Radiation-Induced Degradation Mechanisms in Silicon MEMS Under Coupled Thermal and Mechanical Fields

Silicon-based MEMS devices are essential in extreme radiation environments but suffer progressive reliability degradation from irradiation-induced defects. Here, the generation, aggregation, and clustering of defects in single-crystal silicon were systematically investigated through molecular dynamics (MD) simulations via employing a hybrid Tersoff–ZBL potential that was validated by nanoindentation and transmission electron microscopy. The influences of the primary knock-on atom energy, temperature, and pre-strain state on defect evolution were quantified in detail. Frenkel defects were found to cause a linear reduction in the Young’s modulus and a nonlinear decline in thermal conductivity via enhanced phonon scattering. To link atomic-scale damage with device-level performance, MD-predicted modulus degradation was incorporated into finite element (FE) models of a sensing diaphragm. The FE analysis revealed that modulus reductions result in nonlinear increases in deflection and stress concentration, potentially impairing sensing accuracy. This integrated MD–FE framework establishes a robust, physics-based approach for predicting and mitigating irradiation damage in silicon-based MEMS operating in extreme environments.