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fix(clarify): Link structure to jump dynamics
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This links the structure to jump dynamics and includes the definition of
diffusion as related to jumps between local configurations.

Fixes #256
Ref #255
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malramsay64 committed Aug 14, 2020
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:::

## Dynamic Heterogeneities and structure
## Dynamics in Potential Energy Landscapes

The presence of dynamic heterogeneities
is a significant feature as a liquid approaches
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where the motions change from many small random motions at high temperatures
to a large motions from one site to another at low temperatures,
often involve correlated motions of particles.
This structural description provides another method to describe jump dynamics
as the motions between local potential energy minima. [@Doliwa2003a;@Doliwa2003]
The structural description of jump dynamics
makes no distinction between
the rotational jumps described in @sec:intro_jump_dynamics
and translational jumps.

![A representation of the potential energy landscape for a liquid.
The entire configuration moves between the low energy states
through the transition structures. \
*Figure from @Stillinger1995 used with permission © 1995 AAAS*
*Figure from @Stillinger1995 used with permission © 1995 BAAS*
](../00_Introduction/figures/potential_energy_surface.png){#fig:potential_energy_landscape width=80%}

An important part of the potential energy landscape model
When considering the transport properties of particles undergoing jump dynamics
we can consider an alternate formulation of the diffusion constant $D$ [@Doliwa2003]
constructed from the effective jump length $a(T)$
and the mean waiting time $\langle \tau(T) \rangle$

$$ D_\text{jump}(T) = \frac{a(T)^2}{6N\langle \tau(T) \rangle} $$ {#eq:jump_diffusion}

In defining diffusion in this way we are assuming
all particles undergo motions through jump dynamics.
However, the dynamic heterogeneities synonymous with a potential energy landscape
describe a wide range of behaviours.
@Dueby2019 defines a diffusion constant that combines
the both aspects of diffusion,
the Brownian component and the Jump component,
arguing both are required to fully describe diffusion.

A key component part of the potential energy landscape model
is that the structure plays a role in the dynamics,
defining the types of transitions which take place.
In a simulation study initialising the same structural configuration
with a range of randomised momenta,
@Widmer-Cooper2004 found the dynamic heterogeneities
present in all regions of the structure,
regardless of initial momenta.
defining the types of transitions taking place.
Whether the high energy allows for moving smoothly through the configuration space,
or a low energy requires large rearrangements to jump between
minima in the configuration space.
This importance of the potential energy landscape
in the dynamics is highlighted in work by @Widmer-Cooper2004,
where a simulation study initialising
the same structural configuration with a randomised momenta,
found the same dynamic heterogeneities regardless of initial momenta.

## Goals for understanding dynamics

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