Matches in SemOpenAlex for { <https://semopenalex.org/work/W3122375192> ?p ?o ?g. }
Showing items 1 to 60 of
60
with 100 items per page.
- W3122375192 abstract "A major breakthrough for multiscale reactive simulations is the ReaxFF reactive force field [#471] developed by van Duin and me in 2001. ReaxFF has enabled the simulations of wide-ranging reactive systems, including shock impact on an energetic materials polymer composites (model for a plastic bonded explosive, PBX) with 3.7 million atoms for 60 ns (see [#951]), the simulation of the effect of hydration on the strength of concrete [#978], elucidation of the mechanism of complex ammoxidation catalysts [#934], and the product distributions from hypervelocity impact with molecular clusters [1004]. Recently, we have developed a new generation, RexPoN that may provide even higher accuracy." @default.
- W3122375192 created "2021-02-01" @default.
- W3122375192 creator A5014675782 @default.
- W3122375192 date "2021-01-01" @default.
- W3122375192 modified "2023-09-23" @default.
- W3122375192 title "Force Fields for Reactive Dynamics (ReaxFF, RexPoN)" @default.
- W3122375192 doi "https://doi.org/10.1007/978-3-030-18778-1_47" @default.
- W3122375192 hasPublicationYear "2021" @default.
- W3122375192 type Work @default.
- W3122375192 sameAs 3122375192 @default.
- W3122375192 citedByCount "0" @default.
- W3122375192 crossrefType "book-chapter" @default.
- W3122375192 hasAuthorship W3122375192A5014675782 @default.
- W3122375192 hasConcept C10803110 @default.
- W3122375192 hasConcept C117740565 @default.
- W3122375192 hasConcept C121332964 @default.
- W3122375192 hasConcept C147597530 @default.
- W3122375192 hasConcept C154238967 @default.
- W3122375192 hasConcept C159467904 @default.
- W3122375192 hasConcept C171250308 @default.
- W3122375192 hasConcept C178790620 @default.
- W3122375192 hasConcept C185592680 @default.
- W3122375192 hasConcept C192562407 @default.
- W3122375192 hasConcept C2776372370 @default.
- W3122375192 hasConcept C2776653683 @default.
- W3122375192 hasConcept C59593255 @default.
- W3122375192 hasConcept C62520636 @default.
- W3122375192 hasConcept C97355855 @default.
- W3122375192 hasConceptScore W3122375192C10803110 @default.
- W3122375192 hasConceptScore W3122375192C117740565 @default.
- W3122375192 hasConceptScore W3122375192C121332964 @default.
- W3122375192 hasConceptScore W3122375192C147597530 @default.
- W3122375192 hasConceptScore W3122375192C154238967 @default.
- W3122375192 hasConceptScore W3122375192C159467904 @default.
- W3122375192 hasConceptScore W3122375192C171250308 @default.
- W3122375192 hasConceptScore W3122375192C178790620 @default.
- W3122375192 hasConceptScore W3122375192C185592680 @default.
- W3122375192 hasConceptScore W3122375192C192562407 @default.
- W3122375192 hasConceptScore W3122375192C2776372370 @default.
- W3122375192 hasConceptScore W3122375192C2776653683 @default.
- W3122375192 hasConceptScore W3122375192C59593255 @default.
- W3122375192 hasConceptScore W3122375192C62520636 @default.
- W3122375192 hasConceptScore W3122375192C97355855 @default.
- W3122375192 hasLocation W31223751921 @default.
- W3122375192 hasOpenAccess W3122375192 @default.
- W3122375192 hasPrimaryLocation W31223751921 @default.
- W3122375192 hasRelatedWork W17427429 @default.
- W3122375192 hasRelatedWork W1832456 @default.
- W3122375192 hasRelatedWork W19823134 @default.
- W3122375192 hasRelatedWork W20243309 @default.
- W3122375192 hasRelatedWork W21498711 @default.
- W3122375192 hasRelatedWork W24990604 @default.
- W3122375192 hasRelatedWork W28340442 @default.
- W3122375192 hasRelatedWork W31362939 @default.
- W3122375192 hasRelatedWork W38788837 @default.
- W3122375192 hasRelatedWork W49834098 @default.
- W3122375192 isParatext "false" @default.
- W3122375192 isRetracted "false" @default.
- W3122375192 magId "3122375192" @default.
- W3122375192 workType "book-chapter" @default.