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Thermal conductance of superlattice junctions
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45. Disorder at the interface is introduced in this fashion: atoms within a thin film of Type 1 (Type 2) immediately adjacent to an interface have a probability p of being Type 2 (Type 1). No comparisons to the thermal circuit model are made for the disordered cases.
46. The conventional unit cell lattice constants of LJ argon at 5, 10, and 15 K are 5.280 Å, 5.289 Å, and 5.303 Å. These values are interpolated from data presented in Ref. 37.
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We use molecular dynamics simulations and the lattice-based scattering boundary method to compute the thermal conductance of finite-length Lennard-Jones superlattice
junctions confined by bulk crystalline leads. The superlattice
junction thermal conductance depends on the properties of the leads. For junctions with a superlattice period of four atomic monolayers at temperatures between 5 and 20 K, those with mass-mismatched leads have a greater thermal conductance than those with mass-matched leads. We attribute this lead effect to interference between and the ballistic transport of emergent junction vibrational modes. The lead effect diminishes when the temperature is increased, when the superlattice period is increased, and when interfacial disorder is introduced, but is reversed in the harmonic limit.
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