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    Distribution of Cracks in a Chain of Atoms at Low Temperature
    (Cham (ZG) : Springer International Publishing AG, 2021) 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 Nexp(−βesurf/2) with esurf>0 a surface energy. For the proof, the system is mapped to an effective model, which is a low-density lattice gas of defects. The results require conditions on the interactions between defects. We succeed in verifying these conditions for next-nearest neighbor interactions, applying recently derived uniform estimates of correlations.
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    Surface Energy and Boundary Layers for a Chain of Atoms at Low Temperature
    (Berlin ; Heidelberg : Springer, 2021) Jansen, Sabine; König, Wolfgang; Schmidt, Bernd; Theil, Florian
    We analyze the surface energy and boundary layers for a chain of atoms at low temperature for an interaction potential of Lennard–Jones type. The pressure (stress) is assumed to be small but positive and bounded away from zero, while the temperature β- 1 goes to zero. Our main results are: (1) As β→ ∞ at fixed positive pressure p> 0 , the Gibbs measures μβ and νβ for infinite chains and semi-infinite chains satisfy path large deviations principles. The rate functions are bulk and surface energy functionals E¯ bulk and E¯ surf. The minimizer of the surface functional corresponds to zero temperature boundary layers; (2) The surface correction to the Gibbs free energy converges to the zero temperature surface energy, characterized with the help of the minimum of E¯ surf; (3) The bulk Gibbs measure and Gibbs free energy can be approximated by their Gaussian counterparts; (4) Bounds on the decay of correlations are provided, some of them uniform in β. © 2020, The Author(s).