Hinweis zum Urheberrecht
Aufsatz zugänglich unter
URN: urn:nbn:de:bvb:29-opus-38370
URL: http://www.opus.ub.uni-erlangen.de/opus/volltexte/2012/3837/
Affinity and its derivatives in the glass transition process
Garden, J.-L. ;
Guillou, H. ;
Richard, J. ;
Wondraczek, Lothar
| Originalveröffentlichung: |
| (2012) Journal of Chemical Physics 137.2 (2012): 07.11.2012 <http://jcp.aip.org/resource/1/jcpsa6/v137/i2/p024505_s1> |
| pdf-Format:
|
|
|
| SWD-Schlagwörter: |
| - |
| Freie Schlagwörter (Englisch): |
| free energy , glass structure , glass transition , lattice theory , liquid theory |
| PACS - Klassifikation: |
| 64.70.P- , 65.60.+a , 61.43.Fs , 05.70.Ln , 64.70.qd |
| Collection: |
| Universität Erlangen-Nürnberg / Allianzlizenzen / 2012 |
| Fakultät: |
| Naturwissenschaftliche Fakultät |
| DDC-Sachgruppe: |
| Naturwissenschaften |
| Dokumentart: |
| Aufsatz |
| Sprache: |
| Englisch |
| Erstellungsjahr: |
| 2012 |
| Publikationsdatum: |
| 08.11.2012 |
| Kurzfassung in Englisch: |
| The thermodynamic treatment of the glass transition remains an issue of intense debate. When associated with the formalism of non-equilibrium thermodynamics, the lattice-hole theory of liquids can provide new insight in this direction, as has been shown by Schmelzer and Gutzow [J. Chem. Phys. 125, 184511 (2006)]10.1063/1.2374894, by Möller et al. [J. Chem. Phys. 125, 094505 (2006)]10.1063/1.2346673, and more recently by Tropin et al. [J. Non-Cryst. Solids 357, 1291 (2011)10.1016/j.jnoncrysol.2010.11.111; Tropin et al., J. Non-Cryst. Solids 357, 1303 (2011)]10.1016/j.jnoncrysol.2010.12.005. Here, we employ a similar approach. We include pressure as an additional variable, in order to account for the freezing-in of structural degrees of freedom upon pressure increase. Second, we demonstrate that important terms concerning first order derivatives of the affinity-driving-force with respect to temperature and pressure have been previously neglected. We show that these are of crucial importance in the approach. Macroscopic non-equilibrium thermodynamics is used to enlighten these contributions in the derivation of Cp,κT, and αp. The coefficients are calculated as a function of pressure and temperature following different theoretical protocols, revealing classical aspects of vitrification and structural recovery processes. Finally, we demonstrate that a simple minimalist model such as the lattice-hole theory of liquids, when being associated with rigorous use of macroscopic non-equilibrium thermodynamics, is able to account for the primary features of the glass transition phenomenology. Notwithstanding its simplicity and its limits, this approach can be used as a very pedagogical tool to provide a physical understanding on the underlying thermodynamics which governs the glass transition process. |
Sie benötigen weitere Informationen?
Fragen Sie uns!