Molecular dynamics simulation of mechanical and thermal properties of nano-zinc oxide modified cellulose insulating paper

• DOI: 10.7498/aps.73.20240208
• Publication Date: 2024-05-06T08:30:59Z
• Authors: Yu-Ye Zhang; Yi-Yi Zhang; Wen-Chang Wei; Zhi-Cheng Su; Dan-Quan Lan; Shi-Hao Luo
• Keywords: Dynamics

With the surge in electrical loads and increasing voltage levels, mechanical performance thermal stability of insulating paper are facing severe challenges. However, due to lack direct scientific theories or simulation guidance, traditional inefficient “trial-and-error” experiments difficult effectively develop new types cellulose composite papers. For solving this problem, work we enhance effects nanoscale zinc oxide (nano-ZnO) on properties through molecular dynamics simulations. Initially, model nano-ZnO/cellulose material , then carry out a microscopic analysis modified with varying nano-ZnO content, thus determining optimal ratio cellulose. The results indicate that compared outcomes from unmodified model, performance, cohesive energy density, glass transition temperature, conductivity nano-ZnO-modified all improved, highest increase elastic modulus reaching 45.31% attaining 41.49%. addition fills gaps fiber network enhances interactions between chains conduction channels, thereby improving thermodynamic This provides valuable theoretical references for rapidly preparing papers excellent performance.