Integrated Atomistic and Continuum Simulation Studies of Stress-defect Interactions in Semiconductors |
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Collaborators: Krishna Garikipati, UM ME
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Materials:
Semiconductors
Application: Electronic Technique: Computation |
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This work seeks to lay the foundation for a new class of continuum modeling methods for simulating the coupling of stress and diffusion at length scales from nanometers to microns. Correctly accounting for coupling between stress and defects is of crucial importance for addressing fundamental engineering questions that are critical for semiconductor process modeling and predicting optoelectronic device reliability. The most efficient methods for modeling both mechanics and diffusion are continuum methodologies. However, the origin of the coupling between stress fields and concentration fields arises due to changes in bonding on atomic scales. This research incorporates the physics of defects and their diffusion at the atomic scale into continuum descriptions of mechanics and diffusion via a rigorous theoretical treatment of the problem in both conceptual frameworks. To accomplish this, the proposed project combines investigations of stress-defect interactions using continuum theories with atomistic simulations of analogous systems. The long-term goal of this research is to introduce a scalable computational methodology that incorporates physics derived directly from atomistic models. This new formulation will accurately simulate point defect formation, diffusion and interaction under stress in semiconductor systems and provide physical models of dopant/defect evolution. This investigation will also advance the simulation of nucleation and growth of defects, voids and microcracks in semiconductor and NEMS/MEMS devices. |