Activated sampling in complex materials at finite temperature: the properly-obeying-probability activation-relaxation technique

While the dynamics of many complex systems is dominated by activated events, there are very few simulation methods that take advantage of this fact. Most of these procedures are restricted to relatively simple systems or, as with the activation-relaxation technique (ART), sample the conformation space efficiently at the cost of a correct thermodynamical description. We present here an extension of ART, the properly-obeying-probability ART (POP-ART), that obeys detailed balance and samples correctly the thermodynamic ensemble. Testing POP-ART on two model systems, a vacancy and an interstitial in crystalline silicon, we show that this method recovers the proper thermodynamical weights associated with the various accessible states and is significantly faster than MD in the diffusion of a vacancy below 700 K.Comment: 10 pages, 3 figure

Interplay between shear loading and structural aging in a physical gel

We show that the aging of the mechanical relaxation of a gelatin gel exhibits the same scaling phenomenology as polymer and colloidal glasses. Besides, gelatin is known to exhibit logarithmic structural aging (stiffening). We find that stress accelerates this process. However, this effect is definitely irreducible to a mere age shift with respect to natural aging. We suggest that it is interpretable in terms of elastically-aided elementary (coil$\to$helix) local events whose dynamics gradually slows down as aging increases geometric frustration

Interaction between static holes in a quantum dimer model on the kagome lattice

A quantum dimer model (QDM) on the kagome lattice with an extensive ground-state entropy was recently introduced [Phys. Rev. B 67, 214413 (2003)]. The ground-state energy of this QDM in presence of one and two static holes is investigated by means of exact diagonalizations on lattices containing up to 144 kagome sites. The interaction energy between the holes (at distances up to 7 lattice spacings) is evaluated and the results show no indication of confinement at large hole separations.Comment: 6 pages, 3 figures. IOP style files included. To appear in J. Phys.: Condens. Matter, Proceedings of the HFM2003 conference, Grenobl

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Aging yields a smaller number of fixations and a reduced gaze amplitude when driving in a simulator

With the increasing number of elderly drivers, it is important to better understand if strategies for capturing visual information are affected by age and by the complexity of the driving contexts. Ten young (aged 21-31 years) and older (aged 65-75 years) active drivers drove through a continuous simulated scenario (STISIM, v2.0). The scenario included drinving on open roads (less demanding), stopping at intersections and passing maneuvers (more demanding). Eye movements were recorded with an oculometer (ASL, model 510). Compared to younger drivers, older drivers showed a smaller horizontal amplitude between fixations and a smaller variance in the amplitude of the eye movements. They also showed a smaller number of fixations/sec for the more complex driving maneuvers that were analyzed (passing maneuvers). Overall, this may reveal a "tunnel effect" (or perceptual narrowing) phenomenon when the driving context increases in complexity

First- and second-order transitions of the escape rate in ferrimagnetic or antiferromagnetic particles

Quantum-classical escape-rate transition has been studied for two general forms of magnetic anisotropy in ferrimagnetic or antiferromagnetic particles. It is found that the range of the first-order transition is greatly reduced as the system becomes ferrimagnetic and there is no first-order transition in almost compensated antiferromagnetic particles. These features can be tested experimentally in nanomagnets like molecular magnets.Comment: 11 pages, 3 figures, to appear in Europhys. Let

Electronic and Magnetic Structure of LaCuO2.5_{2.5}

The recently-discovered ``ladder'' compound LaCuO$_{2.5}$ has been found to admit hole doping without altering its structure of coupled copper oxide ladders. While susceptibility measurements on the parent compound suggest a spin gap and a spin-liquid state, NMR results indicate magnetic order at low temperatures. These seemingly contradictory results may be reconciled if in fact the magnetic state is near the crossover from spin liquid to antiferromagnet, and we investigate this possibility. From a tight-binding fit to the valence LDA bandstructure, we deduce that the strength of the interladder hopping term is approximately half that of intraladder hopping, showing that the material is three-dimensional in character. A mean-field treatment of the insulating magnetic state gives a spin-liquid phase whose spin gap decreases with increasing interladder coupling, vanishing (signalling a transition to the ordered phase) at a value somewhat below that obtained for LaCuO$_{2.5}$. The introduction of an on-site repulsion term, $U$, to the band scheme causes a transition to an antiferromagnetic insulator for rather small but finite values of $U$, reflecting the predominance of (one-dimensional) ladder behavior, and an absence of any special nesting features.Comment: 8 pages + 5 figure

Acoustic emission monitoring of wet H2S cracking of linepipe steels: Application to hydrogen-induced cracking and stress-oriented hydrogen-induced cracking

cited By 9International audienceAcoustic emission (AE) was used for monitoring steel cracking during exposure to wet hydrogen sulfide (H2S) environments. A method for filtering AE data related to hydrogen-induced cracking (HIC) was presented and applied for several case studies. In a series of tests on unstressed sweet service steels, evolution of AE indicated three successive HIC phases. An initial incubation period corresponded to hydrogen entry in the steel, during which no cracking occurred. Then two cracking phases were detected. The first was associated with decohesion of weak steel interphases. The second was identified as crack propagation under high internal hydrogen pressure. Crack propagation decreased and eventually ceased over time. Analysis of AE data was then used to evaluate the extent of HIC after sour exposure. Correlation was found when appropriate data filtering was applied. AE analysis was also applied to sour service steels under an applied load. The first steel exhibited HIC AE signals. Its fracture surface was typical of a stress-oriented hydrogen-induced cracking (SOHIC) mode of failure, in good agreement with AE results. For the second steel, which also failed during the test, no AE related to HIC was detected. Fracture surface was typical of sulfide stress cracking (SSC), also in good agreement with AE findings. © 2011, NACE International

Contribution of acoustic emission to the understanding of sulfide stress cracking of low alloy steels

cited By 17International audienceThe acoustic emission technique was applied to standard tests devoted to evaluate sulfide stress cracking susceptibility of steels for oil and gas industry. The mapping of the density of AE signals vs. their location on the specimen gauge length as a function of time allowed early detection of cracking, and gave meaningful information on incubation times and propagation rates. Sulfide stress cracking initiation was correlated with the presence of critical surface defects. A mechanism involving plastic strain and/or metal dissolution was proposed to account for crack propagation. © 2011 Elsevier Ltd

Novel approach to description of spin liquid phases in low-dimensional quantum antiferromagnets

We consider quantum spin systems with dimerization, which at strong coupling have singlet ground states. To account for strong correlations, the excitations are described as dilute Bose gas of degenerate triplets with infinite on-site repulsion. This approach is applied to the two-layer Heisenberg model at zero temperature with general couplings. Our analytic results for the triplet gap, the excitation spectrum and the location of the quantum critical point are in excellent agreement with numerical results, obtained by dimer series expansions.Comment: 4 pages, REVTex, 3 Postscript figure