I want to know if there is any model by which we can predict the effect of lattice defects/ impurities/ nano inclusions/ dislocations on thermal conducitvity?
there are a few codes like BoltzTrap which implement Boltzman transport Equation.
this code can be used in conjunction with some DFT packages (VASP, Wien2k, SIESTA, AB-INIT and QuantumEspresso)
http://www.icams.de/content/departments/ams/madsen/boltztrap.html
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