Matches in SemOpenAlex for { <https://semopenalex.org/work/W1775497624> ?p ?o ?g. }
Showing items 1 to 95 of
95
with 100 items per page.
- W1775497624 abstract "Equilibrium relationships involving solids are based on bulk thermodynamic properties that concern ideal crystals of infinite size. However, real processes towards equilibrium imply development of finite molecular-scale entities. The configuration of these early-stage clusters and the estimation of their excess energies with respect to the ideal crystal are keys to understanding the macroscopic behaviour of a given system. As nucleation events are difficult to study experimentally, both because they occur spontaneously and because the nucleus size is very small, atomistic simulations are a suitable tool for understanding the early stages of crystallisation. Here, starting from the ideal atomic positions in calcite and aragonite, the relaxation in vacuum of finite clusters of CaCO$_3$ is explored. Nucleation and growth of calcium carbonate phases constitute a very important subject of research in a wide variety of fields. A complete study of CaCO$_3$ should include many different aspects: size and shape of the critical nuclei under diverse conditions, possibility of nucleation from precursor phases, nucleus energy and nucleus surface energy, relationship nucleus-substrate in heterogeneous nucleation...We present a preliminary study of nucleation of calcium carbonate where nuclei are considered to be isolated from any previous phase or substrate. Even when this situation does in no way represent realistic conditions, it can be a helpful first approach to more complex studies." @default.
- W1775497624 created "2016-06-24" @default.
- W1775497624 creator A5039680797 @default.
- W1775497624 creator A5087586134 @default.
- W1775497624 creator A5091163454 @default.
- W1775497624 creator A5022824411 @default.
- W1775497624 date "2011-05-26" @default.
- W1775497624 modified "2023-09-27" @default.
- W1775497624 title "A Molecular Study of CaCO$_3$ cluster configurations" @default.
- W1775497624 hasPublicationYear "2011" @default.
- W1775497624 type Work @default.
- W1775497624 sameAs 1775497624 @default.
- W1775497624 citedByCount "0" @default.
- W1775497624 crossrefType "posted-content" @default.
- W1775497624 hasAuthorship W1775497624A5022824411 @default.
- W1775497624 hasAuthorship W1775497624A5039680797 @default.
- W1775497624 hasAuthorship W1775497624A5087586134 @default.
- W1775497624 hasAuthorship W1775497624A5091163454 @default.
- W1775497624 hasConcept C121332964 @default.
- W1775497624 hasConcept C147597530 @default.
- W1775497624 hasConcept C15744967 @default.
- W1775497624 hasConcept C159467904 @default.
- W1775497624 hasConcept C159985019 @default.
- W1775497624 hasConcept C164866538 @default.
- W1775497624 hasConcept C178790620 @default.
- W1775497624 hasConcept C185592680 @default.
- W1775497624 hasConcept C192562407 @default.
- W1775497624 hasConcept C199360897 @default.
- W1775497624 hasConcept C203036418 @default.
- W1775497624 hasConcept C2776029896 @default.
- W1775497624 hasConcept C2778039128 @default.
- W1775497624 hasConcept C2779866092 @default.
- W1775497624 hasConcept C2780723820 @default.
- W1775497624 hasConcept C2781285689 @default.
- W1775497624 hasConcept C41008148 @default.
- W1775497624 hasConcept C44280652 @default.
- W1775497624 hasConcept C59593255 @default.
- W1775497624 hasConcept C61048295 @default.
- W1775497624 hasConcept C77805123 @default.
- W1775497624 hasConcept C8010536 @default.
- W1775497624 hasConcept C86803240 @default.
- W1775497624 hasConcept C95444343 @default.
- W1775497624 hasConcept C97355855 @default.
- W1775497624 hasConceptScore W1775497624C121332964 @default.
- W1775497624 hasConceptScore W1775497624C147597530 @default.
- W1775497624 hasConceptScore W1775497624C15744967 @default.
- W1775497624 hasConceptScore W1775497624C159467904 @default.
- W1775497624 hasConceptScore W1775497624C159985019 @default.
- W1775497624 hasConceptScore W1775497624C164866538 @default.
- W1775497624 hasConceptScore W1775497624C178790620 @default.
- W1775497624 hasConceptScore W1775497624C185592680 @default.
- W1775497624 hasConceptScore W1775497624C192562407 @default.
- W1775497624 hasConceptScore W1775497624C199360897 @default.
- W1775497624 hasConceptScore W1775497624C203036418 @default.
- W1775497624 hasConceptScore W1775497624C2776029896 @default.
- W1775497624 hasConceptScore W1775497624C2778039128 @default.
- W1775497624 hasConceptScore W1775497624C2779866092 @default.
- W1775497624 hasConceptScore W1775497624C2780723820 @default.
- W1775497624 hasConceptScore W1775497624C2781285689 @default.
- W1775497624 hasConceptScore W1775497624C41008148 @default.
- W1775497624 hasConceptScore W1775497624C44280652 @default.
- W1775497624 hasConceptScore W1775497624C59593255 @default.
- W1775497624 hasConceptScore W1775497624C61048295 @default.
- W1775497624 hasConceptScore W1775497624C77805123 @default.
- W1775497624 hasConceptScore W1775497624C8010536 @default.
- W1775497624 hasConceptScore W1775497624C86803240 @default.
- W1775497624 hasConceptScore W1775497624C95444343 @default.
- W1775497624 hasConceptScore W1775497624C97355855 @default.
- W1775497624 hasLocation W17754976241 @default.
- W1775497624 hasOpenAccess W1775497624 @default.
- W1775497624 hasPrimaryLocation W17754976241 @default.
- W1775497624 hasRelatedWork W116150222 @default.
- W1775497624 hasRelatedWork W1997001544 @default.
- W1775497624 hasRelatedWork W1998898312 @default.
- W1775497624 hasRelatedWork W2034192459 @default.
- W1775497624 hasRelatedWork W2079844387 @default.
- W1775497624 hasRelatedWork W2150479014 @default.
- W1775497624 hasRelatedWork W2196536792 @default.
- W1775497624 hasRelatedWork W2242685436 @default.
- W1775497624 hasRelatedWork W2322387516 @default.
- W1775497624 hasRelatedWork W2526029269 @default.
- W1775497624 hasRelatedWork W2528886579 @default.
- W1775497624 hasRelatedWork W2556073732 @default.
- W1775497624 hasRelatedWork W2763273892 @default.
- W1775497624 hasRelatedWork W2794897725 @default.
- W1775497624 hasRelatedWork W2885561267 @default.
- W1775497624 hasRelatedWork W3026205703 @default.
- W1775497624 hasRelatedWork W3103899558 @default.
- W1775497624 hasRelatedWork W3128801078 @default.
- W1775497624 hasRelatedWork W3160455737 @default.
- W1775497624 hasRelatedWork W41690819 @default.
- W1775497624 isParatext "false" @default.
- W1775497624 isRetracted "false" @default.
- W1775497624 magId "1775497624" @default.
- W1775497624 workType "article" @default.