COMPUTATIONAL MATERIALS SCIENCE

dc.creatorRojas-Nunez, Javier
dc.creatorValencia, Felipe
dc.creatorGonzález, Rafael I
dc.creatorBringa, Eduardo M
dc.creatorAllende, Sebastián
dc.creatorPalma, Juan Luis
dc.creatorPereira, Alejandro
dc.creatorEscrig-Murúa, Juan EduardoEduardo
dc.creatorBaltazar, Samuel E.
dc.date2021-08-23T22:53:01Z
dc.date2022-07-08T20:36:18Z
dc.date2021-08-23T22:53:01Z
dc.date2022-07-08T20:36:18Z
dc.date2019
dc.date.accessioned2023-08-22T00:50:08Z
dc.date.available2023-08-22T00:50:08Z
dc.identifier1150952
dc.identifier1150952
dc.identifierhttps://hdl.handle.net/10533/251083
dc.identifier.urihttps://repositorioslatinoamericanos.uchile.cl/handle/2250/8302708
dc.descriptionThe mechanical properties of metallic nanowires and nanotubes were investigated using atomistic molecular dynamics simulations on Ni polycrystalline structures, similar to those experimentally obtained by Atomic Layer Deposition. We studied the response of nanostructures under uniaxial deformations with different thickness, geometry, and crystalline degree. Plastic deformation is due to stacking fault and coherent twin boundary formation, and to grain boundary activity. Different fracture processes are obtained from these systems, being the thin nanotubes failing thanks to a mix of brittle failure by grain boundary decohesion and ductile fracture due to significantly more twins than with a thicker nanotube and nanowire during the ductile fracture. The stress-strain curves, atomic displacements, and defects formation were analyzed, finding that nanotubes with a fraction of the volumetric mass have practically the same Young modulus and ultimate tensile stress, while fracture strain is slightly larger for nanowire. From all these studied cases, it is remarkable the result where ultra-thin nanotubes can withstand a 21% of tensile stress-strain with a similar yield strength than nanowires, but with a volumetric mass reduction of 60%, offering a lightweight alternative to design mechanical nanodevices with minimal loss of mechanical performance.
dc.descriptionRegular 2015
dc.descriptionFONDECYT
dc.descriptionFONDECYT
dc.languageeng
dc.relationhandle/10533/111557
dc.relationhandle/10533/111541
dc.relationhandle/10533/108045
dc.relationhttps://doi.org/10.1016/j.commatsci.2019.05.062
dc.rightsAtribución-NoComercial-SinDerivadas 3.0 Chile
dc.rightshttp://creativecommons.org/licenses/by-nc-nd/3.0/cl/
dc.rightsinfo:eu-repo/semantics/article
dc.rightsinfo:eu-repo/semantics/openAccess
dc.titleMechanical performance of lightweight polycrystalline Ni nanotubes
dc.titleCOMPUTATIONAL MATERIALS SCIENCE
dc.typeArticulo
dc.typeinfo:eu-repo/semantics/publishedVersion


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