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Quantum symmetry

2020, Caspers, Martijn

The symmetry of objects plays a crucial role in many branches of mathematics and physics. It allowed, for example, the early prediction of the existence of new small particles. “Quantum symmetry” concerns a generalized notion of symmetry. It is an abstract way of characterizing the symmetry of a much richer class of mathematical and physical objects. In this snapshot we explain how quantum symmetry emerges as matrix symmetries using a famous example: Mermin’s magic square. It shows that quantum symmetries can solve problems that lie beyond the reach of classical symmetries, showing that quantum symmetries play a central role in modern mathematics.

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Fast reaction limits via $Gamma$-convergence of the flux rate functional

2020, Peletier, Mark A., Renger, D. R. Michiel

We study the convergence of a sequence of evolution equations for measures supported on the nodes of a graph. The evolution equations themselves can be interpreted as the forward Kolmogorov equations of Markov jump processes, or equivalently as the equations for the concentrations in a network of linear reactions. The jump rates or reaction rates are divided in two classes; `slow' rates are constant, and `fast' rates are scaled as 1/∈, and we prove the convergence in the fast-reaction limit ∈ → 0. We establish a Γ-convergence result for the rate functional in terms of both the concentration at each node and the flux over each edge (the level-2.5 rate function). The limiting system is again described by a functional, and characterizes both fast and slow fluxes in the system. This method of proof has three advantages. First, no condition of detailed balance is required. Secondly, the formulation in terms of concentration and flux leads to a short and simple proof of the Γ-convergence; the price to pay is a more involved compactness proof. Finally, the method of proof deals with approximate solutions, for which the functional is not zero but small, without any changes.

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Existence of solutions of a finite element flux-corrected-transport scheme

2020, John, Volker, Knobloch, Petr

The existence of a solution is proved for a nonlinear finite element flux-corrected-transport (FEM-FCT) scheme with arbitrary time steps for evolutionary convection-diffusion-reaction equations and transport equations.

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Distributed optimization with quantization for computing Wasserstein barycenters

2020, Krawchenko, Roman, Uribe, César A., Gasnikov, Alexander, Dvurechensky, Pavel

We study the problem of the decentralized computation of entropy-regularized semi-discrete Wasserstein barycenters over a network. Building upon recent primal-dual approaches, we propose a sampling gradient quantization scheme that allows efficient communication and computation of approximate barycenters where the factor distributions are stored distributedly on arbitrary networks. The communication and algorithmic complexity of the proposed algorithm are shown, with explicit dependency on the size of the support, the number of distributions, and the desired accuracy. Numerical results validate our algorithmic analysis.

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Determinacy versus indeterminacy

2020, Berg, Christian

Can a continuous function on an interval be uniquely determined if we know all the integrals of the function against the natural powers of the variable? Following Weierstrass and Stieltjes, we show that the answer is yes if the interval is finite, and no if the interval is infinite.

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Analysis of a quasi-variational contact problem arising in thermoelasticity

2020, Alphonse, Amal, Rautenberg, Carlos N., Rodrigues, José Francisco

We formulate and study two mathematical models of a thermoforming process involving a membrane and a mould as implicit obstacle problems. In particular, the membrane-mould coupling is determined by the thermal displacement of the mould that depends in turn on the membrane through the contact region. The two models considered are a stationary (or elliptic) model and an evolutionary (or quasistatic) one. For the first model, we prove the existence of weak solutions by solving an elliptic quasi-variational inequality coupled to elliptic equations. By exploring the fine properties of the variation of the contact set under non-degenerate data, we give sufficient conditions for the existence of regular solutions, and under certain contraction conditions, also a uniqueness result. We apply these results to a series of semi-discretised problems that arise as approximations of regular solutions for the evolutionary or quasistatic problem. Here, under certain conditions, we are able to prove existence for the evolutionary problem and for a special case, also the uniqueness of time-dependent solutions.

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Essential enhancements in Abelian networks: Continuity and uniform strict monotonicity

2020, Taggi, Lorenzo

We prove that in wide generality the critical curve of the activated random walk model is a continuous function of the deactivation rate, and we provide a bound on its slope which is uniform with respect to the choice of the graph. Moreover, we derive strict monotonicity properties for the probability of a wide class of `increasing' events, extending previous results of Rolla and Sidoravicius (2012). Our proof method is of independent interest and can be viewed as a reformulation of the `essential enhancements' technique -- which was introduced for percolation -- in the framework of Abelian networks.

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Numerical analysis for nematic electrolytes

2020, Baňas, L'ubomír, Lasarzik, Robert, Prohl, Andreas

We consider a system of nonlinear PDEs modeling nematic electrolytes, and construct a dissipative solution with the help of its implementable, structure-inheriting space-time discretization. Computational studies are performed to study the mutual effects of electric, elastic, and viscous effects onto the molecules in a nematic electrolyte.

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Multiband k $cdot$ p model and fitting scheme for ab initio-based electronic structure parameters for wurtzite GaAs

2020, Marquardt, Oliver, Caro, Miguel A., Koprucki, Thomas, Mathé, Peter, Willatzen, Morten

We develop a 16-band k · p model for the description of wurtzite GaAs, together with a novel scheme to determine electronic structure parameters for multiband k · p models. Our approach uses low-discrepancy sequences to fit k · p band structures beyond the eight-band scheme to most recent ab initio data, obtained within the framework for hybrid-functional density functional theory with a screened-exchange hybrid functional. We report structural parameters, elastic constants, band structures along high-symmetry lines, and deformation potentials at the Γ point. Based on this, we compute the bulk electronic properties (Γ point energies, effective masses, Luttinger-like parameters, and optical matrix parameters) for a ten-band and a sixteen-band k · p model for wurtzite GaAs. Our fitting scheme can assign priorities to both selected bands and k points that are of particular interest for specific applications. Finally, ellipticity conditions can be taken into account within our fitting scheme in order to make the resulting parameter sets robust against spurious solutions.

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Distribution of cracks in a chain of atoms at low temperature

2020, Jansen, Sabine, König, Wolfgang, Schmidt, Bernd, Theil, Florian

We consider a one-dimensional classical many-body system with interaction potential of Lennard--Jones type in the thermodynamic limit at low temperature 1/β ∈ (0, ∞). The ground state is a periodic lattice. We show that when the density is strictly smaller than the density of the ground state lattice, the system with N particles fills space by alternating approximately crystalline domains (clusters) with empty domains (voids) due to cracked bonds. The number of domains is of the order of N exp(-β e surf /2) with e surf > 0 a surface energy.