Matches in SemOpenAlex for { <https://semopenalex.org/work/W2950244548> ?p ?o ?g. }
- W2950244548 endingPage "16812" @default.
- W2950244548 startingPage "16804" @default.
- W2950244548 abstract "We provide a new reactive force field (ReaxFF) for simulations of silicon oxycarbide (SiCO) ceramics and of their syntheses from inorganic polymer precursors. The validity of the force field is extensively tested against experimental and computational thermochemical data. Its performance in simulation at elevated temperatures is gauged by the results of comprehensive ab initio molecular dynamics simulations. We apply the force field to the formation of amorphous SiCO in a simulated polymer pyrolysis. Modeling results are in good agreement with experimental observations and allow new insights into the formation of graphene segregations embedded in an amorphous oxycarbide matrix. The new ReaxFF for Si–C–O–H compounds enables large-scale and long-time atomistic simulations with unprecedented fidelity." @default.
- W2950244548 created "2019-06-27" @default.
- W2950244548 creator A5023849623 @default.
- W2950244548 creator A5077401838 @default.
- W2950244548 creator A5077711422 @default.
- W2950244548 date "2019-06-10" @default.
- W2950244548 modified "2023-10-03" @default.
- W2950244548 title "Reactive Force Field for Simulations of the Pyrolysis of Polysiloxanes into Silicon Oxycarbide Ceramics" @default.
- W2950244548 cites W143426376 @default.
- W2950244548 cites W1508015035 @default.
- W2950244548 cites W1970127494 @default.
- W2950244548 cites W1970964580 @default.
- W2950244548 cites W1979544533 @default.
- W2950244548 cites W1981368803 @default.
- W2950244548 cites W199457359 @default.
- W2950244548 cites W2001567980 @default.
- W2950244548 cites W2002060408 @default.
- W2950244548 cites W2007395042 @default.
- W2950244548 cites W2007762941 @default.
- W2950244548 cites W2019465613 @default.
- W2950244548 cites W2019640145 @default.
- W2950244548 cites W2021142536 @default.
- W2950244548 cites W2024071064 @default.
- W2950244548 cites W2029499829 @default.
- W2950244548 cites W2030623219 @default.
- W2950244548 cites W2030976617 @default.
- W2950244548 cites W2031926102 @default.
- W2950244548 cites W2032486074 @default.
- W2950244548 cites W2033187512 @default.
- W2950244548 cites W2038885948 @default.
- W2950244548 cites W2044591029 @default.
- W2950244548 cites W2046785952 @default.
- W2950244548 cites W2050941924 @default.
- W2950244548 cites W2054704030 @default.
- W2950244548 cites W2057477511 @default.
- W2950244548 cites W2060912190 @default.
- W2950244548 cites W2062573480 @default.
- W2950244548 cites W2063384380 @default.
- W2950244548 cites W2065906124 @default.
- W2950244548 cites W2072521711 @default.
- W2950244548 cites W2072712738 @default.
- W2950244548 cites W2075158175 @default.
- W2950244548 cites W2076208271 @default.
- W2950244548 cites W2077276532 @default.
- W2950244548 cites W2087698390 @default.
- W2950244548 cites W2088293837 @default.
- W2950244548 cites W2092976652 @default.
- W2950244548 cites W2096116195 @default.
- W2950244548 cites W2098693095 @default.
- W2950244548 cites W2103540105 @default.
- W2950244548 cites W2106924200 @default.
- W2950244548 cites W2108029030 @default.
- W2950244548 cites W2108916522 @default.
- W2950244548 cites W2155155530 @default.
- W2950244548 cites W2155314010 @default.
- W2950244548 cites W2164607903 @default.
- W2950244548 cites W2181285674 @default.
- W2950244548 cites W2187984540 @default.
- W2950244548 cites W2317243639 @default.
- W2950244548 cites W2317602563 @default.
- W2950244548 cites W2318060275 @default.
- W2950244548 cites W2319850423 @default.
- W2950244548 cites W2322394490 @default.
- W2950244548 cites W2339149607 @default.
- W2950244548 cites W2417609708 @default.
- W2950244548 cites W2552620176 @default.
- W2950244548 cites W2735665637 @default.
- W2950244548 cites W2748159016 @default.
- W2950244548 cites W2768506669 @default.
- W2950244548 cites W2788369630 @default.
- W2950244548 cites W2809419151 @default.
- W2950244548 cites W2830118884 @default.
- W2950244548 cites W2888371648 @default.
- W2950244548 cites W2890656281 @default.
- W2950244548 cites W2894399243 @default.
- W2950244548 cites W2894651358 @default.
- W2950244548 cites W2904361390 @default.
- W2950244548 cites W291767825 @default.
- W2950244548 cites W3106152874 @default.
- W2950244548 cites W2900550996 @default.
- W2950244548 doi "https://doi.org/10.1021/acs.jpcc.9b03810" @default.
- W2950244548 hasPublicationYear "2019" @default.
- W2950244548 type Work @default.
- W2950244548 sameAs 2950244548 @default.
- W2950244548 citedByCount "21" @default.
- W2950244548 countsByYear W29502445482019 @default.
- W2950244548 countsByYear W29502445482020 @default.
- W2950244548 countsByYear W29502445482021 @default.
- W2950244548 countsByYear W29502445482022 @default.
- W2950244548 countsByYear W29502445482023 @default.
- W2950244548 crossrefType "journal-article" @default.
- W2950244548 hasAuthorship W2950244548A5023849623 @default.
- W2950244548 hasAuthorship W2950244548A5077401838 @default.
- W2950244548 hasAuthorship W2950244548A5077711422 @default.
- W2950244548 hasBestOaLocation W29502445482 @default.
- W2950244548 hasConcept C10803110 @default.
- W2950244548 hasConcept C127413603 @default.
- W2950244548 hasConcept C134132462 @default.