1,259 research outputs found
Long term ordering kinetics of the two dimensional q-state Potts model
We studied the non-equilibrium dynamics of the q-state Potts model in the
square lattice, after a quench to sub-critical temperatures. By means of a
continuous time Monte Carlo algorithm (non-conserved order parameter dynamics)
we analyzed the long term behavior of the energy and relaxation time for a wide
range of quench temperatures and system sizes. For q>4 we found the existence
of different dynamical regimes, according to quench temperature range. At low
(but finite) temperatures and very long times the Lifshitz-Allen-Cahn domain
growth behavior is interrupted with finite probability when the system stuck in
highly symmetric non-equilibrium metastable states, which induce activation in
the domain growth, in agreement with early predictions of Lifshitz [JETP 42,
1354 (1962)]. Moreover, if the temperature is very low, the system always gets
stuck at short times in a highly disordered metastable states with finite life
time, which have been recently identified as glassy states. The finite size
scaling properties of the different relaxation times involved, as well as their
temperature dependency are analyzed in detail.Comment: 10 pages, 17 figure
Economic analysis of fertilizer options for maize production in Tanzania
United States Agency for International Developmen
Constructing patch-based ligand-binding pocket database for predicting function of proteins
Background
Many of solved tertiary structures of unknown functions do not have global sequence and structural similarities to proteins of known function. Often functional clues of unknown proteins can be obtained by predicting small ligand molecules that bind to the proteins. Methods
In our previous work, we have developed an alignment free local surface-based pocket comparison method, named Patch-Surfer, which predicts ligand molecules that are likely to bind to a protein of interest. Given a query pocket in a protein, Patch-Surfer searches a database of known pockets and finds similar ones to the query. Here, we have extended the database of ligand binding pockets for Patch-Surfer to cover diverse types of binding ligands. Results and conclusion
We selected 9393 representative pockets with 2707 different ligand types from the Protein Data Bank. We tested Patch-Surfer on the extended pocket database to predict binding ligand of 75 non-homologous proteins that bind one of seven different ligands. Patch-Surfer achieved the average enrichment factor at 0.1 percent of over 20.0. The results did not depend on the sequence similarity of the query protein to proteins in the database, indicating that Patch-Surfer can identify correct pockets even in the absence of known homologous structures in the database
Landscape natural resources management using forage grasses and legume intercrops
United States Agency for International Developmen
On the low-temperature lattice thermal transport in nanowires
We propose a theory of low temperature thermal transport in nano-wires in the
regime where a competition between phonon and flexural modes governs the
relaxation processes. Starting with the standard kinetic equations for two
different types of quasiparticles we derive a general expression for the
coefficient of thermal conductivity. The underlying physics of thermal
conductance is completely determined by the corresponding relaxation times,
which can be calculated directly for any dispersion of quasiparticles depending
on the size of a system. We show that if the considered relaxation mechanism is
dominant, then at small wire diameters the temperature dependence of thermal
conductivity experiences a crossover from to -dependence.
Quantitative analysis shows reasonable agreement with resent experimental
results.Comment: 12 pages, 3 eps figure
Three-dimensional antiferromagnetic q-state Potts models: application of the Wang-Landau algorithm
We apply a newly proposed Monte Carlo method, the Wang-Landau algorithm, to
the study of the three-dimensional antiferromagnetic q-state Potts models on a
simple cubic lattice. We systematically study the phase transition of the
models with q=3, 4, 5 and 6. We obtain the finite-temperature phase transition
for q= 3 and 4, whereas the transition temperature is down to zero for q=5. For
q=6 there exists no order for all the temperatures. We also study the
ground-state properties. The size-dependence of the ground-state entropy is
investigated. We find that the ground-state entropy is larger than the
contribution from the typical configurations of the broken-sublattice-symmetry
state for q=3. The same situations are found for q = 4, 5 and 6.Comment: 9 pages including 9 eps figures, RevTeX, to appear in J. Phys.
Non-existence of stationary two-black-hole configurations
We resume former discussions of the question, whether the spin-spin repulsion
and the gravitational attraction of two aligned black holes can balance each
other. To answer the question we formulate a boundary value problem for two
separate (Killing-) horizons and apply the inverse (scattering) method to solve
it. Making use of results of Manko, Ruiz and Sanabria-G\'omez and a novel black
hole criterion, we prove the non-existence of the equilibrium situation in
question.Comment: 15 pages, 3 figures; Contribution to Juergen Ehlers Memorial Issue
(GeRG journal
Study of the Potts Model on the Honeycomb and Triangular Lattices: Low-Temperature Series and Partition Function Zeros
We present and analyze low-temperature series and complex-temperature
partition function zeros for the -state Potts model with on the
honeycomb lattice and on the triangular lattice. A discussion is given
as to how the locations of the singularities obtained from the series analysis
correlate with the complex-temperature phase boundary. Extending our earlier
work, we include a similar discussion for the Potts model with on the
honeycomb lattice and with on the kagom\'e lattice.Comment: 33 pages, Latex, 9 encapsulated postscript figures, J. Phys. A, in
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