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Nonlinear dynamic heat capacity of a bead-spring polymeric glass former
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10.1063/1.4772467
/content/aip/journal/jcp/137/24/10.1063/1.4772467
http://aip.metastore.ingenta.com/content/aip/journal/jcp/137/24/10.1063/1.4772467

Figures

Image of FIG. 1.
FIG. 1.

Plot of the average IS energy response of the MD (left) and trap (middle, right as labeled) models as a function of time (units of quarter period). The MD response is also smoothed from the raw data. The top three plots are for a frequency where the system is in equilibrium in the linear response regime, ω = 2π/20 000 ≈ 3 × 10−4 (inverse LJ time units), and the bottom plots are for frequency near the α-peak, ω = ω α = 2π/640 ≈ 1 × 10−2. The different colors indicate different temperature amplitudes: ΔT = 0.75T 0 (blue), ΔT = 0.5T 0 (red), ΔT = 0.3T 0 (green), ΔT = 0.15T 0 (black), and ΔT = 0.05T 0 (light blue, linear response).

Image of FIG. 2.
FIG. 2.

Plot of the unsmoothed IS energy response of a MD model at frequency ω = 2π/200 000 and temperature amplitude ΔT = 0.75T 0 as a function of time with the time reduced modulo the period so that all oscillations lay on top of one another (top), and a histogram of the energies in the above plot (bottom).

Image of FIG. 3.
FIG. 3.

Lissajous-Bowditch-like parametric plots of the IS energy against the temperature for the different systems as labeled. The top curves (left scale) and bottom curves (right scale) correspond to the same frequencies in Fig. 1. The colors have the same meaning as in Fig. 1.

Image of FIG. 4.
FIG. 4.

Plot of the 0th, 1st, and 2nd harmonics (labeled E, a 1 and b 1, a 2 and b 2, respectively) of the IS energy response as a function of frequency on a logarithmic scale for the three systems as labeled. The different colors indicate different temperature amplitudes: ΔT = 0.1T 0 (blue, linear response), ΔT = 0.3T 0 (red), and ΔT = 0.75T 0 (green).

Image of FIG. 5.
FIG. 5.

Plot of the nonlinear storage (left) and loss (right) moduli discussed in the text as a function of frequency on a logarithmic scale for the three systems as labeled. The different colors indicate different temperature amplitudes: ΔT = 0.75T 0 (blue), ΔT = 0.5T 0 (red), ΔT = 0.3T 0 (green), ΔT = 0.15T 0 (black), and ΔT = 0.1T 0 (brown, linear response).

Image of FIG. 6.
FIG. 6.

Plot of the power law exponents of the loss modulus for low frequencies (α, triangles, left scale), for high frequencies (β, inverted triangles, left scale), and the peak frequency (circles, right scale) as a function of relative temperature amplitude on a logarithmic scale for the MD system. α and β were computed from the slopes on a log-log scale of the loss modulus on the low-frequency and high-frequency sides of the peak, respectively.

Image of FIG. 7.
FIG. 7.

Plot of the average IS energy response of the MD (left) and TNM (middle, right as labeled) models as a function of time (units of quarter period). The MD response is also smoothed from the raw data. The top three plots are for a frequency where the system is in equilibrium in the linear response regime, ω = 2π/20 000 ≈ 3 × 10−4 (inverse LJ time units), and the bottom plots are for frequency near the α-peak, ω = ω α = 2π/640 ≈ 1 × 10−2. The different colors indicate different temperature amplitudes: ΔT = 0.75T 0 (blue), ΔT = 0.5T 0 (red), ΔT = 0.3T 0 (green), ΔT = 0.15T 0 (black), and ΔT = 0.05T 0 (light blue, linear response).

Image of FIG. 8.
FIG. 8.

Lissajous-Bowditch-like parametric plots of the IS energy against the temperature for the different systems as labeled. The top curves (left scale) and bottom curves (right scale) correspond to the same frequencies in Fig. 7. The colors have the same meaning as in Fig. 7.

Image of FIG. 9.
FIG. 9.

Plot of the 0th, 1st, and 2nd harmonics (labeled E, a 1 and b 1, a 2 and b 2, respectively) of the IS energy response as a function of frequency on a logarithmic scale for the three systems as labeled. The different colors indicate different temperature amplitudes: ΔT = 0.1T 0 (blue, linear response), ΔT = 0.3T 0 (red), and ΔT = 0.75T 0 (green).

Image of FIG. 10.
FIG. 10.

Plot of the nonlinear storage (left, linear scaling) and loss (right, logarithmic scaling) moduli discussed in the text as a function of frequency on a logarithmic scale for the three systems as labeled. The different colors indicate different temperature amplitudes: ΔT = 0.75T 0 (blue), ΔT = 0.5T 0 (red), ΔT = 0.3T 0 (green), ΔT = 0.15T 0 (black), and ΔT = 0.1T 0 (brown, linear response).

Tables

Generic image for table
Table I.

Parameters for 8 level trap model (units are standard Lennard-Jones units).a

Generic image for table
Table II.

Parameters for the TNM models (all units are standard Lennard-Jones units).a

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/content/aip/journal/jcp/137/24/10.1063/1.4772467
2012-12-27
2014-04-24
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Nonlinear dynamic heat capacity of a bead-spring polymeric glass former
http://aip.metastore.ingenta.com/content/aip/journal/jcp/137/24/10.1063/1.4772467
10.1063/1.4772467
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