Table 1: Details of the interfacial positions and activation energies. Columns are the following: interfacial structure, number of neighbours of the pushed particle, number of calculation performed on a given interfacial type, calculated average activation free energies with 95% confidence interval, median, minima, and maxima of the calculated activation free energy values, and the activation free energy values determined by the probabilistic method.

No. of neighboursNo. of calculations 𝐹 F medianF minF maxF Gaussian
(J/mol + 95% conf.)(J/mol)(J/mol)(J/mol)(J/mol)

Full9304653 ± 2464749297661094757

Interfacial positions with vacancies at the interface

1 Vacancy8594517 ± 2324542264966204600
2 Vac—orto7304177 ± 3574030250158864259
2 Vac—meta7604405 ± 226438923446713
2 Vac—para7304409 ± 312432423696412
3 Vac—side by side6604412 ± 2054484259458534090
4 Vac—side by side5604203 ± 2664162189767563957
5 Vacancies4603758 ± 2844006138756033652
6 Vacancies3603770 ± 2463726185261933295

Interfacial structures

Corner minus8904127 ± 188423520075950
Line6903488 ± 176344615745483
Front6903293 ± 186311414255339
Corner plus5902014 ± 9619187113423
Top3902021 ± 12019648473512