Structural ordering and antisite defect formation in double perovskites

We formulate an effective model for B-B′ site ordering in double perovskite materials A₂BB′O₆. Even within the simple framework of lattice-gas type models, we are able to address several experimentally observed issues including nonmonotonic dependence of the degree of order on annealing temperature, and the rapid decrease of order upon overdoping with either B or B′ species. We also study ordering in the “ternary” compounds A₂BB′_1−yB″_yO₆. Although our emphasis is on the double perovskites, our results are easily generalizable to a wide variety of binary and ternary alloys.     

Risk analysis in investment appraisal based on the Monte Carlo simulation technique by A. Hacura, M. Jadamus-Hacura and A. Kocot

Comment on Eur. Phys. J. B 20, 551 (2001) Since Hertz major work on investment appraisal using the Monte Carlo Simulation technique, the so called “Risk Analysis” has become a standard tool for supporting investment decisions [1,2]. A main problem in investment appraisal is to consider and specify the risk of investment projects in an appropriate way, for enabling consistent project evaluation. In calculating a risky project's net present value (NPV) the major difficulty is to quantify the project's risk for quantifying an appropriate risk adjusted discount rate (RADR). Theoretically not founded risk adjusted discount rates face a lot of critique. Furthermore it is discussed that the incorporation of a constant risk factor into the discount rate makes a certain assumption about the resolution of uncertainty over time [3] and finally that a single net present value could not in general reflect risk properly. Especially in consequence of the last point the proponents of simulation argue that a whole distribution of net present values shows a project's risk better than a single number. In the special issue “Econophysics” of this journal Hacura et al. tried to describe the methodology and use of Monte Carlo Simulation in investment appraisal [4]. The purpose of this comment is to point out three fundamental flaws in that article. Received 29 April 2002 Published online 19 December 2002 RID="a" ID="a"e-mail: robert.obermaier@wiwi.uni-regensburg.de     

Comparing traffic flow models with different number of “phases”

By comparing microscopic traffic flow models with a different number of phases in the context of a simple scenario, the similarities as well as the differences of the various traffic flow models can be discussed. It turns out that there is a certain range of traffic flow conditions, where it is difficult to discern the space-time patterns produced by the different models. However, there are some other regions in the parameter space, where clear differences can be detected. Although the results obtained here cannot directly transformed into a real test with real-world data, they may help to finally define realistic scenarios which would result in a clear decision about which model describes reality best.     

Hamiltonian map approach to 1D Anderson model

A one-dimensional diagonal tight binding electronic system is analyzed with the Hamiltonian map approach to study analytically the inverse localization length of an infinite sample. Both the uncorrelated and the dichotomic correlated random potential sequences are considered in the evaluations of the inverse localization length. Analytical expressions for the invariant measure or the angle density distribution are the main motivation of this work in order to derive analytical results. The well-known uncorrelated weak disorder result of the inverse localization length is derived with a clear procedure. In addition, an analytical expression for high disorder is obtained near the band edge. It is found that the inverse localization length goes to 1 in this limit. Following the procedure used in the uncorrelated situation, an analytical expression for the inverse localization length is also obtained for the dichotomic correlated sequence in the small disorder situation.     

Jet formation in the laser forward transfer of liquids

The dynamics of the laser-induced forward transfer (LIFT) of an aqueous solution is investigated through time-resolved imaging. The experiment is carried out at conditions under which droplets are deposited on a receptor substrate. The obtained images reveal that after an initial balloon-like stage, a uniform jet with a very long length and high aspect ratio is formed, which advances at constant speed until it finally becomes unstable and breaks into several droplets. This dynamics demonstrates that the deposition process of well-defined droplets through LIFT results from the contact of the liquid jet with the receptor substrate, and not from a flying droplet.     

Monte Carlo method for neutron spectrum recovery - a new approach based on the accelerated ions distribution

New method of neutron spectrum recovery described in the paper involves accelerated deuterons (that produce neutrons in DD reaction) and allows getting neutron spectrum in any direction from computed time-velocity characteristics of deuterons. Time of flight signals registered in various distances and directions are used, that makes information involved in the recovery process (Monte-Carlo simulation) more complete than in a one-directional case, although additional assumption about axial symmetry of deuterons motion, is required. In the paper recent results of two standard tests of the proposed method are presented demonstrating its capability to recover neutron spectrum from time-of-flight signals.     

Printing biological solutions through laser-induced forward transfer

Laser-induced forward transfer (LIFT) is a direct-writing technique adequate for the high-resolution printing of a wide range of materials, including biological molecules. In this article, the preparation through LIFT of microarrays of droplets from a solution containing rabbit antibody immunoglobulin G (IgG) is presented. The microarrays were prepared at different laser pulse energy conditions, obtaining microdroplets with a circular and well-defined contour. The transfer process has a double threshold: a minimum energy density required to generate an impulsion on the liquid film, and a minimum pulse energy, which corresponds to the onset for material ejection. In addition, it was demonstrated that the transfer process can be correctly described through a simple model which relates the energy density threshold with the amount of released material. Finally, a fluorescence assay was carried out in which the preservation of the activity of the transferred biomolecules was demonstrated.     

One-dimensional Anderson model with dichotomic correlation

A one-dimensional diagonal tight binding electronic system with dichotomic correlated disorder is investigated. The correlation of random potential exponentially decays with distance and also with the dichotomic correlation parameter λ. Using a appropriate approximation, an analytical transmission coefficient expression is obtained. The obtained analytical expression is then tested against the result of the direct numerical computation of the average transmission coefficient 〈T〉 for the Anderson model, by changing the system parameters. In the thermodynamic limit the transmission coefficient relation indicates the absence of localization-delocalization transition, which is entirely consistent with numerical predictions.     

One-dimensional Anderson model with dichotomic correlation in the presence of external electric field

A one-dimensional diagonal tight binding electronic system with dichotomic correlated disorder in the presence of external d.c field is investigated. It is found numerically that the conductance distribution obeys fairly well to log-normal distribution in weak disorder strength in localized regime, which indicates validity of single parameter scaling theory in this limit. Contrary to the universal cumulant relation C ₁ = 2C ₂ in the absence of d.c. field, we demonstrated numerically that C ₁ ≫ 2C ₂ in the presence of the field in localized regime. We interpret this result as suppression of the fluctuation effects by the external field. In addition, it is obtained that the quantity NF _c , here N is the system size and F _c is the crossover field, decreases as the as the system energy E increases. Moreover, we find numerically a simple linear relation between the average logarithm of the conductance 〈ln(g)〉 and the field strength as 〈ln(g)〉 = C(N, λ)F, here C(N, λ) is a constant for particular values of N and λ, which is the Poisson parameter of the dichotomic process.     

FANSY 1.0: a phenomenological model for simulation of coplanar particle generation in superhigh-energy hadron interactions

Simulations show that a phenomenon of coplanarity of most energetic subcores of γ-ray–hadron families found in mountain-based and stratospheric X-ray–emulsion chamber experiments requires to introduce a coplanar particle generation with large transverse momenta in hadron interactions at superhigh energies. Some physical mechanisms are considered. A phenomenological model, which makes it possible to simulate the coplanar particle generation, is presented. Different versions of this model are considered, their features are described and compared with those of models applied by the CORSIKA package. Cosmic-ray experimental data and simulated results are compared. Conclusion on features of hadron interactions at superhigh energies and some predictions with respect to LHC experiments are made.     

Slowing down in the three-dimensional three-state Potts glass with nearest neighbor exchange ± J: A Monte Carlo study

,Static and dynamic properties of the Potts model on the simple cubic lattice with nearest neighbor -interaction are obtained from Monte Carlo simulations in a temperature range where full thermal equilibrium still can be achieved (). For a lattice size L = 16, in this range finite size effects are still negligible, but the data for the spin glass susceptibility agree with previous extrapolations based on finite size scaling of very small lattices. While the static properties are compatible with a zero temperature transition, they certainly do not prove it. Unlike the Ising spin glass, the decay of the time-dependent order parameter is compatible with a simple Kohlrausch function, , while a power law prefactor cannot be distinguished. The Kohlrausch exponent y ( T ) decreases from at [0pt] to at [0pt] however. The relaxation time is compatible with the exponential divergence postulated by McMillan for spin glasses at their lower critical dimension, but the exponent that can be extracted still differs significantly from the theoretical value, . Thus the present results support the conclusion that the Potts spin glass in d = 3 dimensions differs qualitatively from the Ising spin glass. Received: 8 October 1997 / Accepted: 27 November 1997     

Learning to design resistance proof drugs from folding

Learning how proteins fold will hardly have any impact on the way conventional — active site centered — drugs are designed. On the other hand, this knowledge is proving instrumental in defining a new paradigm for the identification of drugs against any target protein: folding inhibition. Targeting folding renders drugs less susceptible to spontaneous genetic mutations that in many cases, notably in connection with retroviruses like the Human Immunodeficiency Virus (HIV), can abrogate drug effect. The progress which has taken place during the last years to understand which are the sequences of amino acids which code for a protein, and how to read from these sequences the associated three-dimensional, biologically active, native structure, constitutes the main subject of the present paper. From this narrative the idea of folding inhibitors emerges both naturally and, to some extent, inescapably.     

Twist free energy in a spin glass

The field theory of a short range spin glass with Gaussian random interactions, is considered near the upper critical dimension six. In the glassy phase, replica symmetry breaking is accompanied with massless Goldstone modes, generated by the breaking of reparametrization invariance of a Parisi type solution. Twisted boundary conditions are thus imposed at two opposite ends of the system in order to study the size dependence of the twist free energy. A loop-expansion is performed to first order around a twisted background. It is found, as expected but it is non trivial, that the theory does renormalize around such backgrounds, as well as for the bulk. However two main differences appear, in comparison with simple ferromagnetic transitions: (i) the loop expansion yields a (negative) anomaly in the size dependence of the free energy, thereby lifting the lower critical dimension to a value greater than two (ii) the free energy is lowered by twisting the boundary conditions. This situation is common in spin glasses, reflecting the non-positivity of mode multiplicity in replica symmetry breaking, but its physical meaning is still unclear. Received 12 April 2002 / Received in final form 30 July 2002 Published online 19 November 2002     

Mass resolved angular distribution in helium ion induced fission of233U

Mass resolved fission fragment angular distribution was measured in the 28.5 MeV alpha induced fission of²³³U using recoil catcher technique and direct gamma spectrometry. The angular distribution of 8 fission products were obtained. The angular anisotropies of asymmetric fission products were found to be higher than those of symmetric products indicating a correlation between the fragment angular distribution and the mass distribution.The authors are grateful to Dr. S.K. Kataria and Dr. T. Datta for fruitful discussions. We thank the operation crew of the variable energy cyclotron, Calcutta for their help in carrying out the irradiations. Thanks are due to Dr. P.R. Natarajan, Head of the Radiochemistry Division for his keen interest in the work.     

Observables in nuclear fragmentation

We study the method of moments correlations as a tool to discriminate between different fragmentation mechanisms. We show, using simple models, that the variance of the fragment distribution, the size of the heaviest residue and the scaling of these quantities with the size of the fragmenting system give significant insight into the nature of the fragmentation mechanism.Unité de Recherche des Universités Paris XI et Paris VI associée au CNRS     

A stable finite-difference scheme for the Boussinesq equation

Summary  An explicit discretization scheme for the Boussinesq equation is developed and its (pseudo-) convergence and stability are investigated. This scheme is used to study the soliton properties in the model described by the Boussinesq equation. The emergence of soliton excitations out of prescribed multisoliton and nonsoliton initial conditions is also shown numerically. This work was supported in part by the NSF through the Grant Nr. HRD-9450342. One of us (CAC) wishes to thank the MURST for the grant awarded for the cohoperation between the Politecnico di Torino and the University of Puerto Rico.     

Reordering kinetics of ion-disordered Ni Al

A study of the reordering kinetics of ion-irradiated Ni₃Al is presented. The development of long-range order during annealing treatments is measured by quantitative electron diffractometry. According to the temperature dependence of the observed kinetics, the reaction is dominated by non-equilibrium vacancies. As a consequence, the kinetics can be calibrated versus the absolute number of atomic jumps necessary to establish the observed degree of order. In order to analyse the experimental data, Monte Carlo simulations are performed. It is shown that, beside the temperature dependence of the driving force, the ordering efficiency of the vacancy jumps itself is temperature dependent due to different mobilities of the atomic species. Received 6 December 1999 and Received in final form 23 June 2000     

Analytical solution of 1D Ising-like systems modified by weak long range interaction

It is well-known that 1D systems with only nearest neighbour interaction exhibit no phase transition. It is shown that the presence of a small long range interaction treated by the mean field approximation in addition to strong nearest neighbour interaction gives rise to hysteresis curves of large width. This situation is believed to exist in spin crossover systems where by the deformation of the spin changing molecules, an elastic coupling leads to a long range interaction, and strong bonding between the molecules in a chain compound leads to large values for nearest neighbour interaction constants. For this interaction scheme an analytical solution has been derived and the interplay between these two types of interaction is discussed on the basis of experimental data of the chain compound which exhibits a very large hysteresis of 50 K above RT at 370 K. The width and shape of the hysteresis loop depend on the balance between long and short range interaction. For short range interaction energies much larger than the transition temperature the hysteresis width is determined by the long range interaction alone. Received 26 November 1998