An explanation for the existence of diamond-like carbon films (DLC)

in #science6 years ago (edited)
The very dense films of amorphous carbon can present some properties, such as exceptional hardness, the absence of chemical reactivity or optically transparent that are usually associated with carbon but with a very specific crystalline structure, that which we call diamond. Let's think about this one second, diamond movies? Yes, even if it looks like something out of a B-movie of the sixties. Precisely explain how it is possible that something so extraordinary happens is what has achieved a team of researchers led by the Spanish Miguel A. Caro, who works at the University of Aalto (Finland).

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Diamond, graphite and its structures. Source: APS Physics.

Alotropy is the ability of some elements to have different atomic or molecular structures. Each of these forms is called allotrope. Carbon is capable of forming many different allotropes due to its ability to form different types of chemical bonds. The best known forms of carbon include diamond and graphite (the pencils mine). In recent decades, many more allotropes and carbon forms have been discovered and investigated, including spherical forms such as buckminsterfullerene, sheets such as graphene or nanobelts and tubulars such as nanotubes. It is estimated that there are around 500 carbon allotropes.

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Diamond-like carbon (DLC) sheet on silicon. Source: APS Physics.

Amorphous carbon is the allotrope of carbon that does not have a crystalline structure. As with all vitreous materials (so-called glass), some short-range order may occur, but there are no long-range patterns of atomic positions. A variety of amorphous carbon is the so-called diamond-like carbon, more commonly known in the industry by its acronym DLC (diamond-like carbon)

Chemists and engineers have learned by trial and error to create DLC films by depositing carbon atoms on a carbon substrate. The use of trial and error is precisely because it is not theoretically understood how these films are formed. Now, by combining an automatic learning algorithm with molecular dynamics simulations, Caro and his colleagues have shown that DLC films are formed through a "shot peening" mechanism.

If in the blasting of a sheet metal workshop, the body of a car is treated with a "shot of grit" (or "sand") to leave the surface completely clean and ready to receive the primer before painting, In the case of DLC, the impact of a carbon atom on the surface induces pressure waves that locally change the density of the film and, in turn, orbital hybridization, that is, the type of chemical bonds that atoms can form in the film.

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Roughness of the surface (left) and atomic structure of the DLC film (right). Source: APS Physics.

The team simulated the sequential deposition of individual carbon atoms on a carbon substrate. Using a previously developed automatic learning algorithm they calculated the interatomic potentials between the atoms and introduced that information into the molecular dynamics simulations. This procedure allowed them to map the density of the films after each impact. They discovered that the incoming atoms created a pressure wave that moved the atoms away from the impact site, so that each impact decreased the density of the atoms on the surface of the film and increased it within the film. Inside the film, the density change caused a high fraction of carbon atoms to acquire a tetrahedral hybridization: exactly the same state as the carbon atoms in the diamond. The simulated density profiles agree with those derived experimentally.
-- Katherine Wright, APS Physics.

DLC films are already used industrially as coatings for parts exposed to high friction. What these results can do is help chemists optimize the growth of DLC films, which can be extremely interesting for the construction of implantable electronic devices in the human body. And is that the DLC, being chemically inert, is biocompatible.

Reference:

Miguel A. Caro et al (2018) Growth Mechanism and Origin of High sp3 Content in Tetrahedral Amorphous Carbon Physical Review Letters doi: 10.1103/PhysRevLett.120.166101

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Hi @mofeta.

The team simulated the sequential deposition of individual carbon atoms on a carbon substrate. Using a previously developed automatic learning algorithm they calculated the interatomic potentials between the atoms and introduced that information into the molecular dynamics simulations. This procedure allowed them to map the density of the films after each impact. They discovered that the incoming atoms created a pressure wave that moved the atoms away from the impact site, so that each impact decreased the density of the atoms on the surface of the film and increased it within the film. Inside the film, the density change caused a high fraction of carbon atoms to acquire a tetrahedral hybridization: exactly the same state as the carbon atoms in the diamond. The simulated density profiles agree with those derived experimentally.

I have found a similar text here. You changed a few words but it is still plagiarism. Please refrain from doing that in the future. Read, understand and write it in your own words.

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