Title :

The role of the diffusion in the predictions of the classical nucleation theory for quasi-real systems differ in dipole moment value

Author(s) :

Koperwas, Kajetan [Auteur]
University of Silesia in Katowice
Kaśkosz, Filip [Auteur]
University of Silesia in Katowice
Grzybowski, Andrzej [Auteur]
University of Silesia in Katowice
Paluch, Marian [Auteur]
University of Silesia in Katowice
Affouard, Frédéric [Auteur]
Unité Matériaux et Transformations (UMET) - UMR 8207

Journal title :

Scientific Reports

Abbreviated title :

Sci Rep

Volume number :

12

Publisher :

Springer Science and Business Media LLC

Publication date :

2022-06-10

ISSN :

2045-2322

HAL domain(s) :

Physique [physics]/Matière Condensée [cond-mat]/Science des matériaux [cond-mat.mtrl-sci]
Physique [physics]/Matière Condensée [cond-mat]/Matière Molle [cond-mat.soft]
Physique [physics]/Matière Condensée [cond-mat]/Systèmes désordonnés et réseaux de neurones [cond-mat.dis-nn]

English abstract : [en]

In this paper, we examine the crystallization tendency for two quasi-real systems, which differ exclusively in the dipole moment's value. The main advantage of the studied system is the fact that despite that their structures ...
Show more >In this paper, we examine the crystallization tendency for two quasi-real systems, which differ exclusively in the dipole moment's value. The main advantage of the studied system is the fact that despite that their structures are entirely identical, they exhibit different physical properties. Hence, the results obtained for one of the proposed model systems cannot be scaled to reproduce the results for another corresponding system, as it can be done for simple model systems, where structural differences are modeled by the different parameters of the intermolecular interactions. Our results show that both examined systems exhibit similar stability behavior below the melting temperature. This finding is contrary to the predictions of the classical nucleation theory, which suggests a significantly higher crystallization tendency for a more polar system. Our studies indicate that the noted discrepancies are caused by the kinetic aspect of the classical nucleation theory, which overestimates the role of diffusion in the nucleation process.Show less >

Language :

Anglais

Audience :

Internationale

Popular science :

Non

Administrative institution(s) :

Université de Lille
CNRS
INRAE
ENSCL

Collections :

• Unité Matériaux et Transformations (UMET) - UMR 8207

Research team(s) :

Matériaux Moléculaires et Thérapeutiques

Submission date :

2022-07-05T17:43:23Z
2022-07-06T08:53:21Z
2022-07-18T18:04:19Z
2022-07-21T08:19:33Z