Molecular Dynamic Study of the Mechanical Properties of TiAlTaN Coating on a Titanium Substrate Subjected to Scratching

AY Nikonov, PROCEEDINGS OF THE INTERNATIONAL CONFERENCE ON PHYSICAL MESOMECHANICS. MATERIALS WITH MULTILEVEL HIERARCHICAL STRUCTURE AND INTELLIGENT MANUFACTURING TECHNOLOGY, 2310, 020225 (2020).

DOI: 10.1063/5.0034153

The numerical scratching of titanium substrates with coatings based on the Ti-Al-Ta-N and Ti-Al-Ta-N systems is in the focus of the paper. In the case of Ti-Al-N coating, 25% of Ti atoms in the cubic lattice of TiN were randomly replaced by Al atoms. Four-component coating was set as Ti31Al33Ta36N with random distribution of Ta and Al. The studies were carried out using the molecular dynamics method. It was shown that for the Ti75Al25N coating the number of atoms with packaging different from the original is much larger than for the sample with the Ti31Al33Ta36N coating. Moreover the number of atoms with a local configuration different from the initial one in the sample with the ternary coating penetrates deeper into the bulk of the titanium substrate. The results of computer simulations correlate well with available data of experimental studies.

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