1,548 research outputs found
Structure and optical properties of high light output halide scintillators
Structural and optical properties of several high light output halide
scintillators and closely related materials are presented based on first
principles calculations. The optical properties are based on the Engel-Vosko
generalized gradient approximation and the recently developed density
functional of Tran and Blaha. The materials investigated are BaBr, BaIBr,
BaCl, BaF, BaI, BiI, CaI, Cs_6_2_5_2_5_2_5_2_5_2_5_3_3_2_3_4_4$, most of these halides are highly isotropic from an
optical point of view even though in many cases the crystal structures and
other properties are not. This general result is rationalized in terms of
halide chemistry. Implications for the development of ceramic halide
scintillators are discussed
Listening and learning : the reciprocal relationship between worker and client
The relationship between worker and client has for the best part of 100 years been the mainstay of probation, and yet has recently been eroded by an increased emphasis on punishment, blame and managerialism. The views of offenders are in direct contradiction to these developments within the criminal justice system and this article argues that only by taking account of the views of those at the 'coal face' will criminologists, policy makers and practitioners be able to effect real change in crime rates. The article thus focuses on the views of a sample of previously persistent offenders in Scotland about offending, desistance and how the system can help them. It explores not only their need for friendship and support in youth but also the close association between relationships and the likelihood of offending. It also demonstrates the views of offenders themselves about the importance of the working relationship with supervising officers in helping them desist from crime. The article concludes that the most effective way of reducing offending is to re-engage with the message of the Probation Act of 100 years ago, namely, to 'advise, assist and befriend' offenders rather than to 'confront, challenge and change' offending behaviour
Experimental implementation of an adiabatic quantum optimization algorithm
We report the realization of a nuclear magnetic resonance computer with three
quantum bits that simulates an adiabatic quantum optimization algorithm.
Adiabatic quantum algorithms offer new insight into how quantum resources can
be used to solve hard problems. This experiment uses a particularly well suited
three quantum bit molecule and was made possible by introducing a technique
that encodes general instances of the given optimization problem into an easily
applicable Hamiltonian. Our results indicate an optimal run time of the
adiabatic algorithm that agrees well with the prediction of a simple
decoherence model.Comment: REVTeX, 5 pages, 4 figures, improved lay-out; accepted for
publication in Physical Review Letter
Monte Carlo Study of the Separation of Energy Scales in Quantum Spin 1/2 Chains with Bond Disorder
One-dimensional Heisenberg spin 1/2 chains with random ferro- and
antiferromagnetic bonds are realized in systems such as . We have investigated numerically the thermodynamic properties of a
generic random bond model and of a realistic model of by the quantum Monte Carlo loop algorithm. For the first time we
demonstrate the separation into three different temperature regimes for the
original Hamiltonian based on an exact treatment, especially we show that the
intermediate temperature regime is well-defined and observable in both the
specific heat and the magnetic susceptibility. The crossover between the
regimes is indicated by peaks in the specific heat. The uniform magnetic
susceptibility shows Curie-like behavior in the high-, intermediate- and
low-temperature regime, with different values of the Curie constant in each
regime. We show that these regimes are overlapping in the realistic model and
give numerical data for the analysis of experimental tests.Comment: 7 pages, 5 eps-figures included, typeset using JPSJ.sty, accepted for
publication in J. Phys. Soc. Jpn. 68, Vol. 3. (1999
Path integral Monte Carlo simulations of silicates
We investigate the thermal expansion of crystalline SiO in the --
cristobalite and the -quartz structure with path integral Monte Carlo
(PIMC) techniques. This simulation method allows to treat low-temperature
quantum effects properly. At temperatures below the Debye temperature, thermal
properties obtained with PIMC agree better with experimental results than those
obtained with classical Monte Carlo methods.Comment: 27 pages, 10 figures, Phys. Rev. B (in press
Upon the existence of short-time approximations of any polynomial order for the computation of density matrices by path integral methods
In this article, I provide significant mathematical evidence in support of
the existence of short-time approximations of any polynomial order for the
computation of density matrices of physical systems described by arbitrarily
smooth and bounded from below potentials. While for Theorem 2, which is
``experimental'', I only provide a ``physicist's'' proof, I believe the present
development is mathematically sound. As a verification, I explicitly construct
two short-time approximations to the density matrix having convergence orders 3
and 4, respectively. Furthermore, in the Appendix, I derive the convergence
constant for the trapezoidal Trotter path integral technique. The convergence
orders and constants are then verified by numerical simulations. While the two
short-time approximations constructed are of sure interest to physicists and
chemists involved in Monte Carlo path integral simulations, the present article
is also aimed at the mathematical community, who might find the results
interesting and worth exploring. I conclude the paper by discussing the
implications of the present findings with respect to the solvability of the
dynamical sign problem appearing in real-time Feynman path integral
simulations.Comment: 19 pages, 4 figures; the discrete short-time approximations are now
treated as independent from their continuous version; new examples of
discrete short-time approximations of order three and four are given; a new
appendix containing a short review on Brownian motion has been added; also,
some additional explanations are provided here and there; this is the last
version; to appear in Phys. Rev.
Chaos, containment and change: responding to persistent offending by young people
This article reviews policy developments in Scotland concerning 'persistent young offenders' and then describes the design of a study intended to assist a local planning group in developing its response. The key findings of a review of casefiles of young people involved in persistent offending are reported. It emerges that youth crime and young people involved in offending are more complex and heterogeneous than is sometimes assumed. This, along with a review of some literature about desistance from offending, reaffirms the need for properly individualised interventions. Studies of 'desisters' suggest the centrality of effective and engaging working relationships in this process. However, these studies also re-assert the significance of the social contexts of workers’ efforts to bring 'change' out of 'chaos'. We conclude therefore that the 'new correctionalism' must be tempered with appreciation of the social exclusion of young people who offend
Efficient numerical integrators for stochastic models
The efficient simulation of models defined in terms of stochastic
differential equations (SDEs) depends critically on an efficient integration
scheme. In this article, we investigate under which conditions the integration
schemes for general SDEs can be derived using the Trotter expansion. It follows
that, in the stochastic case, some care is required in splitting the stochastic
generator. We test the Trotter integrators on an energy-conserving Brownian
model and derive a new numerical scheme for dissipative particle dynamics. We
find that the stochastic Trotter scheme provides a mathematically correct and
easy-to-use method which should find wide applicability.Comment: v
Thermodynamic and diamagnetic properties of weakly doped antiferromagnets
Finite-temperature properties of weakly doped antiferromagnets as modeled by
the two-dimensional t-J model and relevant to underdoped cuprates are
investigated by numerical studies of small model systems at low doping. Two
numerical methods are used: the worldline quantum Monte Carlo method with a
loop cluster algorithm and the finite-temperature Lanczos method, yielding
consistent results. Thermodynamic quantities: specific heat, entropy and spin
susceptibility reveal a sizeable perturbation induced by holes introduced into
a magnetic insulator, as well as a pronounced temperature dependence. The
diamagnetic susceptibility introduced by coupling of the magnetic field to the
orbital current reveals an anomalous temperature dependence, changing character
from diamagnetic to paramagnetic at intermediate temperatures.Comment: LaTeX, 10 pages, 10 figures, submitted to Phys. Rev.
New Insights into Mutable Collagenous Tissue: Correlations between the Microstructure and Mechanical State of a Sea-Urchin Ligament
The mutable collagenous tissue (MCT) of echinoderms has the ability to undergo rapid and reversible changes in passive mechanical properties that are initiated and modulated by the nervous system. Since the mechanism of MCT mutability is poorly understood, the aim of this work was to provide a detailed morphological analysis of a typical mutable collagenous structure in its different mechanical states. The model studied was the compass depressor ligament (CDL) of a sea urchin (Paracentrotus lividus), which was characterized in different functional states mimicking MCT mutability. Transmission electron microscopy, histochemistry, cryo-scanning electron microscopy, focused ion beam/scanning electron microscopy, and field emission gun-environmental scanning electron microscopy were used to visualize CDLs at the micro- and nano-scales. This investigation has revealed previously unreported differences in both extracellular and cellular constituents, expanding the current knowledge of the relationship between the organization of the CDL and its mechanical state. Scanning electron microscopies in particular provided a three-dimensional overview of CDL architecture at the micro- and nano-scales, and clarified the micro-organization of the ECM components that are involved in mutability. Further evidence that the juxtaligamental cells are the effectors of these changes in mechanical properties was provided by a correlation between their cytology and the tensile state of the CDLs
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