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On the Thermal Conductivity and Local Lattice Dynamical Properties of NASICON Solid Electrolytes
The recent development of solid-state batteries brings them closer to commercialization and
raises the need for heat management. The NASICON material class (Na1+ x Zr2P x Si3–x …
raises the need for heat management. The NASICON material class (Na1+ x Zr2P x Si3–x …
Impact of classical statistics on thermal conductivity predictions of BAs and diamond using machine learning molecular dynamics
Machine learning interatomic potentials (MLIPs) have greatly enhanced molecular dynamics
(MD) simulations, achieving near-first-principles accuracy in thermal conductivity studies. In …
(MD) simulations, achieving near-first-principles accuracy in thermal conductivity studies. In …
Heat transport in crystalline organic semiconductors: coexistence of phonon propagation and tunneling
Understanding heat transport in organic semiconductors is of fundamental and practical
relevance. Therefore, we study the lattice thermal conductivities of a series of (oligo) acenes …
relevance. Therefore, we study the lattice thermal conductivities of a series of (oligo) acenes …
[PDF][PDF] DC 20052, USA
Molecular dynamics (MD) simulations play an important role in understanding and
engineering heat transport properties of complex materials. An essential requirement for …
engineering heat transport properties of complex materials. An essential requirement for …