1,952 research outputs found
Open-boundary Ehrenfest molecular dynamics: towards a model of current unduced heating in nanowires
We present a time-dependent method based on the single-particle electron density matrix that allows the electronic and ionic degrees of freedom to be modelled within the Ehrenfest approximation in the presence of open boundaries. We describe a practical implementation using tight binding, and use it to investigate steady-state conduction through a single-atom device and to perform molecular dynamics. We find that in the Ehrenfest approximation an electric current allows both ionic heating and cooling to take place, depending on the bias
Nonequilibrium dynamics of random field Ising spin chains: exact results via real space RG
Non-equilibrium dynamics of classical random Ising spin chains are studied
using asymptotically exact real space renormalization group. Specifically the
random field Ising model with and without an applied field (and the Ising spin
glass (SG) in a field), in the universal regime of a large Imry Ma length so
that coarsening of domains after a quench occurs over large scales. Two types
of domain walls diffuse in opposite Sinai random potentials and mutually
annihilate. The domain walls converge rapidly to a set of system-specific
time-dependent positions {\it independent of the initial conditions}. We obtain
the time dependent energy, magnetization and domain size distribution
(statistically independent). The equilibrium limits agree with known exact
results. We obtain exact scaling forms for two-point equal time correlation and
two-time autocorrelations. We also compute the persistence properties of a
single spin, of local magnetization, and of domains. The analogous quantities
for the spin glass are obtained. We compute the two-point two-time correlation
which can be measured by experiments on spin-glass like systems. Thermal
fluctuations are found to be dominated by rare events; all moments of truncated
correlations are computed. The response to a small field applied after waiting
time , as measured in aging experiments, and the fluctuation-dissipation
ratio are computed. For ,
, it equals its equilibrium value X=1, though time
translational invariance fails. It exhibits for aging regime
with non-trivial , different from mean field.Comment: 55 pages, 9 figures, revte
Singular solutions of the diffusion equation of population genetics
The forward diffusion equation for gene frequency dynamics is solved subject to the condition that the total probability is conserved at all times. This can lead to solutions developing singular spikes (Dirac delta functions) at the gene frequencies 0 and 1. When such spikes appear in solutions they signal gene loss or gene fixation, with the "weight" associated with the spikes corresponding to the probability of loss or fixation. The forward diffusion equation is thus solved for all gene frequencies, namely the absorbing frequencies of 0 and 1 along with the continuous range of gene frequencies on the interval (0; 1) that excludes the frequencies 0 and 1. Previously, the probabilities if the absorbing frequencies 0 and 1 were found by appeal to the backward diffusion equation, while those in the continuous range (0; 1) were found from the forward diffusion equation. Our uni fied approach does not require two separate equations for a complete dynamical treatment of all gene frequencies within a diffusion approximation framework. For cases involving mutation, migration and selection, it is shown that a property of the deterministic part of gene frequency dynamics determines when fixation and loss can occur. It is also shown how solution of the forward equation, at long times, leads to the standard result for the fixation probability
Determining surface magnetization and local magnetic moments with atomic scale resolution
We propose a method to determine the direction of surface magnetization and
local magnetic moments on the atomic scale. The method comprises high
resolution scanning tunneling microscope experiments in conjunction with first
principles simulations of the tunneling current. The potential of the method is
demonstrated on a model system, antiferromagnetic Mn overlayers on W(110). We
expect that it will ultimately allow to study the detailed changes of magnetic
surface structures in the vicinity of dopants or impurities.Comment: Four pages (RevTeX) and five figures (EPS). For related papers see
http://cmmp.phys.ucl.ac.uk/~wah
The formation of pitted features on the international simple glass during dynamic experiments at alkaline pH
The forward rate of dissolution of the International Simple Glass (ISG) was determined under alkaline conditions at 40 °C using the Single Pass Flow Through (SPFT) method. Forward rates were consistent with those obtained in the literature for this glass composition. The formation of altered gel layers and surface pits was observed on the surface of glass particles, especially at the very highest pH values, despite the application of high flow rates to prevent the build-up of solubility limiting phases. These features could be attributed to preferential localized dissolution at sites with a higher alkali concentration or from a separate, less durable, vitreous phase. These results may indicate that surface pit and altered gel formation occurs under the forward rate of dissolution as imposed by the SPFT method, particularly for simplified borosilicate glass materials
Specific Heat Exponent for the 3-d Ising Model from a 24-th Order High Temperature Series
We compute high temperature expansions of the 3-d Ising model using a
recursive transfer-matrix algorithm and extend the expansion of the free energy
to 24th order. Using ID-Pade and ratio methods, we extract the critical
exponent of the specific heat to be alpha=0.104(4).Comment: 10 pages, LaTeX with 5 eps-figures using epsf.sty, IASSNS-93/83 and
WUB-93-4
A real space renormalization group approach to spin glass dynamics
The slow non-equilibrium dynamics of the Edwards-Anderson spin glass model on
a hierarchical lattice is studied by means of a coarse-grained description
based on renormalization concepts. We evaluate the isothermal aging properties
and show how the occurrence of temperature chaos is connected to a gradual loss
of memory when approaching the overlap length. This leads to rejuvenation
effects in temperature shift protocols and to rejuvenation--memory effects in
temperature cycling procedures with a pattern of behavior parallel to
experimental observations.Comment: 4 pages, 4 figure
Tip effects in scanning tunnelling microscopy of atomic-scale magnetic structures
The spin-polarized scanning tunnelling microscope (STM) can in principle
resolve not only the electronic, but also the magnetic surface structure. We
model recent STM measurements achieving magnetic resolution on the atomic scale
by a first-principles method. It is shown that the signature of a specific
magnetic or non-magnetic STM tip can unambiguously be identified. It is also
established that the model of Tersoff and Hamann would yield an electronic as
well as magnetic contrast of the surface which is well below STM resolution.Comment: Four pages (RevTeX) and three figures (EPS). For related papers see
http://cmmp.phys.ucl.ac.uk/~wah/index.htm
Smeared phase transition in a three-dimensional Ising model with planar defects: Monte-Carlo simulations
We present results of large-scale Monte Carlo simulations for a
three-dimensional Ising model with short range interactions and planar defects,
i.e., disorder perfectly correlated in two dimensions. We show that the phase
transition in this system is smeared, i.e., there is no single critical
temperature, but different parts of the system order at different temperatures.
This is caused by effects similar to but stronger than Griffiths phenomena. In
an infinite-size sample there is an exponentially small but finite probability
to find an arbitrary large region devoid of impurities. Such a rare region can
develop true long-range order while the bulk system is still in the disordered
phase. We compute the thermodynamic magnetization and its finite-size effects,
the local magnetization, and the probability distribution of the ordering
temperatures for different samples. Our Monte-Carlo results are in good
agreement with a recent theory based on extremal statistics.Comment: 9 pages, 6 eps figures, final version as publishe
Calculation of ground states of four-dimensional +or- J Ising spin glasses
Ground states of four-dimensional (d=4) EA Ising spin glasses are calculated
for sizes up to 7x7x7x7 using a combination of a genetic algorithm and
cluster-exact approximation. The ground-state energy of the infinite system is
extrapolated as e_0=-2.095(1). The ground-state stiffness (or domain wall)
energy D is calculated. A D~L^{\Theta} behavior with \Theta=0.65(4) is found
which confirms that the d=4 model has an equilibrium spin-glass-paramagnet
transition for non-zero T_c.Comment: 5 pages, 3 figures, 31 references, revtex; update of reference
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