Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Applications of the Generalised Langevin Equation: towards a realistic
  description of the baths   The Generalised Langevin Equation (GLE) method, as developed in Ref. [Phys.
Rev. B 89, 134303 (2014)], is used to calculate the dissipative dynamics of
systems described at the atomic level. The GLE scheme goes beyond the commonly
used bilinear coupling between the central system and the bath, and permits us
to have a realistic description of both the dissipative central system and its
surrounding bath. We show how to obtain the vibrational properties of a
realistic bath and how to convey such properties into an extended Langevin
dynamics by the use of the mapping of the bath vibrational properties onto a
set of auxiliary variables. Our calculations for a model of a Lennard-Jones
solid show that our GLE scheme provides a stable dynamics, with the
dissipative/relaxation processes properly described. The total kinetic energy
of the central system always thermalises toward the expected bath temperature,
with appropriate fluctuation around the mean value. More importantly, we obtain
a velocity distribution for the individual atoms in the central system which
follows the expected canonical distribution at the corresponding temperature.
This confirms that both our GLE scheme and our mapping procedure onto an
extended Langevin dynamics provide the correct thermostat. We also examined the
velocity autocorrelation functions and compare our results with more
conventional Langevin dynamics.

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The categories of this paper are: q-alg
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The categories of this paper are: cmp-lg
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The categories of this paper are: alg-geom
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The categories of this paper are: chem-ph
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The categories of this paper are: patt-sol
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The categories of this paper are: nlin
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The categories of this paper are: nucl-th
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The categories of this paper are: bayes-an
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The categories of this paper are: comp-gas
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The categories of this paper are: mtrl-th
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The categories of this paper are: physics
0
The categories of this paper are: hep-ph
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The categories of this paper are: hep-th
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The categories of this paper are: supr-con
6
The categories of this paper are: astro-ph
1
The categories of this paper are: cs