Origin of temperature-induced low friction of sputtered Si-containing amorphous carbon coatings

Jantschner, Oliver; Field, Susan; Holec, David; Fian, Alexander; Mušić, Denis; Schneider, Jochen M.; Zorn, Katrin; Mitterer, Christian

doi:10.1016/j.actamat.2014.09.030

Cited by 48 publications

(35 citation statements)

References 63 publications

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“…[178,179] It had been reported that the material in a tribological contact is in a strongly graphitized condition [180] and, therefore, we calculated PES of H, O, OH-and H 2 O physisorbed on graphene containing one Si atom. [179] The "ab initio" calculations clearly indicated that all these species preferentially bind to Si; we have, therefore, speculated that Si attracts them and consequently initiates humidity-related nanobearing effect similarly to the CrN/TiN superlattice. [176,177] This scenario was confirmed by an XPS analysis, which revealed a high amount of Si-O bonds.…”

Section: Surface Adsorptionmentioning

confidence: 60%

“…[179] The "ab initio" calculations clearly indicated that all these species preferentially bind to Si; we have, therefore, speculated that Si attracts them and consequently initiates humidity-related nanobearing effect similarly to the CrN/TiN superlattice. [179] An unusual effect was predicted for adsorption of O 2 and other environmental gasses, such as H 2 O, on Ti 0:5 Al 0:5 N(100). [179] An unusual effect was predicted for adsorption of O 2 and other environmental gasses, such as H 2 O, on Ti 0:5 Al 0:5 N(100).…”

Section: Surface Adsorptionmentioning

confidence: 82%

“…), [8,98,[193][194][195][196][197][198][199][200][201][202][203][204][205][206][207][208][209] 3) materials of relevance for real applications (complex compositions, realistic conditions, etc. ), [31,63,68,159,160,176,179,[210][211][212][213][214][215] and 4) high-throughput search for novel materials [13,[215][216][217][218][219][220][221] using databases such as aflowlib.org, [222] oqmd.org, [223] nomadrepository.eu, aiida.net, [224] or materialsproject.org [225] which can be efficiently accessed by their own online interfaces or Python libraries, for example, pymatgen. [226] For efficient implementation of points 2) and 3) it is envisioned that a multimethod/multiscale approaches, …”

Section: Discussionmentioning

confidence: 99%

“…[178,179] It had been reported that the material in a tribological contact is in a strongly graphitized condition [180] and, therefore, we calculated PES of H, O, OH-and H 2 O physisorbed on graphene containing one Si atom. [178,179] It had been reported that the material in a tribological contact is in a strongly graphitized condition [180] and, therefore, we calculated PES of H, O, OH-and H 2 O physisorbed on graphene containing one Si atom.…”

Section: Surface Adsorptionmentioning

confidence: 99%

“…Similarly, low friction was measured experimentally also for Si-containing amorphous carbon (a-C:Si) coatings when tested in atmospheres containing humidity. [178,179] It had been reported that the material in a tribological contact is in a strongly graphitized condition [180] and, therefore, we calculated PES of H, O, OH-and H 2 O physisorbed on graphene containing one Si atom. [179] The "ab initio" calculations clearly indicated that all these species preferentially bind to Si; we have, therefore, speculated that Si attracts them and consequently initiates humidity-related nanobearing effect similarly to the CrN/TiN superlattice.…”

Section: Surface Adsorptionmentioning

confidence: 99%

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Atomistic Modeling‐Based Design of Novel Materials

Holec¹,

Zhou

Riedl

et al. 2017

Adv Eng Mater

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Modern materials science increasingly advances via a knowledge-based development rather than a trialand-error procedure. Gathering large amounts of data and getting deep understanding of non-trivial relationships between synthesis of materials, their structure and properties is experimentally a tedious work. Here, theoretical modeling plays a vital role. In this review paper we briefly introduce modeling approaches employed in materials science, their principles and fields of application. We then focus on atomistic modeling methods, mostly quantum mechanical ones but also Monte Carlo and classical molecular dynamics, to demonstrate their practical use on selected examples. of the Deutsche Forschungsgemeinschaft (DFG). D.M. acknowledges the Collaborative Research Center SFB-TR 87/2 "Pulsed high power plasmas for the synthesis of nanostructured functional layers" of the DFG. The computational results presented have been achieved in part using the Vienna Scientific Cluster (VSC).

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Section: Surface Adsorptionmentioning

confidence: 60%

Section: Surface Adsorptionmentioning

confidence: 82%

Section: Discussionmentioning

confidence: 99%

“…[178,179] It had been reported that the material in a tribological contact is in a strongly graphitized condition [180] and, therefore, we calculated PES of H, O, OH-and H 2 O physisorbed on graphene containing one Si atom. [178,179] It had been reported that the material in a tribological contact is in a strongly graphitized condition [180] and, therefore, we calculated PES of H, O, OH-and H 2 O physisorbed on graphene containing one Si atom.…”

Section: Surface Adsorptionmentioning

confidence: 99%

Section: Surface Adsorptionmentioning

confidence: 99%

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Atomistic Modeling‐Based Design of Novel Materials

Holec¹,

Zhou

Riedl

et al. 2017

Adv Eng Mater

View full text Add to dashboard Cite

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Tailoring the mechanical and high‐temperature tribological properties of Si‐DLC films by controlling the Si content

Yu,

Mei,

Huang

et al. 2024

Surface & Interface Analysis

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The poor high‐temperature tribological performance of diamond‐like carbon (DLC) films severely limits their applications. To address this issue, silicon (Si) doped DLC films with Si content ranging from 0 to 11.52 at.% were synthesized utilizing the plasma‐assisted reactive magnetron sputtering technique. The influence of Si incorporation on the microstructure and mechanical properties was meticulously investigated by Raman spectroscopy, scanning electron microscope (SEM), X‐ray photoelectron spectroscopy (XPS), nanoindentation, and scratch testing. To ascertain the tribological behavior of the Si‐DLC films under elevated temperature conditions, in situ high‐temperature tests were conducted, spanning temperatures from ambient to 500°C. The findings indicated that distinct lubrication mechanisms prevail for Si‐DLC films with varying Si content across different temperature domains. As the test temperature and Si content increased, the lubrication mechanism exhibited a gradual transitions from high‐temperature induced graphitization to a particle wear regime dominated by SiC and formed SiO2 abrasive phases. The comprehensive performance of the films peaked at a Si content of 4.72 at.%, suggesting an optimal composition for high‐temperature applications. It is postulated that the in‐depth investigation presented herein holds considerable value for the design and fabrication of DLC films intended for use in high‐temperature settings, potentially unlocking their full potential in such demanding environments.

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