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FoamExplorer: Automated measurement of ligaments and voids for atomistic systems
(Elsevier, 2020-12)
Atomistic simulations are often used to explore the mechanical and chemical properties of a variety of materials and structures, such as nanowires, whiskers, nanospheres, nanotrusses, and nanoscale foams, among others. ...
Nanoindentation of polycrystalline Pd hollow nanoparticles: Grain size role
(Elsevier, 2020-06)
Polycrystalline hollow nanoparticles present a unique combination of strength and flexibility. However, the exact role displayed by their grain structure in mechanical properties has not been yet fully understood. Here, ...
Effect of Tip Roundness on the Nanoindentation of Fe Crystals
(Springer New York, 2020-04)
Indentation tips are never atomically sharp, but rounded at their end. We use atomistic simulation to study the effect of tip roundness for the particular case of a cube-corner pyramidal indenter by comparing the results ...
Effect of subsurface voids on the nanoindentation of Fe crystals
(IOP Publishing Ltd., 2020-03)
Subsurface voids may strongly affect the response of materials to nanoindentation. We explore these effects for a bcc single-crystalline Fe sample using molecular dynamics simulation. Deformation occurs mainly by nucleation ...
Indentation and scratching of iron by a rotating tool-a molecular dynamics study
(ELSEVIER, 2021-06-15)
When abrasive particles interact with a surface, besides translational center-of-mass motion also rotational motion of the abrasive may be involved. We perform molecular dynamics simulations of the influence of the rotational ...
Simulated nanoindentation into single-phase fcc FexNi1-x alloys predicts maximum hardness for equiatomic stoichiometry
(NATURE PORTFOLIO, 2023-06-16)
We investigate by molecular dynamics simulation the mechanical behavior of concentrated alloys under nanoindentation for the special example of single-phase fcc FexNi1-x alloys. The indentation hardness is maximum for the ...