Simulations of plasticity in diamond nanoparticles showing ultrahigh strength

Vidable, G. Garcia; González, Rafael I.; Valencia, Felipe J.; Amigó, Nicolás; Tramontina, Diego; Bringa, Eduardo M.

doi:10.1016/j.diamond.2022.109109

Cited by 8 publications

(3 citation statements)

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“…using σ y = 200 GPa and σ y = 9 GPa for diamond and graphite, respectively, Ref. [60], we establish the theoretical upper limits for graphite and diamond porous materials. As shown in Figure 5, nanoporous aC yield strength surpasses graphitic theoretical strength and becomes very close to the diamond upper limit for a cellular solid.…”

Section: Elastic Constantmentioning

confidence: 82%

Nanoporous Amorphous Carbon with Exceptional Ultra-High Strength

et al. 2023

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Nanoporous materials show a promising combination of mechanical properties in terms of their relative density; while there are numerous studies based on metallic nanoporous materials, here we focus on amorphous carbon with a bicontinuous nanoporous structure as an alternative to control the mechanical properties for the function of filament composition.Using atomistic simulations, we study the mechanical response of nanoporous amorphous carbon with 50% porosity, with sp3 content ranging from 10% to 50%. Our results show an unusually high strength between 10 and 20 GPa as a function of the %sp3 content. We present an analytical analysis derived from the Gibson–Ashby model for porous solids, and from the He and Thorpe theory for covalent solids to describe Young’s modulus and yield strength scaling laws extremely well, revealing also that the high strength is mainly due to the presence of sp3 bonding. Alternatively, we also find two distinct fracture modes: for low %sp3 samples, we observe a ductile-type behavior, while high %sp3 leads to brittle-type behavior due to high high shear strain clusters driving the carbon bond breaking that finally promotes the filament fracture. All in all, nanoporous amorphous carbon with bicontinuous structure is presented as a lightweight material with a tunable elasto-plastic response in terms of porosity and sp3 bonding, resulting in a material with a broad range of possible combinations of mechanical properties.

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Section: Elastic Constantmentioning

confidence: 82%

Nanoporous Amorphous Carbon with Exceptional Ultra-High Strength

et al. 2023

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“…42 The Tersoff potential 43 was used as the interatomic potential for carbon, having shown good performance in modeling the mechanical properties of diamond up to the pressures used in this paper, as well as in modeling dislocations. 16,44,45 All simulations were performed with the shock along the z direction. For the ½001 orientation, the default lattice settings for the diamond system were used.…”

Section: Methodsmentioning

confidence: 99%

“…12 The compression of diamond nanospheres also gives evidence of the effects of nanostructure morphology on defect generation. 16 It is well known that voids can act as stress concentrators, lowering the critical stress necessary for the development of dislocations and defects in materials, [17][18][19] and that small-grained industrial diamond is commonly under-dense.…”

Section: Progress and Potentialmentioning

confidence: 99%