Influence of the shape of silica nanoparticles on the elastic properties and glass transition temperature of PLA-based nanocomposites: Molecular dynamics simulation DOI

Mohammad Kazem Nikzad,

Faramarz Ashenai Ghasemi, Farshid Aghadavoudi

и другие.

Plastics Rubber and Composites Macromolecular Engineering, Год журнала: 2025, Номер unknown

Опубликована: Март 17, 2025

In this study, the influence of shape silica nanoparticles (SiO 2 ) on thermal and mechanical properties polymer-based composites was analysed using molecular dynamics method in LAMMPS software. The matrix all atomic samples polylactic acid (PLA) SiO particles, with various shapes including rod, and, wire were used as reinforcements. All samples’ modulus elasticity, Poisson's ratio glass transition temperature ( T g values calculated separately after equilibrium applying constant-temperature, constant-volume ensemble (NVT). results simulations showed that spherical has greatest effect elasticity an increase 232% compared to pure PLA. rod had reducing PLA a reduction 24%. Regarding ratio, 48%.

Язык: Английский

Influence of the shape of silica nanoparticles on the elastic properties and glass transition temperature of PLA-based nanocomposites: Molecular dynamics simulation DOI

Mohammad Kazem Nikzad,

Faramarz Ashenai Ghasemi, Farshid Aghadavoudi

и другие.

Plastics Rubber and Composites Macromolecular Engineering, Год журнала: 2025, Номер unknown

Опубликована: Март 17, 2025

In this study, the influence of shape silica nanoparticles (SiO 2 ) on thermal and mechanical properties polymer-based composites was analysed using molecular dynamics method in LAMMPS software. The matrix all atomic samples polylactic acid (PLA) SiO particles, with various shapes including rod, and, wire were used as reinforcements. All samples’ modulus elasticity, Poisson's ratio glass transition temperature ( T g values calculated separately after equilibrium applying constant-temperature, constant-volume ensemble (NVT). results simulations showed that spherical has greatest effect elasticity an increase 232% compared to pure PLA. rod had reducing PLA a reduction 24%. Regarding ratio, 48%.

Язык: Английский

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