Published April 20, 1998
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Journal Article
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Multimillion-atom molecular dynamics simulation of atomic level stresses in Si(111)/Si3N4(0001) nanopixels
Abstract
Ten million atom multiresolution molecular-dynamics simulations are performed on parallel computers to determine atomic-level stress distributions in a 54 nm nanopixel on a 0.1 µm silicon substrate. Effects of surfaces, edges, and lattice mismatch at the Si(111)/Si3N4(0001) interface on the stress distributions are investigated. Stresses are found to be highly inhomogeneous in the nanopixel. The top surface of silicon nitride has a compressive stress of +3 GPa and the stress is tensile, –1 GPa, in silicon below the interface.
Additional Information
©1998 American Institute of Physics. (Received 22 December 1997; accepted 18 February 1998) Work supported by the Austrian FWF (J01146-PHY and J01444-PHY), DOE (Grant No. DE-FG05-92ER45477), NSF (Grant No. DMR-9412965), AFOSR (Grant No. F 49620-94-1-0444), USC-LSU MURI (Grant No. F 49620-95-1-0452), ARO (Grant No. DAAH04-96-1-0393), and PRF (Grant No. 31659-AC9). Simulations involving one to two million atoms were performed on the parallel machines in the Concurrent Computing Laboratory for Materials Simulations at LSU. The ten million atom simulations were carried out at the 256-processor HP Exemplar at Caltech. Access to the Exemplar was provided by the National Partnership for Advanced Computational Infrastructure (NPACI) through a cooperative agreement from the National Science Foundation.Files
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- CaltechAUTHORS:BACapl98
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