Fast parallel algorithms for short-range molecular dynamics
Journal of Computational Physics
Dynamic bond-order force field
Journal of Computational Electronics
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Increasing impact of reliability on device and circuit performance requires new multiscale simulation solutions to improve the design flow from device to circuit, capable of simulating local atomic effects impact on circuits. Here we present an original framework starting from molecular dynamics and density functional theory (DFT) simulation to obtain an accurate description of oxide traps, that is included at the next stage into a dynamic reliability simulator, providing workload dependent Bias Temperature Instabilities (BTI) impact on devices, including reliability interactions with statistical variability. Finally simulation results of large samples are used to extract compact model libraries including the impact of oxide degradation on devices at a given time. As a final outcome we present a time dependent failure rate.