Mechanism of two-step vapour-crystal nucleation in a pore

We present a numerical study of the effect of hemispherical pores on the nucleation of Lennard–Jones crystals from the vapour phase. As predicted by Page and Sear, there is a narrow range of pore radii, where vapour–liquid nucleation can become a two-step process. A similar observation was made for different pore geometries by Giacomello et al. We find that the maximum nucleation rate depends on both the size and the adsorption strength of the pore. Moreover, a poe can be more effective than a planar wall with the same strength of attraction. Pore-induced vapour–liquid nucleation turns out to be the rate-limiting step for crystal nucleation. This implies that crystal nucleation can be enhanced by a judicious choice of the wetting properties of a microporous nucleating agent.The work of the FOM Institute is part of the research program of FOM and is made possible by financial support from the Netherlands Organisation for Scientific Research (NWO). DF acknowledges financial support from ERC Advanced Grant 227758 and from EPSRC Programme Grant EP/I001352/1).This is the final version of the article. It first appeared from Taylor & Francis via http://dx.doi.org/10.1080/00268976.2015.103184

Toxoplasma effectors targeting host signaling and transcription

Early electron microscopy studies revealed the elaborate cellular features that define the unique adaptations of apicomplexan parasites. Among these were bulbous rhoptry (ROP) organelles and small, dense granules (GRAs), both of which are secreted during invasion of host cells. These early morphological studies were followed by the exploration of the cellular contents of these secretory organelles, revealing them to be comprised of highly divergent protein families with few conserved domains or predicted functions. In parallel, studies on host-pathogen interactions identified many host signaling pathways that were mysteriously altered by infection. It was only with the advent of forward and reverse genetic strategies that the connections between individual parasite effectors and the specific host pathways that they targeted finally became clear. The current repertoire of parasite effectors includes ROP kinases and pseudokinases that are secreted during invasion and that block host immune pathways. Similarly, many secretory GRA proteins alter host gene expression by activating host transcription factors, through modification of chromatin, or by inducing small noncoding RNAs. These effectors highlight novel mechanisms by whichhas learned to harness host signaling to favor intracellular survival and will guide future studies designed to uncover the additional complexity of this intricate host-pathogen interaction

Mathieu twining characters for K3

The analogue of the McKay-Thompson series for the proposed Mathieu group action on the elliptic genus of K3 is analysed. The corresponding NS-sector twining characters have good modular properties and satisfy remarkable replication identities. These observations provide strong support for the conjecture that the elliptic genus of K3 carries indeed an action of the Mathieu group M24.Comment: 19 page

Entropy flow in near-critical quantum circuits

Near-critical quantum circuits are ideal physical systems for asymptotically large-scale quantum computers, because their low energy collective excitations evolve reversibly, effectively isolated from the environment. The design of reversible computers is constrained by the laws governing entropy flow within the computer. In near-critical quantum circuits, entropy flows as a locally conserved quantum current, obeying circuit laws analogous to the electric circuit laws. The quantum entropy current is just the energy current divided by the temperature. A quantum circuit made from a near-critical system (of conventional type) is described by a relativistic 1+1 dimensional relativistic quantum field theory on the circuit. The universal properties of the energy-momentum tensor constrain the entropy flow characteristics of the circuit components: the entropic conductivity of the quantum wires and the entropic admittance of the quantum circuit junctions. For example, near-critical quantum wires are always resistanceless inductors for entropy. A universal formula is derived for the entropic conductivity: \sigma_S(\omega)=iv^{2}S/\omega T, where \omega is the frequency, T the temperature, S the equilibrium entropy density and v the velocity of `light'. The thermal conductivity is Real(T\sigma_S(\omega))=\pi v^{2}S\delta(\omega). The thermal Drude weight is, universally, v^{2}S. This gives a way to measure the entropy density directly.Comment: 2005 paper published 2017 in Kadanoff memorial issue of J Stat Phys with revisions for clarity following referee's suggestions, arguments and results unchanged, cross-posting now to quant-ph, 27 page

The signalling channel of Central Bank interventions:modelling the Yen/US dollar exchange rate

This paper presents a theoretical framework analysing the signalling channel of exchange rate interventions as an informational trigger. We develop an implicit target zone framework with learning in order to model the signalling channel. The theoretical premise of the model is that interventions convey signals that communicate information about the exchange rate objectives of the central bank. The model is used to analyse the impact of Japanese FX interventions during the period 1999--2011 on the yen/US dollar dynamics

Heat Transport in low-dimensional systems

Recent results on theoretical studies of heat conduction in low-dimensional systems are presented. These studies are on simple, yet nontrivial, models. Most of these are classical systems, but some quantum-mechanical work is also reported. Much of the work has been on lattice models corresponding to phononic systems, and some on hard particle and hard disc systems. A recently developed approach, using generalized Langevin equations and phonon Green's functions, is explained and several applications to harmonic systems are given. For interacting systems, various analytic approaches based on the Green-Kubo formula are described, and their predictions are compared with the latest results from simulation. These results indicate that for momentum-conserving systems, transport is anomalous in one and two dimensions, and the thermal conductivity kappa, diverges with system size L, as kappa ~ L^alpha. For one dimensional interacting systems there is strong numerical evidence for a universal exponent alpha =1/3, but there is no exact proof for this so far. A brief discussion of some of the experiments on heat conduction in nanowires and nanotubes is also given.Comment: 78 pages, 25 figures, Review Article (revised version

Classical and quantum: a conflict of interest

We highlight three conflicts between quantum theory and classical general relativity, which make it implausible that a quantum theory of gravity can be arrived at by quantising classical gravity. These conflicts are: quantum nonlocality and space-time structure; the problem of time in quantum theory; and the quantum measurement problem. We explain how these three aspects bear on each other, and how they point towards an underlying noncommutative geometry of space-time.Comment: 15 pages. Published in `Gravity and the quantum' [Essays in honour of Thanu Padmanabhan on the occasion of his sixtieth birthday] Eds. Jasjeet Singh Bagla and Sunu Engineer (Springer, 2017

Atomic super-resolution tomography

We consider the problem of reconstructing a nanocrystal at atomic resolution from electron microscopy images taken at a few tilt angles. A popular reconstruction approach called discrete tomography confines the atom locations to a coarse spatial grid, which is inspired by the physical a priori knowledge that atoms in a crystalline solid tend to form regular lattices. Although this constraint has proven to be powerful for solving this very under-determined inverse problem in many cases, its key limitation is that, in practice, defects may occur that cause atoms to deviate from regular lattice positions. Here we propose a grid-free discrete tomography algorithm that allows for continuous deviations of the atom locations similar to super-resolution approaches for microscopy. The new formulation allows us to define atomic interaction potentials explicitly, which results in a both meaningful and powerful incorporation of the available physical a priori knowledge about the crystal's properties. In computational experiments, we compare the proposed grid-free method to established grid-based approaches and show that our approach can indeed recover the atom positions more accurately for common lattice defects

On soft singularities at three loops and beyond

We report on further progress in understanding soft singularities of massless gauge theory scattering amplitudes. Recently, a set of equations was derived based on Sudakov factorization, constraining the soft anomalous dimension matrix of multi-leg scattering amplitudes to any loop order, and relating it to the cusp anomalous dimension. The minimal solution to these equations was shown to be a sum over color dipoles. Here we explore potential contributions to the soft anomalous dimension that go beyond the sum-over-dipoles formula. Such contributions are constrained by factorization and invariance under rescaling of parton momenta to be functions of conformally invariant cross ratios. Therefore, they must correlate the color and kinematic degrees of freedom of at least four hard partons, corresponding to gluon webs that connect four eikonal lines, which first appear at three loops. We analyze potential contributions, combining all available constraints, including Bose symmetry, the expected degree of transcendentality, and the singularity structure in the limit where two hard partons become collinear. We find that if the kinematic dependence is solely through products of logarithms of cross ratios, then at three loops there is a unique function that is consistent with all available constraints. If polylogarithms are allowed to appear as well, then at least two additional structures are consistent with the available constraints.Comment: v2: revised version published in JHEP (minor corrections in Sec. 4; added discussion in Sec. 5.3; refs. added); v3: minor corrections (eqs. 5.11, 5.12 and 5.29); 38 pages, 3 figure

Developing and evaluating the implementation of a complex intervention: using mixed methods to inform the design of a randomised controlled trial of an oral healthcare intervention after stroke

<p>Abstract</p> <p>Background</p> <p>Many interventions delivered within the stroke rehabilitation setting could be considered complex, though some are more complex than others. The degree of complexity might be based on the number of and interactions between levels, components and actions targeted within the intervention. The number of (and variation within) participant groups and the contexts in which it is delivered might also reflect the extent of complexity. Similarly, designing the evaluation of a complex intervention can be challenging. Considerations include the necessity for intervention standardisation, the multiplicity of outcome measures employed to capture the impact of a multifaceted intervention and the delivery of the intervention across different clinical settings operating within varying healthcare contexts. Our aim was to develop and evaluate the implementation of a complex, multidimensional oral health care (OHC) intervention for people in stroke rehabilitation settings which would inform the development of a randomised controlled trial.</p> <p>Methods</p> <p>After reviewing the evidence for the provision of OHC following stroke, multi-disciplinary experts informed the development of our intervention. Using both quantitative and qualitative methods we evaluated the implementation of the complex OHC intervention across patients, staff and service levels of care. We also adopted a pragmatic approach to patient recruitment, the completion of assessment tools and delivery of OHC, alongside an attention to the context in which it was delivered.</p> <p>Results</p> <p>We demonstrated the feasibility of implementing a complex OHC intervention across three levels of care. The complementary nature of the mixed methods approach to data gathering provided a complete picture of the implementation of the intervention and a detailed understanding of the variations within and interactions between the components of the intervention. Information on the feasibility of the outcome measures used to capture impact across a range of components was also collected, though some process orientated uncertainties including eligibility and recruitment rates remain to be further explored within a Phase II exploratory trial.</p> <p>Conclusions</p> <p>Complex interventions can be captured and described in a manner which facilitates evaluation in the form of exploratory and subsequently definitive clinical trials. If effective, the evidence captured relating to the intervention context will facilitate translation into clinical practice.</p