Molecular dynamics simulation on the enhanced tribological characteristics by sulfur-based tribo-film formation of TiO2/MoS2 heterostructure nanocomposites
Numerical investigations of the tribological behaviors of heterostructure nanocomposites were conducted using molecular dynamics simulation techniques. The frictional characteristics, including thermal stress, were analyzed by comparing four friction models: no-nanoparticle, MoS _2 , TiO _2 , and Ti...
Saved in:
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
IOP Publishing
2025-01-01
|
| Series: | Materials Research Express |
| Subjects: | |
| Online Access: | https://doi.org/10.1088/2053-1591/add2d7 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| Summary: | Numerical investigations of the tribological behaviors of heterostructure nanocomposites were conducted using molecular dynamics simulation techniques. The frictional characteristics, including thermal stress, were analyzed by comparing four friction models: no-nanoparticle, MoS _2 , TiO _2 , and TiO _2 /MoS _2 nanoparticle models under boundary lubrication. The no-nanoparticle model displayed high friction forces and temperature peaks owing to direct metal-to-metal contact, thus demonstrating the inherent challenges of substrate interactions without nanoparticle mediation. The addition of TiO _2 nanoparticles substantially reduced the average coefficient of friction by 56.08% compared with that of the MoS _2 model. This effect is attributable to the rolling effect induced by the nanoparticles, which minimized direct contact. The TiO _2 /MoS _2 model, which incorporated MoS _2 into the TiO _2 model, demonstrated a 24.42% reduction in the average coefficient of friction compared with the TiO _2 model. Additionally, the TiO _2 /MoS _2 composite model exhibits the lowest temperature profile during sliding, indicating its superior thermal management performance. The synergistic combination of TiO _2 and MoS _2 in the composite-nanoparticle tribological system enhanced the performance by forming tribofilms that reduced friction and wear while stabilizing the temperature. MoS _2 contributes to the formation of tribofilms that minimize wear and stabilize heat generation, while spherical TiO _2 nanoparticles prevent tribo-film degradation, further improving durability. This study highlights the synergistic efficacy of TiO _2 and MoS _2 nanoparticle additives in reducing wear and enhancing thermal management under frictional conditions, thereby providing valuable insights into advanced tribological applications. |
|---|---|
| ISSN: | 2053-1591 |