941 research outputs found
Surface Samples in Belgica Mound Province Hovland Mound Province, West Rockall Bank and Northern Porcupine Bank. In: Ratmeyer, V., Hebbeln, D. & Shipboard Party: Report and Preliminary Results of RV Meteor Cruise M61/3
Sediment surface sampling with giant box corer. In: Ratmeyer, V., Hebbeln, D & Shipboard Party: Report and Preliminary Results of RV Meteor Cruise M61/3
Nematic phase in the J-J square lattice Ising model in an external field
The J-J Ising model in the square lattice in the presence of an
external field is studied by two approaches: the Cluster Variation Method (CVM)
and Monte Carlo simulations. The use of the CVM in the square approximation
leads to the presence of a new equilibrium phase, not previously reported for
this model: an Ising-nematic phase, which shows orientational order but not
positional order, between the known stripes and disordered phases. Suitable
order parameters are defined and the phase diagram of the model is obtained.
Monte Carlo simulations are in qualitative agreement with the CVM results,
giving support to the presence of the new Ising-nematic phase. Phase diagrams
in the temperature-external field plane are obtained for selected values of the
parameter which measures the relative strength of the
competing interactions. From the CVM in the square approximation we obtain a
line of second order transitions between the disordered and nematic phases,
while the nematic-stripes phase transitions are found to be of first order. The
Monte Carlo results suggest a line of second order nematic-disordered phase
transitions in agreement with the CVM results. Regarding the stripes-nematic
transitions, the present Monte Carlo results are not precise enough to reach
definite conclusions about the nature of the transitions.Comment: 13 pages, 10 figure
Identifying optimal cycles in quantum thermal machines with reinforcement-learning
The optimal control of open quantum systems is a challenging task but has a key role in improving existing quantum information processing technologies. We introduce a general framework based on reinforcement learning to discover optimal thermodynamic cycles that maximize the power of out-of-equilibrium quantum heat engines and refrigerators. We apply our method, based on the soft actor-critic algorithm, to three systems: a benchmark two-level system heat engine, where we find the optimal known cycle; an experimentally realistic refrigerator based on a superconducting qubit that generates coherence, where we find a non-intuitive control sequence that outperforms previous cycles proposed in literature; a heat engine based on a quantum harmonic oscillator, where we find a cycle with an elaborate structure that outperforms the optimized Otto cycle. We then evaluate the corresponding efficiency at maximum power
Kinetic distance and kinetic maps from molecular dynamics simulation
Characterizing macromolecular kinetics from molecular dynamics (MD)
simulations requires a distance metric that can distinguish
slowly-interconverting states. Here we build upon diffusion map theory and
define a kinetic distance for irreducible Markov processes that quantifies how
slowly molecular conformations interconvert. The kinetic distance can be
computed given a model that approximates the eigenvalues and eigenvectors
(reaction coordinates) of the MD Markov operator. Here we employ the
time-lagged independent component analysis (TICA). The TICA components can be
scaled to provide a kinetic map in which the Euclidean distance corresponds to
the kinetic distance. As a result, the question of how many TICA dimensions
should be kept in a dimensionality reduction approach becomes obsolete, and one
parameter less needs to be specified in the kinetic model construction. We
demonstrate the approach using TICA and Markov state model (MSM) analyses for
illustrative models, protein conformation dynamics in bovine pancreatic trypsin
inhibitor and protein-inhibitor association in trypsin and benzamidine
Model-free optimization of power/efficiency tradeoffs in quantum thermal machines using reinforcement learning
A quantum thermal machine is an open quantum system that enables the conversion between heat and work at the micro or nano-scale. Optimally controlling such out-of-equilibrium systems is a crucial yet challenging task with applications to quantum technologies and devices. We introduce a general model-free framework based on reinforcement learning to identify out-of-equilibrium thermodynamic cycles that are Pareto optimal tradeoffs between power and efficiency for quantum heat engines and refrigerators. The method does not require any knowledge of the quantum thermal machine, nor of the system model, nor of the quantum state. Instead, it only observes the heat fluxes, so it is both applicable to simulations and experimental devices. We test our method on a model of an experimentally realistic refrigerator based on a superconducting qubit, and on a heat engine based on a quantum harmonic oscillator. In both cases, we identify the Pareto-front representing optimal power-efficiency tradeoffs, and the corresponding cycles. Such solutions outperform previous proposals made in the literature, such as optimized Otto cycles, reducing quantum friction
Effects of confinement on pattern formation in two dimensional systems with competing interactions
Template-assisted pattern formation in monolayers of particles with competing short-range attraction and long-range repulsion interactions (SALR) is studied by Monte Carlo simulations in a simple generic model [N. G. Almarza et al., J. Chem. Phys., 2014, 140, 164708]. We focus on densities corresponding to formation of parallel stripes of particles and on monolayers laterally confined between straight parallel walls. We analyze both the morphology of the developed structures and the thermodynamic functions for broad ranges of temperature T and the separation L between the walls. At low temperature stripes parallel to the boundaries appear, with some corrugation when the distance between the walls does not match the bulk periodicity of the striped structure. The stripes integrity, however, is rarely broken for any L. This structural order is lost at T = T(L) depending on L according to a Kelvin-like equation. Above the Kelvin temperature T(L) many topological defects such as breaking or branching of the stripes appear, but a certain anisotropy in the orientation of the stripes persists. Finally, at high temperature and away from the walls, the system behaves as an isotropic fluid of elongated clusters of various lengths and with various numbers of branches. For L optimal for the stripe pattern the heat capacity as a function of temperature takes the maximum at T = T(L).Peer Reviewe
Phase diagram of a two-dimensional lattice gas model of a ramp system
Using Monte Carlo Simulation and fundamental measure theory we study the
phase diagram of a two-dimensional lattice gas model with a nearest neighbor
hard core exclusion and a next-to-nearest neighbors finite repulsive
interaction. The model presents two competing ranges of interaction and, in
common with many experimental systems, exhibits a low density solid phase,
which melts back to the fluid phase upon compression. The theoretical approach
is found to provide a qualitatively correct picture of the phase diagram of our
model system.Comment: 14 pages, 8 figures, uses RevTex
Ultradiscrete kinks with supersonic speed in a layered crystal with realistic potentials
We develop a dynamical model of the propagating nonlinear localized
excitations, supersonic kinks, in the cation layer in a silicate mica crystal.
We start from purely electrostatic Coulomb interaction and add the
Ziegler-Biersack-Littmark short-range repulsive potential and the periodic
potential produced by other atoms of the lattice. This approach allows the
construction of supersonic kinks which can propagate in the lattice within a
large range of energies and velocities. The interparticle distances in the
lattice kinks with high energy are physically reasonable values. The
introduction of the periodic lattice potential results in the important feature
that the kinks propagate with a single velocity and a single energy which are
independent on the excitation conditions. The found kinks are ultra-discrete
and can be described with the "magic wave number" , which was
previously revealed in the nonlinear sinusoidal waves and supersonic kinks in
the Fermi-Pasta-Ulam lattice. The extreme discreteness of the supersonic kinks,
with basically two particles moving at the same time, allows the interpretation
of their double-kink structure. The energy of the supersonic kinks is between
the possible source of K recoil in beta decay and the energy necessary
for the ejection of an atom at the border as has been found experimentally.Comment: 14 pages, 15 figure
ReaDDyMM: fast interacting-particle reaction-diffusion simulations using graphical processing units
AbstractReaDDy is a modular particle simulation package combining off-lattice reaction kinetics with arbitrary particle interaction forces. Here we present a graphical processing unit implementation of ReaDDy that employs the fast multiplatform molecular dynamics package OpenMM. A speedup of up to two orders of magnitude is demonstrated, giving us access to timescales of multiple seconds on single graphical processing units. This opens up the possibility of simulating cellular signal transduction events while resolving all protein copies
- …