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Constrained dynamics of localized excitations causes a non-equilibrium phase transition in an atomistic model of glass formers
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| Zeitschriftentitel: | The Journal of Chemical Physics |
|---|---|
| Personen und Körperschaften: | , |
| In: | The Journal of Chemical Physics, 136, 2012, 18 |
| Format: | E-Article |
| Sprache: | Englisch |
| veröffentlicht: |
AIP Publishing
|
| Schlagwörter: |
| author_facet |
Speck, Thomas Chandler, David Speck, Thomas Chandler, David |
|---|---|
| author |
Speck, Thomas Chandler, David |
| spellingShingle |
Speck, Thomas Chandler, David The Journal of Chemical Physics Constrained dynamics of localized excitations causes a non-equilibrium phase transition in an atomistic model of glass formers Physical and Theoretical Chemistry General Physics and Astronomy |
| author_sort |
speck, thomas |
| spelling |
Speck, Thomas Chandler, David 0021-9606 1089-7690 AIP Publishing Physical and Theoretical Chemistry General Physics and Astronomy http://dx.doi.org/10.1063/1.4712026 <jats:p>Recent progress has demonstrated that trajectory space for both kinetically constrained lattice models and atomistic models can be partitioned into a liquid-like and an inactive basin with a non-equilibrium phase transition separating these behaviors. Recent work has also established that excitations in atomistic models have statistics and dynamics like those in a specific class of kinetically constrained models. But it has not been known whether the non-equilibrium phase transitions occurring in the two classes of models have similar origins. Here, we show that the origin is indeed similar. In particular, we show that the number of excitations identified in an atomistic model serves as the order parameter for the inactive–active phase transition for that model. In this way, we show that the mechanism by which excitations are correlated in an atomistic model – by dynamical facilitation – is the mechanism from which the active–inactive phase transition emerges. We study properties of the inactive phase and show that it is amorphous lacking long-range order. We also discuss the choice of dynamical order parameters.</jats:p> Constrained dynamics of localized excitations causes a non-equilibrium phase transition in an atomistic model of glass formers The Journal of Chemical Physics |
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| title |
Constrained dynamics of localized excitations causes a non-equilibrium phase transition in an atomistic model of glass formers |
| title_unstemmed |
Constrained dynamics of localized excitations causes a non-equilibrium phase transition in an atomistic model of glass formers |
| title_full |
Constrained dynamics of localized excitations causes a non-equilibrium phase transition in an atomistic model of glass formers |
| title_fullStr |
Constrained dynamics of localized excitations causes a non-equilibrium phase transition in an atomistic model of glass formers |
| title_full_unstemmed |
Constrained dynamics of localized excitations causes a non-equilibrium phase transition in an atomistic model of glass formers |
| title_short |
Constrained dynamics of localized excitations causes a non-equilibrium phase transition in an atomistic model of glass formers |
| title_sort |
constrained dynamics of localized excitations causes a non-equilibrium phase transition in an atomistic model of glass formers |
| topic |
Physical and Theoretical Chemistry General Physics and Astronomy |
| url |
http://dx.doi.org/10.1063/1.4712026 |
| publishDate |
2012 |
| physical |
|
| description |
<jats:p>Recent progress has demonstrated that trajectory space for both kinetically constrained lattice models and atomistic models can be partitioned into a liquid-like and an inactive basin with a non-equilibrium phase transition separating these behaviors. Recent work has also established that excitations in atomistic models have statistics and dynamics like those in a specific class of kinetically constrained models. But it has not been known whether the non-equilibrium phase transitions occurring in the two classes of models have similar origins. Here, we show that the origin is indeed similar. In particular, we show that the number of excitations identified in an atomistic model serves as the order parameter for the inactive–active phase transition for that model. In this way, we show that the mechanism by which excitations are correlated in an atomistic model – by dynamical facilitation – is the mechanism from which the active–inactive phase transition emerges. We study properties of the inactive phase and show that it is amorphous lacking long-range order. We also discuss the choice of dynamical order parameters.</jats:p> |
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| description | <jats:p>Recent progress has demonstrated that trajectory space for both kinetically constrained lattice models and atomistic models can be partitioned into a liquid-like and an inactive basin with a non-equilibrium phase transition separating these behaviors. Recent work has also established that excitations in atomistic models have statistics and dynamics like those in a specific class of kinetically constrained models. But it has not been known whether the non-equilibrium phase transitions occurring in the two classes of models have similar origins. Here, we show that the origin is indeed similar. In particular, we show that the number of excitations identified in an atomistic model serves as the order parameter for the inactive–active phase transition for that model. In this way, we show that the mechanism by which excitations are correlated in an atomistic model – by dynamical facilitation – is the mechanism from which the active–inactive phase transition emerges. We study properties of the inactive phase and show that it is amorphous lacking long-range order. We also discuss the choice of dynamical order parameters.</jats:p> |
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| spelling | Speck, Thomas Chandler, David 0021-9606 1089-7690 AIP Publishing Physical and Theoretical Chemistry General Physics and Astronomy http://dx.doi.org/10.1063/1.4712026 <jats:p>Recent progress has demonstrated that trajectory space for both kinetically constrained lattice models and atomistic models can be partitioned into a liquid-like and an inactive basin with a non-equilibrium phase transition separating these behaviors. Recent work has also established that excitations in atomistic models have statistics and dynamics like those in a specific class of kinetically constrained models. But it has not been known whether the non-equilibrium phase transitions occurring in the two classes of models have similar origins. Here, we show that the origin is indeed similar. In particular, we show that the number of excitations identified in an atomistic model serves as the order parameter for the inactive–active phase transition for that model. In this way, we show that the mechanism by which excitations are correlated in an atomistic model – by dynamical facilitation – is the mechanism from which the active–inactive phase transition emerges. We study properties of the inactive phase and show that it is amorphous lacking long-range order. We also discuss the choice of dynamical order parameters.</jats:p> Constrained dynamics of localized excitations causes a non-equilibrium phase transition in an atomistic model of glass formers The Journal of Chemical Physics |
| spellingShingle | Speck, Thomas, Chandler, David, The Journal of Chemical Physics, Constrained dynamics of localized excitations causes a non-equilibrium phase transition in an atomistic model of glass formers, Physical and Theoretical Chemistry, General Physics and Astronomy |
| title | Constrained dynamics of localized excitations causes a non-equilibrium phase transition in an atomistic model of glass formers |
| title_full | Constrained dynamics of localized excitations causes a non-equilibrium phase transition in an atomistic model of glass formers |
| title_fullStr | Constrained dynamics of localized excitations causes a non-equilibrium phase transition in an atomistic model of glass formers |
| title_full_unstemmed | Constrained dynamics of localized excitations causes a non-equilibrium phase transition in an atomistic model of glass formers |
| title_short | Constrained dynamics of localized excitations causes a non-equilibrium phase transition in an atomistic model of glass formers |
| title_sort | constrained dynamics of localized excitations causes a non-equilibrium phase transition in an atomistic model of glass formers |
| title_unstemmed | Constrained dynamics of localized excitations causes a non-equilibrium phase transition in an atomistic model of glass formers |
| topic | Physical and Theoretical Chemistry, General Physics and Astronomy |
| url | http://dx.doi.org/10.1063/1.4712026 |