5 papers
Computing finite--temperature elastic constants with noise cancellation
Debashish Mukherji, Marcus Müller, Martin H. Müser
Elastic constants are central material properties, frequently reported in experimental and theoretical studies. While their computation is straightforward in the absence of thermal…
Thermal conductivity of commodity polymers under high pressures
Otavio Higino Moura de Alencar, James Mu, Marcus Müller +1
Understanding the thermal conductivity of polymers under high-pressure conditions is essential for a range of applications, from aerospace and deep-sea engineering to common lubric…
Thermal conductivity of polymers: A simple matter where complexity matters
Debashish Mukherji
Thermal conductivity coefficient measures the ability of a material to conduct a heat current. In particular, is an important property that often dictates the usefulness…
Smart polymer solution and thermal conductivity: How important is an exact polymer conformation?
Mokter M. Chowdhury, Robinson Cortes-Huerto, Debashish Mukherji
Heat management in devices is a key to their efficiency and longevity. Here, thermal switches (TS) are of great importance because of their ability to transition between different…
Computing the thermal transport coefficient of neutral amorphous polymers using exact vibrational density of states: Comparison with experiments
Debashish Mukherji
Thermal transport coefficient is an important property that often dictates broad applications of a polymeric material, while at the same time its computation remains challengi…