Structure, mechanical properties, and thermal transport in microporous silicon nitride—molecular-dynamics simulations on a parallel machine
Concurrent Computing Laboratory for Materials Simulations,
Department of Physics & Astronomy and Department of Computer Science,
Louisiana State University, Baton Rouge, LA 70803, USA
Accepted: 29 January 1996
Equilibrium and non-equilibrium molecular-dynamics simulations are performed to determine the structure, mechanical properties, and thermal conductivity of amorphous silicon nitride under uniform dilation. For mass densities below , we observe a significant growth of pores. Near 2.0 g/cc the average pore volume diverges with an exponent of 1.95. The thermal conductivity and Young's modulus are found to scale as and , respectively.
PACS: 61.43.Bn – Structural modeling: serial-addition models, computer simulation / 61.20.Ja – Computer simulation / 62.20.Mk – Fatigue, brittleness, fracture, and cracks
© EDP Sciences, 1996