36 citations · 96 across the 9 of their papers we have counts for
9 papers
Effects of colored disorder on the heat conductivity of SiGe alloys from first principles
Alfredo Fiorentino, Paolo Pegolo, Stefano Baroni +1
Semiconducting alloys, in particular SiGe, have been employed for several decades as high-temperature thermoelectric materials. Devising strategies to reduce their thermal conducti…
Thermal transport of glasses via machine learning driven simulations
Paolo Pegolo, Federico Grasselli
Accessing the thermal transport properties of glasses is a major issue for the design of production strategies of glass industry, as well as for the plethora of applications and de…
Seebeck coefficient of ionic conductors from Bayesian regression analysis
Enrico Drigo, Stefano Baroni, Paolo Pegolo
We propose a novel approach to evaluating the ionic Seebeck coefficient in electrolytes from relatively short equilibrium molecular dynamics simulations, based on the Green-Kubo th…
Unearthing the foundational role of anharmonicity in heat transport in glasses
Alfredo Fiorentino, Enrico Drigo, Stefano Baroni +1
The time-honored Allen-Feldman theory of heat transport in glasses is generally assumed to predict a finite value for the thermal conductivity, even if it neglects the anharmonic b…
Self-interaction and transport of solvated electrons in molten salts
Paolo Pegolo, Stefano Baroni, Federico Grasselli
The dynamics of (few) electrons dissolved in an ionic fluid--as when a small amount of metal is added to a solution while upholding its electronic insulation--manifests interesting…
Hydrodynamic finite-size scaling of the thermal conductivity in glasses
Alfredo Fiorentino, Paolo Pegolo, Stefano Baroni
In the past few years, the theory of thermal transport in amorphous solids has been substantially extended beyond the Allen-Feldman model. The resulting formulation, based on the G…
Topology, oxidation states, and charge transport in ionic conductors
Paolo Pegolo, Stefano Baroni, Federico Grasselli
Recent theoretical advances, based on a combination of concepts from Thouless' topological theory of adiabatic charge transport and a newly introduced gauge-invariance principle fo…
Temperature- and vacancy-concentration-dependence of heat transport in LiClO from multi-method numerical simulations
Paolo Pegolo, Stefano Baroni, Federico Grasselli
Despite governing heat management in any realistic device, the microscopic mechanisms of heat transport in all-solid-state electrolytes are poorly known: existing calculations, all…
Oxidation states, Thouless' pumps, and non-trivial ionic transport in non-stoichiometric electrolytes
Paolo Pegolo, Federico Grasselli, Stefano Baroni
Thouless' quantization of adiabatic particle transport permits to associate an integer topological charge with each atom of an electronically gapped material. If these charges are…