2,871 research outputs found
Shape and symmetry determine two-dimensional melting transitions of hard regular polygons
The melting transition of two-dimensional (2D) systems is a fundamental
problem in condensed matter and statistical physics that has advanced
significantly through the application of computational resources and
algorithms. 2D systems present the opportunity for novel phases and phase
transition scenarios not observed in 3D systems, but these phases depend
sensitively on the system and thus predicting how any given 2D system will
behave remains a challenge. Here we report a comprehensive simulation study of
the phase behavior near the melting transition of all hard regular polygons
with vertices using massively parallel Monte Carlo simulations
of up to one million particles. By investigating this family of shapes, we show
that the melting transition depends upon both particle shape and symmetry
considerations, which together can predict which of three different melting
scenarios will occur for a given . We show that systems of polygons with as
few as seven edges behave like hard disks; they melt continuously from a solid
to a hexatic fluid and then undergo a first-order transition from the hexatic
phase to the fluid phase. We show that this behavior, which holds for all
, arises from weak entropic forces among the particles. Strong
directional entropic forces align polygons with fewer than seven edges and
impose local order in the fluid. These forces can enhance or suppress the
discontinuous character of the transition depending on whether the local order
in the fluid is compatible with the local order in the solid. As a result,
systems of triangles, squares, and hexagons exhibit a KTHNY-type continuous
transition between fluid and hexatic, tetratic, and hexatic phases,
respectively, and a continuous transition from the appropriate "x"-atic to the
solid. [abstract truncated due to arxiv length limitations]
Hard-disk equation of state: First-order liquid-hexatic transition in two dimensions with three simulation methods
We report large-scale computer simulations of the hard-disk system at high
densities in the region of the melting transition. Our simulations reproduce
the equation of state, previously obtained using the event-chain Monte Carlo
algorithm, with a massively parallel implementation of the local Monte Carlo
method and with event-driven molecular dynamics. We analyze the relative
performance of these simulation methods to sample configuration space and
approach equilibrium. Our results confirm the first-order nature of the melting
phase transition in hard disks. Phase coexistence is visualized for individual
configurations via the orientational order parameter field. The analysis of
positional order confirms the existence of the hexatic phase.Comment: 9 pages, 8 figures, 2 table
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