 cites W2614799534 @default.
• W4307493751 cites W2807207389 @default.
• W4307493751 cites W2885550162 @default.
• W4307493751 cites W2899651397 @default.
• W4307493751 cites W2899987996 @default.
• W4307493751 cites W2902135992 @default.
• W4307493751 cites W2903556724 @default.
• W4307493751 cites W2912156287 @default.
• W4307493751 cites W2952284501 @default.
• W4307493751 cites W2991322118 @default.
• W4307493751 cites W2996484871 @default.
• W4307493751 cites W3043852312 @default.
• W4307493751 cites W3094982022 @default.
• W4307493751 cites W3105621768 @default.
• W4307493751 cites W3174164587 @default.
• W4307493751 cites W3186417371 @default.
• W4307493751 cites W3204329442 @default.
• W4307493751 cites W3204792370 @default.
• W4307493751 cites W4200142013 @default.
• W4307493751 doi "https://doi.org/10.1021/acs.jcim.2c00957" @default.
• W4307493751 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/36302503" @default.
• W4307493751 hasPublicationYear "2022" @default.
• W4307493751 type Work @default.
• W4307493751 citedByCount "2" @default.
• W4307493751 countsByYear W43074937512023 @default.
• W4307493751 crossrefType "journal-article" @default.
• W4307493751 hasAuthorship W4307493751A5009350451 @default.
• W4307493751 hasAuthorship W4307493751A5041084845 @default.
• W4307493751 hasAuthorship W4307493751A5055709467 @default.
• W4307493751 hasAuthorship W4307493751A5077065362 @default.
• W4307493751 hasAuthorship W4307493751A5079138395 @default.
• W4307493751 hasConcept C114614502 @default.
• W4307493751 hasConcept C121332964 @default.
• W4307493751 hasConcept C121864883 @default.
• W4307493751 hasConcept C147597530 @default.
• W4307493751 hasConcept C151342819 @default.
• W4307493751 hasConcept C159467904 @default.
• W4307493751 hasConcept C171250308 @default.
• W4307493751 hasConcept C184720557 @default.
• W4307493751 hasConcept C185592680 @default.
• W4307493751 hasConcept C192562407 @default.
• W4307493751 hasConcept C2778402822 @default.
• W4307493751 hasConcept C33923547 @default.
• W4307493751 hasConcept C41008148 @default.
• W4307493751 hasConcept C59593255 @default.
• W4307493751 hasConcept C97355855 @default.
• W4307493751 hasConceptScore W4307493751C114614502 @default.
• W4307493751 hasConceptScore W4307493751C121332964 @default.
• W4307493751 hasConceptScore W4307493751C121864883 @default.
• W4307493751 hasConceptScore W4307493751C147597530 @default.
• W4307493751 hasConceptScore W4307493751C151342819 @default.
• W4307493751 hasConceptScore W4307493751C159467904 @default.
• W4307493751 hasConceptScore W4307493751C171250308 @default.
• W4307493751 hasConceptScore W4307493751C184720557 @default.
• W4307493751 hasConceptScore W4307493751C185592680 @default.
• W4307493751 hasConceptScore W4307493751C192562407 @default.
• W4307493751 hasConceptScore W4307493751C2778402822 @default.
• W4307493751 hasConceptScore W4307493751C33923547 @default.
• W4307493751 hasConceptScore W4307493751C41008148 @default.
• W4307493751 hasConceptScore W4307493751C59593255 @default.
• W4307493751 hasConceptScore W4307493751C97355855 @default.
• W4307493751 hasFunder F4320307816 @default.
• W4307493751 hasFunder F4320320997 @default.
• W4307493751 hasIssue "22" @default.
• W4307493751 hasLocation W43074937511 @default.
• W4307493751 hasLocation W43074937512 @default.
• W4307493751 hasOpenAccess W4307493751 @default.
• W4307493751 hasPrimaryLocation W43074937511 @default.
• W4307493751 hasRelatedWork W1938789045 @default.

• next