Predicting the thermal conductivity of glasses from first principles has hitherto been a very
complex problem. The established Allen-Feldman and Green-Kubo approaches employ …

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 …

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 …

Thermal and other transport coefficients were recently shown to be largely independent of
the microscopic representation of the energy (current) densities or, more generally, of the …

The anharmonicity of thermal transport in amorphous solids is underappreciated and
inadequately understood, although considerable attention is paid to that of crystals. Herein …

Predicting the thermal conductivity of glasses from first principles has hitherto been a
prohibitively complex problem. In fact, past works have highlighted challenges in achieving …

Transport coefficients relate the off-equilibrium flow of locally conserved quantities, such as
charge, energy, and momentum, to gradients of intensive thermodynamic variables in the …

Crystals and glasses exhibit fundamentally different heat conduction mechanisms: the
periodicity of crystals allows for the excitation of propagating vibrational waves that carry …

Thermal conductivity is a fundamental property for describing the non-equilibrium
phenomenon of thermal transport. In solid insulators, whether disordered or crystalline, heat …

Computer simulations of molecules and materials are an indispensable tool for physics,
chemistry, and materials science. A wide range of methods are available for this task: On …