2005
DOI: 10.1103/physrevb.72.094115
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Molecular dynamics simulations of the mechanical strength ofSiSi3N4interfaces

Abstract: Molecular dynamics simulations are performed on parallel computers to investigate the crystalline Si͑111͒ /Si 3 N 4 ͑0001͒ interface that is modeled as an eight-component system. The average total energy per particle and the average kinetic energy per particle of the subsystems are monitored during the preparation of the system. The Young's modulus of the interface is compared with that of the silicon part alone and that of the silicon-nitride film, respectively. The results for one extended simulation feature… Show more

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Cited by 9 publications
(3 citation statements)
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“…The details of the corresponding Si(111)/Si 3 N 4 (0 0 0 1) interface structure have been already studied by simulations, as described in Ref. [26]. Despite this epitaxial relation, it remains however unclear if the basal plane of a nitride crystallite rod induces the formation of solid silicon in the slightly supercooled silicon melts in our experiments.…”
Section: Article In Pressmentioning
confidence: 83%
“…The details of the corresponding Si(111)/Si 3 N 4 (0 0 0 1) interface structure have been already studied by simulations, as described in Ref. [26]. Despite this epitaxial relation, it remains however unclear if the basal plane of a nitride crystallite rod induces the formation of solid silicon in the slightly supercooled silicon melts in our experiments.…”
Section: Article In Pressmentioning
confidence: 83%
“…Bachlechner et al investigated the mechanical strength of Si/Si 3 N 4 interface by applying tensile strain parallel to the interface. The results showed that the binary system failed as the crack initiates and propagates in the Si 3 N 4 layer, whereas in the Si layer, only dislocations were emitted.…”
Section: Introductionmentioning
confidence: 99%
“…With recent technological advancement, this tool is widely employed to investigate the failure mechanisms such as fracture and dislocations for a vast variety of materials (Abraham and Gao, 2000;Gerde and Marder, 2001). Bachlechner et al (2005) investigated the mechanical strength of the Si/Si 3 N 4 interface by applying tensile strain parallel to the interface. The results showed that the binary system failed as the crack initiates and propagates in the Si 3 N 4 layer, whereas in the Si layer, only dislocations were emitted.…”
Section: Interfacial Delaminationmentioning
confidence: 99%