Critical properties of the unconventional spin-Peierls system TiOBr

We have performed detailed x-ray scattering measurements on single crystals of the spin-Peierls compound TiOBr in order to study the critical properties of the transition between the incommensurate spin-Peierls state and the paramagnetic state at Tc2 ~ 48 K. We have determined a value of the critical exponent beta which is consistent with the conventional 3D universality classes, in contrast with earlier results reported for TiOBr and TiOCl. Using a simple power law fit function we demonstrate that the asymptotic critical regime in TiOBr is quite narrow, and obtain a value of beta_{asy} = 0.32 +/- 0.03 in the asymptotic limit. A power law fit function which includes the first order correction-to-scaling confluent singularity term can be used to account for data outside the asymptotic regime, yielding a more robust value of beta_{avg} = 0.39 +/- 0.05. We observe no evidence of commensurate fluctuations above Tc1 in TiOBr, unlike its isostructural sister compound TiOCl. In addition, we find that the incommensurate structure between Tc1 and Tc2 is shifted in Q-space relative to the commensurate structure below Tc1.Comment: 12 pages, 8 figures. Submitted to Physical Review

A "partitioned leaping" approach for multiscale modeling of chemical reaction dynamics

We present a novel multiscale simulation approach for modeling stochasticity in chemical reaction networks. The approach seamlessly integrates exact-stochastic and "leaping" methodologies into a single "partitioned leaping" algorithmic framework. The technique correctly accounts for stochastic noise at significantly reduced computational cost, requires the definition of only three model-independent parameters and is particularly well-suited for simulating systems containing widely disparate species populations. We present the theoretical foundations of partitioned leaping, discuss various options for its practical implementation and demonstrate the utility of the method via illustrative examples.Comment: v4: 12 pages, 5 figures, final accepted version. Error found and fixed in Appendi

Commensurate Fluctuations in the Pseudogap and Incommensurate spin-Peierls Phases of TiOCl

X-ray scattering measurements on single crystals of TiOCl reveal the presence of commensurate dimerization peaks within both the incommensurate spin-Peierls phase and the so-called pseudogap phase above T_c2. This scattering is relatively narrow in Q-space indicating long correlation lengths exceeding ~ 100 A below T* ~ 130 K. It is also slightly shifted in Q relative to that of the commensurate long range ordered state at the lowest temperatures, and it coexists with the incommensurate Bragg peaks below T_c2. The integrated scattering over both commensurate and incommensurate positions evolves continuously with decreasing temperature for all temperatures below T* ~ 130 K.Comment: To appear in Physical Review B: Rapid Communications. 5 page

Suppression of the commensurate spin-Peierls state in Sc-doped TiOCl

We have performed x-ray scattering measurements on single crystals of the doped spin-Peierls compound Ti(1-x)Sc(x)OCl (x = 0, 0.01, 0.03). These measurements reveal that the presence of non-magnetic dopants has a profound effect on the unconventional spin-Peierls behavior of this system, even at concentrations as low as 1%. Sc-doping suppresses commensurate fluctuations in the pseudogap and incommensurate spin-Peierls phases of TiOCl, and prevents the formation of a long-range ordered spin-Peierls state. Broad incommensurate scattering develops in the doped compounds near Tc2 ~ 93 K, and persists down to base temperature (~ 7 K) with no evidence of a lock-in transition. The width of the incommensurate dimerization peaks indicates short correlation lengths on the order of ~ 12 angstroms below Tc2. The intensity of the incommensurate scattering is significantly reduced at higher Sc concentrations, indicating that the size of the associated lattice displacement decreases rapidly as a function of doping.Comment: 7 pages, 5 figure

Legal liability of coaches: a UK perspective

Attracting more coaches is fundamental to achievement of the European dimension in sport and the further promotion of sport in the European Union. Given the emerging relationship between the law and sports coaching, recruitment of such volunteers may prove problematic. Accordingly, this article critically considers the legal liability of sports coaches. To inform this debate, the issue of negligent coaching is critically scrutinised from a UK perspective, uncovering a number of distinct legal vulnerabilities facing volunteer coaches. This includes the inherent limitations of ‘objective reasonableness’ when defining the standard of care required in the particular circumstances. More specifically, fuller analysis of the justification of customary practice, and the legal doctrine of in loco parentis, reveals important ramifications for all organisations providing training and support for coaches. In short, it is argued that proactively safeguarding coaches from professional liability should be a priority for national governing bodies, and, following the recently published EU Work Plan for Sport for 2014–2017, the Expert Group on Human Resource Management in Sport. Importantly, given the EU’s supporting, coordinating and supplementing competence in developing the European dimension in sport, a Commission funded project to address the implications of the ‘compensation culture’ in sport is also recommended

Singlet-Triplet Excitations in the Unconventional Spin-Peierls System TiOBr

We have performed time-of-flight neutron scattering measurements on powder samples of the unconventional spin-Peierls compound TiOBr using the fine-resolution Fermi chopper spectrometer (SEQUOIA) at the SNS. These measurements reveal two branches of magnetic excitations within the commensurate and incommensurate spin-Peierls phases, which we associate with n = 1 and n = 2 triplet excitations out of the singlet ground state. These measurements represent the first direct measure of the singlet-triplet energy gap in TiOBr, which is determined to be Eg = 21.2 +/- 1.0 meV.Comment: 5 pages, 4 figures, submitted for publicatio

Numerical Study of Inhomogeneous Pre-Big-Bang Inflationary Cosmology

We study numerically the inhomogeneous pre-big-bang inflation in a spherically symmetric space-time. We find that a large initial inhomogeneity suppresses the onset of the pre-big-bang inflation. We also find that even if the pre-big-bang inflationary stage is realized, the initial inhomogeneities are not homogenized. Namely, during the pre-big-bang inflation ``hairs''(irregularities) do not fall, in sharp contrast to the usual (potential energy dominated) inflation where initial inhomogeneity and anisotropy are damped and thus the resulting universe is less sensitive to initial conditions.Comment: 12 pages + 14 figures, to be published in Phys.Rev.

Asymptotic Behaviour of Inhomogeneous String Cosmologies

The asymptotic behaviour at late times of inhomogeneous axion-dilaton cosmologies is investigated. The space-times considered here admit two abelian space-like Killing vectors. These space-times evolve towards an anisotropic universe containing gravitational radiation. Furthermore, a peeling-off behaviour of the Weyl tensor and the antisymmetric tensor field strength is found. The relation to the pre-big-bang scenario is briefly discussed.Comment: 15 pages, Late