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Vibrational energy transport in the presence of intrasite vibrational energy redistribution
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10.1063/1.3185152
/content/aip/journal/jcp/131/4/10.1063/1.3185152
http://aip.metastore.ingenta.com/content/aip/journal/jcp/131/4/10.1063/1.3185152
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Scheme of the 1D chain with sites and modes per site. The intersite couplings are indicated. Note that the Hamiltonian Eq. (1) is, in fact, one-dimensional (i.e., one normal mode per mass point), different to what the figure might suggest.

Image of FIG. 2.
FIG. 2.

Normal mode distribution for a typical realization of the Hamiltonian. The thickness of the lines represents the amplitudes of the various normal modes at individual sites. The arrows symbolize intrasite IVR and chain transport processes, see discussion. Two of the low-frequency modes are so close that they are not resolved in this representation.

Image of FIG. 3.
FIG. 3.

Quantum results for low anharmonicity . Energies of sites 1–5 (in black, red, green, blue, and magenta) after a temperature jump at site 1 of (panel a) and (panel b). The inset shows the same on an expanded time axis.

Image of FIG. 4.
FIG. 4.

Quantum results for high anharmonicity . Energies of sites 1–5 (in black, red, green, blue, and magenta) after a temperature jump at site 1 of (panel a) and (panel b). The inset shows the same on an expanded time axis.

Image of FIG. 5.
FIG. 5.

Quantum results: Comparison of the cooling of the initially heated site 1 after a small (blue) and large (red) temperature jump.

Image of FIG. 6.
FIG. 6.

Quantum results: (a) For comparison, the same data as in Fig. 4(b) for sites 2–5 (in red, green, blue, and magenta) are plotted on an enlarged scale. (b) Corresponding results after switching off the anharmonic couplings of sites 2–5.

Image of FIG. 7.
FIG. 7.

Classical results for low anharmonicity . Energies of sites 1–5 (in black, red, green, blue, and magenta) after a temperature jump at site 1 of (panel a) and (panel b). The inset shows the same on an expanded time axis.

Image of FIG. 8.
FIG. 8.

Classical results for high anharmonicity . Energies of sites 1–5 (in black, red, green, blue, and magenta) after a temperature jump at site 1 of (panel a) and (panel b). The inset shows the same on an expanded time axis.

Image of FIG. 9.
FIG. 9.

Classical results: Comparison of the cooling of the initially heated site 1 after a small (blue) and large (red) temperature jump.

Image of FIG. 10.
FIG. 10.

Classical results with quantum initial condition: Comparison of the cooling of the initially heated site 1 after a small (blue) and large (red) temperature jump.

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/content/aip/journal/jcp/131/4/10.1063/1.3185152
2009-07-27
2014-04-17
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Vibrational energy transport in the presence of intrasite vibrational energy redistribution
http://aip.metastore.ingenta.com/content/aip/journal/jcp/131/4/10.1063/1.3185152
10.1063/1.3185152
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