Inexpensive discrete atomistic model technique for studying excitations on infinite disordered media: The case of orientational glass ArN2 |
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Authors: | V F González‐Albuixech A Gaita‐Ariño |
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Affiliation: | Paul Scherrer Institut. 5232 Villigen PSI, Switzerland |
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Abstract: | Excitations of disordered systems such as glasses are of fundamental and practical interest but computationally very expensive to solve. Here, we introduce a technique for modeling these excitations in an infinite disordered medium with a reasonable computational cost. The technique relies on a discrete atomic model to simulate the low‐energy behavior of an atomic lattice with molecular impurities. The interaction between different atoms is approximated using a spring‐like interaction based on the Lennard‐Jones potential, but the method can be easily adapted to other potentials. The technique allows to solve a statistically representative number of samples with low computational expense and uses a Monte Carlo approach to achieve a state corresponding to any given temperature. This technique has already been applied successfully to a problem with interest in condensed matter physics: the solid solution of N2 in Ar. Copyright © 2015 John Wiley & Sons, Ltd. |
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Keywords: | glasses low temperature atomic modeling Ar:N2 two‐level systems disordered lattices universality |
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