Computation of the solid-liquid interfacial free energy in hard spheres by means of thermodynamic integration.
basic_science · Level V
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- Record sourced from PubMed, PMID 33212611.
- Also identified by DOI 10.1103/PhysRevE.102.042123.
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Abstract
We used a thermodynamic integration scheme, which is specifically designed for disordered systems, to compute the interfacial free energy of the solid-liquid interface in the hard-sphere model. We separated the bulk contribution to the total free energy from the interface contribution, performed a finite-size scaling analysis, and obtained for the (100)-interface γ=0.591(11)k_{B}Tσ^{-2}.