Physics

Exponential function

Distribution function

Work (physics)

Maximization

Mathematics

Evolutionary biology

Biology

Conductance

Statistics

Mathematical optimization

Distribution (mathematics)

Mathematical analysis

Thermal resistance

Function (biology)

Composite material

Materials science

Thermal

Phonon

Condensed matter physics

Exponential distribution

Thermal conductivity

Thermodynamics

Physical review. B./Physical review. B

Tuning interfacial thermal conductance has been a key task for the thermal management of nanoelectronic devices. Here, it is studied how the interfacial thermal conductance is great influenced by modulating the mass distribution of the interlayer of one-dimensional atomic chain. By nonequilibrium Green's function and machine learning algorithm, the maximum/minimum value of thermal conductance and its corresponding mass distribution are calculated. Interestingly, the mass distribution corresponding to the maximum thermal conductance is not a simple function, such as linear and exponential distribution predicted in previous works, it is similar to a sinusoidal curve around linear distribution for larger thickness interlayer. Further, the mechanism of the abnormal results is explained by analyzing the phonon transmission spectra and density of states. The work provides deep insight into optimizing and designing interfacial thermal conductance by modulating mass distribution of interlayer atoms.

Maximization and minimization of interfacial thermal conductance by modulating the mass distribution of the interlayer