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Dokumenttyp:
Zeitschriftenaufsatz 
Autor(en):
Ivashchenko, V.I.; Veprek, S.; Argon, A.S.; Turchi, P.E.A.; Gorb, L.; Hill, F.; Leszczynski, J. 
Titel:
First-principles quantum molecular calculations of structural and mechanical properties of TiN/SiNx heterostructures, and the achievable hardness of the nc-TiN/SiNx nanocomposites 
Abstract:
TiN/SiNx heterostructures with one monolayer of the interfacial SiNx have been investigated in the framework of first-principles molecular dynamics calculations in the temperature range of 0 to 1400 K with subsequent static relaxation. The atomic configurations, thermal stability and stress–strain relations have been calculated. Among the heterostructures studied, only the TiN(111)/SiN/TiN(111) and TiN(111)/Si2N3/TiN(111) ones are thermally stable. Upon tensile load, decohesion occurs between th...    »
 
Stichworte:
Achievable hardness 
Zeitschriftentitel:
Thin Solid Films 
Jahr:
2015 
Band / Volume:
578 
Heft / Issue:
Seitenangaben Beitrag:
83 - 92 
Print-ISSN:
0040-6090