A combined theoretical and experimental study of the vibrational and thermal-transport properties of partially liquid-like crystalline solids

Dr Chen, Yue   (Principal Investigator (PI))

36

2018-01-01

443950

A combined theoretical and experimental study of the vibrational and thermal-transport properties of partially liquid-like crystalline solids

Alloys and compounds, Density functional theory, First principle calculation

Thermal

Engineering (E)

17200017

General Research Fund (GRF)

2017

Completed

1)To develop a new broadly applicable approach for predicting phonon coupling beyond the capabilities of perturbation theory; 2) To unveil the phonon coupling mechanisms that lead to a strong suppression of thermal transport through a combination of both theoretical and experimental approaches; 3) To optimize material thermal properties for various engineering applications based on new insight into the interplay among the chemical bond hierarchy, phonon coupling, and ultralow thermal conductivity.