← Search

Table · dataset · 2022

Data for Kinetic control of competing nuclei in a dimer lattice-gas model

Listed in figshare

Nucleation is a key step in the synthesis of new material from solution.

Description

Well-established lattice-gas models can be used to gain insight into the basic physics of nucleation pathways involving a single nucleus type. In many situations a solution is supersaturated with respect to more than one precipitating phase.

This can generate a population both stable and metastable nuclei on similar timescales and hence complex nucleation pathways involving competition between the two. In this study we introduce a lattice-gas model based on two types of interacting dimer representing particles in solution. Each type of dimer nucleates to a specific space-filling structure.

Read the rest (2 more)

Our model is tuned such that stable and metastable phases nucleate on a similar timescale. Either structure may nucleate first, with probability sensitive to dimer mobility. We calculate these nucleation rates via Forward-Flux Sampling and demonstrate how the resulting data can be used to infer the nucleation outcome and pathway.

Possibilities include direct nucleation of the stable phase, domination of long-lived metastable crystallites, and pathways in which the stable phase nucleates only after multiple post-critical nuclei of the metastable phase have appeared.<br><br>Data files and corresponding gnuplot script files (*.gnu) for each figure is available in the respective folders fig3-7. All plots were produced using GNUPLOT 5.2 patch level 2.

Links

Where it is published

Catalogue records · 1

Topics

Inferred from text
Physical chemistry 73%
Provenance · 1 source records, 17 field assertions
SourceKeyLast seenRaw
figshareoai:figshare.com:article/3384788812 d agoJSON v1
FieldAssertionExtractorEvidence
access_levelsource · figshare comconnector:figshare_com@1.0.0
concepts[field].anzsrc:group:3406enrichment · figshare comtaxonomy-embedding@1.0.0title+keywords+description (73%)
concepts[field].local:field:astronomymapping · figshare comconnector:figshare_com@1.0.0
concepts[field].local:field:chemistrymapping · figshare comconnector:figshare_com@1.0.0
concepts[field].local:field:computer-science-aimapping · figshare comconnector:figshare_com@1.0.0
concepts[field].local:field:earth-environmentalmapping · figshare comconnector:figshare_com@1.0.0
concepts[field].local:field:economics-financemapping · figshare comconnector:figshare_com@1.0.0
concepts[field].local:field:engineeringmapping · figshare comconnector:figshare_com@1.0.0
concepts[field].local:field:humanitiesmapping · figshare comconnector:figshare_com@1.0.0
concepts[field].local:field:life-sciencesmapping · figshare comconnector:figshare_com@1.0.0
concepts[field].local:field:medicine-healthmapping · figshare comconnector:figshare_com@1.0.0
concepts[field].local:field:ocean-atmosphericmapping · figshare comconnector:figshare_com@1.0.0
concepts[field].local:field:social-sciencemapping · figshare comconnector:figshare_com@1.0.0
descriptionsource · figshare comconnector:figshare_com@1.0.0/metadata/dc/description
licensesource · figshare comconnector:figshare_com@1.0.0/metadata/dc/rights
publication_datesource · figshare comconnector:figshare_com@1.0.0
titlesource · figshare comconnector:figshare_com@1.0.0/metadata/dc/title