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projects: Update figures in dynamics project
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This updates the dynamics project with the figures using the same these
as for the crystal melting project.
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malramsay64 committed Aug 21, 2019
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18 changes: 9 additions & 9 deletions 03_Dynamics/results.md
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Expand Up @@ -86,7 +86,7 @@ temperature $T=1.50$. The radial distribution is taken as an average over 100 co
the input trajectory. There shape of the molecule means there are three distinct first
shell peaks, which are also visible in the second shell. In further shells the only
impact on shape is the longer than usual tails of the peaks.
](../Projects/Dynamics/figures/thesis/radial_distribution.pdf){width=80% #fig:radial_distribution}
](../Projects/Dynamics/figures/radial_distribution.pdf){width=80% #fig:radial_distribution}

From the radial distribution function $G(r)$,
we can obtain the static structure factor $S(k)$
Expand All @@ -110,7 +110,7 @@ which are given below.
![The static structure factor of the Trimer liquid at a pressure $P=13.50$ and a
temperature $T=1.50$. This is calculated from an average over 100 configurations.
within the trajectory. The first peak corresponds to a value of 2.90.
](../Projects/Dynamics/figures/thesis/static_structure_factor.pdf){width=80% #fig:static_structure_factor}
](../Projects/Dynamics/figures/static_structure_factor.pdf){width=80% #fig:static_structure_factor}

Pressure $k$
-------- -----
Expand All @@ -137,7 +137,7 @@ k \left[\cos\left(a\frac{2\pi}{M}\right), \sin \left(a\frac{2\pi}{M} \right) \ri
over a range of temperatures
at a pressure of 13.50.
Note the logarithmic scale on the time axis.
](../Projects/Dynamics/figures/thesis/scattering_function.pdf){width=81% #fig:intermediate_scattering_function}
](../Projects/Dynamics/figures/scattering_function.pdf){width=81% #fig:intermediate_scattering_function}
At low temperatures ($T=1.25$ to $T=1.4$)
the relaxation of the intermediate scattering function
Expand All @@ -157,7 +157,7 @@ over a range of temperatures and pressures.
To put multiple pressures on a single scale,
all the temperatures have been scaled
relative to the melting point.
](../Projects/Dynamics/figures/thesis/isf_relaxation.pdf){width=80% #fig:isf_relaxation}
](../Projects/Dynamics/figures/isf_relaxation.pdf){width=80% #fig:isf_relaxation}
Taking the characteristic timescale of the
relaxation of the intermediate scattering function,
Expand Down Expand Up @@ -192,7 +192,7 @@ can be identified at each timestep.
over a range of temperatures
at a pressure of 13.50.
Note the logarithmic scale on the time axis.
](../Projects/Dynamics/figures/thesis/structural_relaxation.pdf){width=80% #fig:structural_relaxation}
](../Projects/Dynamics/figures/structural_relaxation.pdf){width=80% #fig:structural_relaxation}
The shape of @fig:structural_relaxation has
many of the same features as @fig:isf_relaxation,
Expand Down Expand Up @@ -220,7 +220,7 @@ gives the image below.
over a range of temperatures
at a pressure of 13.50.
Note the logarithmic scale of both axes.
](../Projects/Dynamics/figures/thesis/mean_squared_displacement.pdf){width=80% #fig:msd}
](../Projects/Dynamics/figures/mean_squared_displacement.pdf){width=80% #fig:msd}

At high temperatures the MSD moves from the ballistic regime,
where the particles haven't collided
Expand All @@ -236,7 +236,7 @@ and more notably regions of dynamic heterogeneities.

![The diffusion constant as a function of temperature
normalised by the melting point for a range of pressures.
](../Projects/Dynamics/figures/thesis/diffusion_constant.pdf){width=80% #fig:diffusion_constant}
](../Projects/Dynamics/figures/diffusion_constant.pdf){width=80% #fig:diffusion_constant}

## Rotational Relaxations

Expand All @@ -263,7 +263,7 @@ the relaxation time is the rate of the decay.
![The rotational relaxation of the trimer molecule
over a range of temperatures at a pressure of 13.50.
Note the logarithmic scale of the time axis.
](../Projects/Dynamics/figures/thesis/rotational_relaxation.pdf){width=80% #fig:rotational_relaxation}
](../Projects/Dynamics/figures/rotational_relaxation.pdf){width=80% #fig:rotational_relaxation}

## Dynamic heterogeneities

Expand All @@ -288,7 +288,7 @@ deviates from the expected gaussian distribution [@Donati1999].
![The non-gaussian of the trimer molecule
over a range of temperatures at a pressure of 13.50.
Note that time axis is plotted using a logarithmic
scale.](../Projects/Dynamics/figures/thesis/non_gaussian.pdf){width=80% #fig:non-gaussian}
scale.](../Projects/Dynamics/figures/non_gaussian.pdf){width=80% #fig:non-gaussian}

As the temperature decreases from 2.5 to 1.30,
the maximum value of non-gaussian parameter increases,
Expand Down
2 changes: 1 addition & 1 deletion Projects/Crystal_Melting
2 changes: 1 addition & 1 deletion Projects/Dynamics
Submodule Dynamics updated 52 files
+9 −5 Makefile
+1 −1 environment.yml
+1 −0 figures/diffusion_constant.svg
+ figures/figure10.pdf
+ figures/figure11.pdf
+ figures/figure2a.pdf
+ figures/figure2b.pdf
+ figures/figure3.pdf
+ figures/figure4a.pdf
+ figures/figure4b.pdf
+ figures/figure5a.pdf
+ figures/figure5b.pdf
+ figures/figure5c.pdf
+ figures/figure6a.pdf
+ figures/figure6b.pdf
+ figures/figure6c.pdf
+ figures/figure7.pdf
+ figures/figure8a.pdf
+ figures/figure8b.pdf
+ figures/figure9.pdf
+1 −0 figures/isf_relaxation.svg
+1 −0 figures/mean_squared_displacement.svg
+1 −0 figures/non_gaussian.svg
+ figures/radial_distribution.pdf
+1 −0 figures/rotational_relaxation.svg
+1 −0 figures/rotational_relaxation_function.svg
+1 −0 figures/scattering_function.svg
+ figures/static_structure_factor.pdf
+1 −0 figures/structural_relaxation.svg
+0 −1 figures/thesis/diffusion_constant.svg
+0 −1 figures/thesis/intermediate_scattering_function.svg
+0 −1 figures/thesis/isf_relaxation.svg
+0 −1 figures/thesis/mean_squared_displacement.svg
+0 −1 figures/thesis/non_gaussian.svg
+0 −1 figures/thesis/rotational_relaxation.svg
+0 −1 figures/thesis/rotational_relaxtion.svg
+0 −1 figures/thesis/scattering_function.svg
+ figures/thesis/static_structure_factor.pdf
+0 −1 figures/thesis/structural_relaxation.svg
+5 −6 notebooks/00_thermodynamics_interactive.md
+2 −6 notebooks/01_dynamics_interactive.md
+5 −5 notebooks/02_relaxations_interactive.md
+10 −7 notebooks/03_brownian_motion.md
+1 −0 notebooks/05_simple_simulation_interactive.md
+6 −5 notebooks/06_computing_structural_relaxation.md
+3 −10 notebooks/12_relaxations.md
+1 −0 notebooks/13_molecular_relaxations.md
+1 −0 notebooks/14_relaxation_correlations.md
+18 −9 notebooks/15_stokes-einstein_breakdown.md
+1 −4 notebooks/18_confidence_intervals.md
+48 −31 notebooks/21_phd_dynamics.md
+20 −0 src/figures.py

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