L3

Recent experimental work has determined the atomic structure of a quasicrystalline Cd-Yb alloy. It highlights the elegant role of polyhedra with icosahedral symmetry. Other work suggests that while chunks of periodic crystals and disordered glass predominate in the solid state, there are many hints of icosahedral clusters. This talk is based on a recent Mathematical Intelligencer article on quasicrystals with Marjorie Senechal.

The seminar will be followed by a drinks reception and forms part of a longer PDE and CoV related Workshop.

To register for the seminar and drinks reception go to http://doodle.com/acw6bbsp9dt5bcwb

In elasticity theory, one naturally requires that the Jacobian determinant of the deformation is positive or even a-priori prescribed (for example incompressibility). However, such strongly non-linear and non-convex constraints are difficult to deal with in mathematical models. In this talk, which is based on joint work with K. Koumatos (Oxford) and E. Wiedemann (UBC/PIMS), I will present various recent results on how this constraint can be manipulated in subcritical Sobolev spaces, where the integrability exponent is less than the dimension.

In particular, I will give a characterization theorem for Young measures under this side constraint, which are widely used in the Calculus of Variations to model limits of nonlinear functions of weakly converging "generating" sequences. This is in the spirit of the celebrated Kinderlehrer--Pedregal Theorem and based on convex integration and "geometry" in matrix space.

Finally, applications to the minimization of integral functionals, the theory of semiconvex hulls, incompressible extensions, and approximation of weakly orientation-preserving maps by strictly orientation-preserving ones in Sobolev spaces are given.

Attempting to extend the methods of critical point theory (e.g., those of Morse theory and Lusternik-Schnirelman theory) to the study of strong local minimizers of integral functionals of the calculus of variations I will describe how the obstruction method of algebraic topology can be successfully used to tackle the enumeration problem for various homotopy classes of maps in Sobolev spaces and that how this will result in precise lower bounds on the number of such local minimizers in terms of convenient topological invariants of the underlying spaces. I will then move on to dicussing variants as well as applications of the result to some classes of geometric nonlinear PDEs in particular problems in nonlinear elasticity.

In the theory of dislocations one is naturally led to consider energies of “line tension” type concentrated on lines. These lines may have a local vector-valued multiplicity, and the energy may depend on this multiplicity and on the orientation of the line. In the two-dimensional case this problem reduces to the classical problem of energies defined on partitions which arises in the sharp-interface models for phase transitions. 

I will introduce the main results concerning functionals in the calculus of variations that are defined on partitions. Such partitions are nicely characterized as level sets of function with bounded variations with a discrete set of values.  In this setting I will recall the characterization of the lower semicontinuity and the relaxation formula, which gives rise to the notion of BV-ellipticity. The case of dislocations in a three-dimensional crystal requires a formulation in the setting of 1-rectifiable currents with multiplicity in a lattice. In this context I will describe the main results and some examples of interest, in which relaxation is necessary and can be characterized.

One of the things sustainability applications have in common with industrial applications is their close connection with decision-making and policy. We will discuss how a decision-support viewpoint may inspire new mathematical questions. For example, the concept of resilience (of ecosystems, food systems, communities, economies, etc) is often described as the capacity of a system to withstand disturbance and retain its functional characteristics. This has several familiar mathematical interpretations, probing the interaction between transient dynamics and noise. How does a focus on resilience change the modeling, dynamical and policy questions we ask? I look forward to your ideas and discussion.

The talk is on impacts, penetrations and lift-offs involving bodies and fluids, with applications that range from aircraft and ship safety and our tiny everyday scales of splashing and washing, up to surface movements on Mars. Several studies over recent years have addressed different aspects of air-water effects and fluid-body interplay theoretically. Nonlinear interactions and evolutions are key here and these are to be considered in the presentation. Connections with experiments will also be described.

Molecular modelling has become a valuable tool and is increasingly part of the standard methodology of chemistry, physics, engineering and biology. The power of molecular modelling lies in its versatility: as potential energy functions improve, a broader range of more complex phenomena become accessible to simulation, but much of the underlying methodology can be re-used. For example, the Verlet method is still the most popular molecular dynamics scheme for constant energy molecular dynamics simulations despite it being one of the first to be proposed for the purpose.

One of the most important challenges in molecular modelling remains the computation of averages with respect to the canonical Gibbs (constant temperature) distribution, for which the Verlet method is not appropriate. Whereas constant energy molecular dynamics prescribes a set of equations (Newton's equations), there are many alternatives for canonical sampling with quite different properties. The challenge is therefore to identify formulations and numerical methods that are robust and maximally efficient in the computational setting.

One of the simplest and most effective methods for sampling is based on Langevin dynamics which mimics coupling to a heat bath by the incorporation of random forces and an associated dissipative term. Schemes for Langevin dynamics simulation may be developed based on the familiar principle of splitting. I will show that the invariant measure ('long term') approximation may be strongly affected by a simple re-ordering of the terms of the splitting. I will describe a transition in weak numerical order of accuracy that occurs (in one case) in the t->infty limit.

I will also entertain some more radical suggestions for canonical sampling, including stochastic isokinetic methods that enable the use of greatly enlarged timesteps for expensive but slowly-varying force field components.

Several experimental studies have shown that the abundance distributions of proteins in a population of isogenic cells may display multiple distinct maxima. Each of these maxima may be associated with a subpopulation of a particular phenotype, the quantification of which is important for understanding cellular decision-making. I will present a novel methodology which allows us to quantify multi-modal gene expression distributions and single cell power spectra in gene regulatory networks. The method is based on an extension of the linear noise approximation; in particular we rigorously show that, in the limit of slow promoter dynamics, these distributions can be systematically approximated as a mixture of Gaussian components. The resulting closed-form approximation provides a practical tool for studying complex nonlinear gene regulatory networks that have thus far been amenable only to stochastic simulation. I will demonstrate the applicability of our approach to several examples and discuss some new dynamical characteristics e.g., how the interplay of transcriptional and translational regulation can be exploited to control the multimodality of gene expression distributions in two-promoter networks and how genetic oscillators can display concerted noise-induced bimodality and noise-induced oscillations.

In Parkinson’s disease, increased power of oscillations in firing rate has been observed throughout the cortico-basal-ganglia circuit. In

particular, the excessive oscillations in the beta range (13-30Hz) have been shown to be associated with difficulty of movement initiation. However, on the basis of experimental data alone it is difficult to determine where these oscillations are generated, due to complex and recurrent structure of the cortico-basal-ganglia-thalamic circuit. This talk will describe a mathematical model of a subset of basal-ganglia that is able to reproduce experimentally observed patterns of activity. The analysis of the model suggests where and under which conditions the beta oscillations are produced.

Nesetril and Ossona de Mendez introduced a new notion of convergence of graphs called FO convergence. This notion can be viewed as a unified notion of convergence of dense and sparse graphs. In particular, every FO convergent sequence of graphs is convergent in the sense of left convergence of dense graphs as studied by Borgs, Chayes, Lovasz, Sos, Szegedy, Vesztergombi and others, and every FO convergent sequence of graphs with bounded maximum degree is convergent in the Benjamini-Schramm sense.

FO convergent sequences of graphs can be associated with a limit object called modeling. Nesetril and Ossona de Mendez showed that every FO convergent sequence of trees with bounded depth has a modeling. We extend this result

to all FO convergent sequences of trees and discuss possibilities for further extensions.

The talk is based on a joint work with Martin Kupec and Vojtech Tuma.