2 papers
cond-mat.soft2026
Material and thermal properties of MgCl2 molten salt by ab initio and machine-learning molecular-dynamics simulations
Roberto Llovera, María Andrea Barral, Verónica Vildosola +2
We study the structural, thermophysical and dynamical properties of molten MgCl2 over a wide temperature range using Ab Initio Molecular Dynamics (AIMD) and molecular dynamics simu…
cond-mat.soft2026
Soft thermal diodes: grafted polymers provide a highly tunable thermal rectification
Claudio Pastorino, Alejandro Monastra, Florencia Carusela
We explore the heat-rectification properties of a two-phase fluid confined in a nano-chamber with one wall coated with end-grafted polymers using molecular-dynamics simulations. We…