2,049 research outputs found
Lane-formation vs. cluster-formation in two dimensional square-shoulder systems: A genetic algorithm approach
Introducing genetic algorithms as a reliable and efficient tool to find
ordered equilibrium structures, we predict minimum energy configurations of the
square shoulder system for different values of corona width . Varying
systematically the pressure for different values of we obtain
complete sequences of minimum energy configurations which provide a deeper
understanding of the system's strategies to arrange particles in an
energetically optimized fashion, leading to the competing self-assembly
scenarios of cluster-formation vs. lane-formation.Comment: 5 pages, 6 figure
Relationships between synoptic-scale transport and interannual variability of inorganic cations in surface snow at Summit, Greenland: 1992-1996
To fully utilize the long-term chemical records retrieved from central Greenland ice cores, specific relationships between atmospheric circulation and the variability of chemical species in the records need to be better understood. This research examines associations between the variability of surface snow inorganic cation chemistry at Summit, Greenland (collected during 1992–1996 summer field seasons) and changes in air mass transport pathways and source regions, as well as variations in aerosol source strength. Transport patterns and source regions are determined through 10-day isentropic backward air mass trajectories during a 1 month (late May to late June) common season over the 5 years. Changes in the extent of exposed continental surfaces in source regions are evaluated to estimate aerosol-associated calcium and magnesium ion source strength, while forest fire activity in the circumpolar north is investigated to estimate aerosol ammonium ion source strength. During the 1995 common season, 3 times more calcium and magnesium accumulated in the snowpack than the other study years. Also, an increasing trend of ammonium concentration was noted throughout the 5 years. Anomalous transport pathways and velocities were observed during 1995, which likely contributed to the high levels of calcium and magnesium. Increased forest fire activity in North America was concurrent with increased levels of ammonium and potassium, except for 1996, when ion levels were above average and forest fire activity was below average. Because of the ubiquitous nature of soluble ions, we conclude that it is very difficult to establish a quantitative link between the ion content of snow and firn at Summit and changes in aerosol source regions and source strength
Degree Sequences and the Existence of -Factors
We consider sufficient conditions for a degree sequence to be forcibly
-factor graphical. We note that previous work on degrees and factors has
focused primarily on finding conditions for a degree sequence to be potentially
-factor graphical.
We first give a theorem for to be forcibly 1-factor graphical and, more
generally, forcibly graphical with deficiency at most . These
theorems are equal in strength to Chv\'atal's well-known hamiltonian theorem,
i.e., the best monotone degree condition for hamiltonicity. We then give an
equally strong theorem for to be forcibly 2-factor graphical.
Unfortunately, the number of nonredundant conditions that must be checked
increases significantly in moving from to , and we conjecture that
the number of nonredundant conditions in a best monotone theorem for a
-factor will increase superpolynomially in .
This suggests the desirability of finding a theorem for to be forcibly
-factor graphical whose algorithmic complexity grows more slowly. In the
final section, we present such a theorem for any , based on Tutte's
well-known factor theorem. While this theorem is not best monotone, we show
that it is nevertheless tight in a precise way, and give examples illustrating
this tightness.Comment: 19 page
A Survey of Best Monotone Degree Conditions for Graph Properties
We survey sufficient degree conditions, for a variety of graph properties,
that are best possible in the same sense that Chvatal's well-known degree
condition for hamiltonicity is best possible.Comment: 25 page
Phase behaviour of a symmetrical binary fluid mixture
We have investigated the phase behaviour of a symmetrical binary fluid
mixture for the situation where the chemical potentials and of
the two species differ. Attention is focused on the set of interparticle
interaction strengths for which, when , the phase diagram exhibits
both a liquid-vapor critical point and a tricritical point. The corresponding
phase behaviour for the case is investigated via
integral-equation theory calculations within the mean spherical approximation
(MSA), and grand canonical Monte Carlo (GCMC) simulations. We find that two
possible subtypes of phase behaviour can occur, these being distinguished by
the relationship between the critical lines in the full phase diagram in the
space of temperature, density, and concentration. We present the detailed form
of the phase diagram for both subtypes and compare with the results from GCMC
simulations, finding good overall agreement. The scenario via which one subtype
evolves into the other, is also studied, revealing interesting features.Comment: 22 pages, 13 figure
Saturated configuration interaction calculations for five-valent Ta and Db
Accurate atomic structure calculations of complicated atoms with 4 or more
valence electrons begin to push the memory and time limits of supercomputers.
This paper presents a robust method of decreasing the size of \textit{ab
initio} configuration interaction and many-body perturbation theory
calculations without undermining the accuracy of the resulting atomic spectra.
Our method makes it possible to saturate the CI matrix in atoms with many
valence electrons. We test our method on the five-valence-electron atom
tantalum and verify the convergence of the calculated energies. We then apply
the method to calculate spectra and isotope shifts of tantalum's superheavy
analogue dubnium. Isotope-shift calculations can be used to predict the spectra
of superheavy isotopes which may be produced in astrophysical phenomena
Liquid-vapor transition of systems with mean field universality class
We have considered a system where the interaction, v(r) = v_IS(r) + xi^2
v_MF(r), is given as a linear combination of two potentials, each of which
being characterized with a well-defined critical behavior: for v_IS(r) we have
chosen the potential of the restricted primitive model which is known to belong
to the Ising 3D (IS) universality class, while for v_MF(r) we have considered a
long-range interaction in the Kac-limit, displaying mean field (MF) behavior.
We study the performance of two theoretical approaches and of computer
simulations in the critical region for this particular system and give a
detailed comparison between theories and simulation of the critical region and
the location of the critical point. Both, theory and simulation give evidence
that the system belongs to the MF universality class for any positive value of
xi and that it shows only non-classical behavior for xi=0. While in this
limiting case theoretical approaches are known to fail, we find good agreement
for the critical properties between the theoretical approaches and the
simulations for xi^2 larger than 0.05.Comment: 9 pages, 11 figures, 3 table
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