2,832 research outputs found
A new model for simulating colloidal dynamics
We present a new hybrid lattice-Boltzmann and Langevin molecular dynamics
scheme for simulating the dynamics of suspensions of spherical colloidal
particles. The solvent is modeled on the level of the lattice-Boltzmann method
while the molecular dynamics is done for the solute. The coupling between the
two is implemented through a frictional force acting both on the solvent and on
the solute, which depends on the relative velocity. A spherical colloidal
particle is represented by interaction sites at its surface. We demonstrate
that this scheme quantitatively reproduces the translational and rotational
diffusion of a neutral spherical particle in a liquid and show preliminary
results for a charged spherical particle. We argue that this method is
especially advantageous in the case of charged colloids.Comment: For a movie click on the link below Fig
Electrophoretic mobility of a charged colloidal particle: A computer simulation study
We study the mobility of a charged colloidal particle in a constant
homogeneous electric field by means of computer simulations. The simulation
method combines a lattice Boltzmann scheme for the fluid with standard Langevin
dynamics for the colloidal particle, which is built up from a net of bonded
particles forming the surface of the colloid. The coupling between the two
subsystems is introduced via friction forces. In addition explicit counterions,
also coupled to the fluid, are present. We observe a non-monotonous dependence
of the electrophoretic mobility on the bare colloidal charge. At low surface
charge density we observe a linear increase of the mobility with bare charge,
whereas at higher charges, where more than half of the ions are co-moving with
the colloid, the mobility decreases with increasing bare charge.Comment: 15 pages, 8 figure
CO abundances in a protostellar cloud: freeze-out and desorption in the envelope and outflow of L483
CO isotopes are able to probe the different components in protostellar
clouds. These components, core, envelope and outflow have distinct physical
conditions and sometimes more than one component contributes to the observed
line profile. In this study we determine how CO isotope abundances are altered
by the physical conditions in the different components. We use a 3D molecular
line transport code to simulate the emission of four CO isotopomers, 12CO
J=2-1, 13CO J=2-1, C18O J=2-1 and C17O J=2-1 from the Class 0/1 object L483,
which contains a cold quiescent core, an infalling envelope and a clear
outflow. Our models replicate JCMT (James Clerk Maxwell Telescope) line
observations with the inclusion of freeze-out, a density profile and infall.
Our model profiles of 12CO and 13CO have a large linewidth due to a high
velocity jet. These profiles replicate the process of more abundant material
being susceptible to a jet. C18O and C17O do not display such a large linewidth
as they trace denser quiescent material deep in the cloud.Comment: 9 figures, 13 pages, 2 table
Fluctuating lattice Boltzmann
The lattice Boltzmann algorithm efficiently simulates the Navier Stokes
equation of isothermal fluid flow, but ignores thermal fluctuations of the
fluid, important in mesoscopic flows. We show how to adapt the algorithm to
include noise, satisfying a fluctuation-dissipation theorem (FDT) directly at
lattice level: this gives correct fluctuations for mass and momentum densities,
and for stresses, at all wavevectors . Unlike previous work, which recovers
FDT only as , our algorithm offers full statistical mechanical
consistency in mesoscale simulations of, e.g., fluctuating colloidal
hydrodynamics.Comment: 7 pages, 3 figures, to appear in Europhysics Letter
Statistical Mechanics of the Fluctuating Lattice Boltzmann Equation
We propose a new formulation of the fluctuating lattice Boltzmann equation
that is consistent with both equilibrium statististical mechanics and
fluctuating hydrodynamics. The formalism is based on a generalized lattice-gas
model, with each velocity direction occupied by many particles. We show that
the most probable state of this model corresponds to the usual equilibrium
distribution of the lattice Boltzmann equation. Thermal fluctuations about this
equilibrium are controlled by the mean number of particles at a lattice site.
Stochastic collision rules are described by a Monte Carlo process satisfying
detailed balance. This allows for a straightforward derivation of discrete
Langevin equations for the fluctuating modes. It is shown that all
non-conserved modes should be thermalized, as first pointed out by Adhikari et
al.; any other choice violates the condition of detailed balance. A
Chapman-Enskog analysis is used to derive the equations of fluctuating
hydrodynamics on large length and time scales; the level of fluctuations is
shown to be thermodynamically consistent with the equation of state of an
isothermal, ideal gas. We believe this formalism will be useful in developing
new algorithms for thermal and multiphase flows.Comment: Submitted to Physical Review E-11 pages Corrected Author(s) field on
submittal for
Integrated silicon qubit platform with single-spin addressability, exchange control and robust single-shot singlet-triplet readout
Silicon quantum dot spin qubits provide a promising platform for large-scale
quantum computation because of their compatibility with conventional CMOS
manufacturing and the long coherence times accessible using Si enriched
material. A scalable error-corrected quantum processor, however, will require
control of many qubits in parallel, while performing error detection across the
constituent qubits. Spin resonance techniques are a convenient path to parallel
two-axis control, while Pauli spin blockade can be used to realize local parity
measurements for error detection. Despite this, silicon qubit implementations
have so far focused on either single-spin resonance control, or control and
measurement via voltage-pulse detuning in the two-spin singlet-triplet basis,
but not both simultaneously. Here, we demonstrate an integrated device platform
incorporating a silicon metal-oxide-semiconductor double quantum dot that is
capable of single-spin addressing and control via electron spin resonance,
combined with high-fidelity spin readout in the singlet-triplet basis.Comment: 10 pages, 4 figure
No self-similar aggregates with sedimentation
Two-dimensional cluster-cluster aggregation is studied when clusters move
both diffusively and sediment with a size dependent velocity. Sedimentation
breaks the rotational symmetry and the ensuing clusters are not self-similar
fractals: the mean cluster width perpendicular to the field direction grows
faster than the height. The mean width exhibits power-law scaling with respect
to the cluster size, ~ s^{l_x}, l_x = 0.61 +- 0.01, but the mean height
does not. The clusters tend to become elongated in the sedimentation direction
and the ratio of the single particle sedimentation velocity to single particle
diffusivity controls the degree of orientation. These results are obtained
using a simulation method, which becomes the more efficient the larger the
moving clusters are.Comment: 10 pages, 10 figure
The cellular heat shock response monitored by chemical exchange saturation transfer MRI
CEST-MRI of the rNOE signal has been demonstrated in vitro to be closely linked to the protein conformational state. As the detectability of denaturation and aggregation processes on a physiologically relevant scale in living organisms has yet to be verified, the aim of this study was to perform heat-shock experiments with living cells to monitor the cellular heat-shock response of the rNOE CEST signal. Cancer cells (HepG2) were dynamically investigated after a mild, non-lethal heat-shock of 42 °C for 20 min using an MR-compatible bioreactor system at 9.4 T. Reliable and fast high-resolution CEST imaging was realized by a relaxation-compensated 2-point contrast metric. After the heat-shock, a substantial decrease of the rNOE CEST signal by 8.0 ± 0.4% followed by a steady signal recovery within a time of 99.1 ± 1.3 min was observed in two independent trials. This continuous signal recovery is in coherence with chaperone-induced refolding of heat-shock induced protein aggregates. We demonstrated that protein denaturation processes influence the CEST-MRI signal on a physiologically relevant scale. Thus, the protein folding state is, along with concentration changes, a relevant physiological parameter for the interpretation of CEST signal changes in diseases that are associated with pathological changes in protein expression, like cancer and neurodegenerative diseases
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