60,859 research outputs found
Zero-Variance Zero-Bias Principle for Observables in quantum Monte Carlo: Application to Forces
A simple and stable method for computing accurate expectation values of
observable with Variational Monte Carlo (VMC) or Diffusion Monte Carlo (DMC)
algorithms is presented. The basic idea consists in replacing the usual
``bare'' estimator associated with the observable by an improved or
``renormalized'' estimator. Using this estimator more accurate averages are
obtained: Not only the statistical fluctuations are reduced but also the
systematic error (bias) associated with the approximate VMC or (fixed-node) DMC
probability densities. It is shown that improved estimators obey a
Zero-Variance Zero-Bias (ZVZB) property similar to the usual Zero-Variance
Zero-Bias property of the energy with the local energy as improved estimator.
Using this property improved estimators can be optimized and the resulting
accuracy on expectation values may reach the remarkable accuracy obtained for
total energies. As an important example, we present the application of our
formalism to the computation of forces in molecular systems. Calculations of
the entire force curve of the H,LiH, and Li molecules are presented.
Spectroscopic constants (equilibrium distance) and (harmonic
frequency) are also computed. The equilibrium distances are obtained with a
relative error smaller than 1%, while the harmonic frequencies are computed
with an error of about 10%
Pinning time statistics for vortex lines in disordered environments
We study the pinning dynamics of magnetic flux (vortex) lines in a disordered
type-II superconductor. Using numerical simulations of a directed elastic line
model, we extract the pinning time distributions of vortex line segments. We
compare different model implementations for the disorder in the surrounding
medium: discrete, localized pinning potential wells that are either attractive
and repulsive or purely attractive, and whose strengths are drawn from a
Gaussian distribution; as well as continuous Gaussian random potential
landscapes. We find that both schemes yield power law distributions in the
pinned phase as predicted by extreme-event statistics, yet they differ
significantly in their effective scaling exponents and their short-time
behavior.Comment: 7 pages, 5 figures, to appear in Phys. Rev.
Origin of Spin Ice Behavior in Ising Pyrochlore Magnets with Long Range Dipole Interactions: an Insight from Mean-Field Theory
Recent experiments suggest that the Ising pyrochlore magnets and display qualitative
properties of the ferromagnetic nearest neighbor spin ice model proposed by
Harris {\it et al.}, Phys. Rev. Lett. {\bf 79}, 2554 (1997). The manifestation
of spin ice behavior in these systems {\it despite} the energetic constraints
introduced by the strength and the long range nature of dipole-dipole
interactions, remains difficult to understand. We report here results from a
mean field analysis that shed some light on the origin of spin ice behavior in
(111) Ising pyrochlores. Specifically, we find that there exist a large
frustrating effect of the dipolar interactions beyond the nearest neighbor, and
that the degeneracy established by effective ferromagnetic nearest neighbor
interactions is only very weakly lifted by the long range interactions. Such
behavior only appears beyond a cut-off distance corresponding to
nearest neighbor. Our mean field analysis shows that truncation of dipolar
interactions leads to spurious ordering phenomena that change with the
truncation cut-off distance.Comment: 7 Color POSTSCRIPT figures included. To appear in Canadian Journal of
Physics for the Proceedings of the {\it Highly Frustrated Magnetism 2000
Conference}, Waterloo, Ontario, Canada, June 11-15, 2000 Contact:
[email protected]
Incorporation of H_2 in vitreous silica, qualitative and quantitative determination from Raman and infrared spectroscopy
Incorporation mechanisms of H_2 in silica glass were studied with Raman and
infrared (IR) microspectroscopy. Hydrogenated samples were prepared at
temperatures between 800 deg C and 955 deg C at 2 kbar total pressure. Hydrogen
fugacities (f_{H_2}) were controlled using the double capsule technique with
the iron-w\"ustite (IW) buffer assemblage generating f_{H_2} of 1290-1370 bars
corresponding to H_2 partial pressures (P_{H_2}) of 960-975 bars. We found that
silica glass hydrogenated under such conditions contains molecular hydrogen
(H_2) in addition to SiH and SiOH groups. H_2 molecules dissolved in the
quenched glasses introduce a band at 4136 cm^{-1} in the Raman spectra which in
comparison to that of gaseous H_2 is wider and is shifted to lower frequency.
IR spectra of hydrogenated samples contain a band at 4138 cm^{-1} which we
assign to the stretching vibration of H_2 molecules located in
non-centrosymmetric sites. The Raman and IR spectra indicate that the dissolved
H_2 molecules interact with the silicate network. We suggest that the H_2 band
is the envelope of at least three components due to the occupation of at least
three different interstitial sites by H_2 molecules. Both, Raman and IR spectra
of hydrogenated glasses contain bands at ~2255 cm^{-1} which may be due to the
vibration of SiH groups
Fragment properties at the catastrophic disruption threshold: The effect of the parent body's internal structure
Numerical simulations of asteroid break-ups, including both the fragmentation
of the parent body and the gravitational interactions between the fragments,
have allowed us to reproduce successfully the main properties of asteroid
families formed in different regimes of impact energy, starting from a
non-porous parent body. In this paper, using the same approach, we concentrate
on a single regime of impact energy, the so-called catastrophic threshold
usually designated by Q*D, which results in the escape of half of the target's
mass. Thanks to our recent implementation of a model of fragmentation of porous
materials, we can characterize Q*D for both porous and non-porous targets with
a wide range of diameters. We can then analyze the potential influence of
porosity on the value of Q*D, and by computing the gravitational phase of the
collision in the gravity regime, we can characterize the collisional outcome in
terms of the fragment size and ejection speed distributions, which are the main
outcome properties used by collisional models to study the evolutions of the
different populations of small bodies. We also check the dependency of Q*D on
the impact speed of the projectile. In the strength regime, which corresponds
to target sizes below a few hundreds of meters, we find that porous targets are
more difficult to disrupt than non-porous ones. In the gravity regime, the
outcome is controlled purely by gravity and porosity in the case of porous
targets. In the case of non-porous targets, the outcome also depends on
strength. We then propose some power-law relationships between Q*D and both
target's size and impact speed that can be used in collisional evolution
models.Comment: 18 pages, 19 Figures. Accepted for publication in Icaru
Evaluating The Effectiveness of Terrorism Risk Financing Solutions
The 9/11 attacks in the United States, as well as other attacks in different parts of the world, raise important questions related to the economic impact of terrorism. What are the most effective ways for a country to recover from these economic losses? Who should pay for the costs of future large-scale attacks? To address these two questions, we propose five principles to evaluate alternative programs. We first discuss how a federal insurance program with mandatory coverage and a laissez faire free-market approach for providing private insurance will fare relative to these principles. We conclude that neither solution is likely to be feasible here in the United States given the millions of firms at risk and the current structure of insurance regulation. We then evaluate how well the U.S. Terrorism Risk Insurance Act (TRIA), a public-private program to cover commercial enterprises against foreign terrorism on U.S. soil, meets the five principles. In particular, we show that TRIA has had a positive effect on availability of terrorism coverage and also has significantly contributed to reducing insurance premiums. TRIA is scheduled to terminate at the end of the year, but pending legislation would extend the program for fifteen years after December 31 (HR. 2761). In this paper, we show that such a long-term extension might have important impacts on the market. This could increase the take-up rate, as prices might be even lower than they are today. We show also, however, that if TRIA were extended for a long period of time in its current form, some insurers could "game" the program by collecting ex ante a large amount of premiums for terrorism insurance, while being financially responsible for only a small portion of the claims ex post. The general taxpayer and the general commercial policyholder (whether or not covered against terrorism) would absorb the residual insured losses. This raises major equity issues inherent in the design of the program.
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