Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Annealing glasses by cyclic shear deformation   A major challenge in simulating glassy systems is the ability to generate
configurations that may be found in equilibrium at sufficiently low
temperatures, in order to probe static and dynamic behaviour close to the glass
transition. This problem is one that is widely encountered in many condensed
matter, chemical and biomolecular systems that exhibit a hierarchy of barriers
to relaxation. A variety of approaches have recently explored ways of
surmounting this obstacle. Here we explore the possibility of employing
mechanical agitation, in the form of cyclic shear deformation, to generate low
energy configurations in a model glass former. We show, by performing cyclic
shear deformation simulations over a range of temperatures, shear rates and
strain amplitudes, that such an approach is capable of speeding up simulations
by several orders of magnitude. Although low energy configurations inaccessible
to normal simulations are generated, and under suitable conditions we find the
generated configurations to be indistinguishable from an equilibrium ensemble,
the cyclic shear procedure does not guarantee that we generate an equilibrium
ensemble at a desired temperature. In order to do so, we develop a hybrid Monte
Carlo algorithm that employs cyclic shear as a trial generation step, and has
acceptance probabilities that depend not only on the change in internal energy
but also on heat dissipated (equivalently, work done). We show that such an
algorithm is indeed feasible, and generates an equilibrium ensemble. We discuss
possible extensions and applications to other systems with similar
characteristics.

33
The categories of this paper are: plasm-ph
35
The categories of this paper are: mtrl-th
22
The categories of this paper are: chao-dyn
19
The categories of this paper are: eess
3
The categories of this paper are: physics
9
The categories of this paper are: nlin
28
The categories of this paper are: alg-geom
2
The categories of this paper are: math
6
The categories of this paper are: astro-ph
5
The categories of this paper are: gr-qc
25
The categories of this paper are: patt-sol
34
The categories of this paper are: chem-ph
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The categories of this paper are: dg-ga
14
The categories of this paper are: math-ph
31
The categories of this paper are: ao-sci
13
The categories of this paper are: quant-ph