Journal
MATERIALS
Volume 14, Issue 1, Pages -Publisher
MDPI
DOI: 10.3390/ma14010060
Keywords
microstructure; plastic deformation; FCC alloys; molecular dynamics; sliding contact
Categories
Funding
- Austrian COMET-Program (K2 Project InTribology) [872176]
- government of Lower Austria [WST3-F-5031370/001-2017]
- Engineering and Physical Sciences Research Council (EPSRC) [EP/N025954/1]
- TU Wien
- EPSRC [EP/N025954/1] Funding Source: UKRI
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The microstructural evolution in the near-surface regions of a dry sliding interface is studied using large-scale molecular dynamics simulations to investigate the effect of temperature on the deformation response of FCC CuNi alloys under various normal pressures. The results show that increasing the Ni content or reducing the temperature raises the energy barrier to activate dislocation activity, increasing the stress required for the transition to the next deformation regime. A 3D map of dominating deformation mechanism regimes for CuNi alloys is produced based on quantitative analysis and elimination of spatial and time dimensions from the data.
The microstructural evolution in the near-surface regions of a dry sliding interface has considerable influence on its tribological behavior and is driven mainly by mechanical energy and heat. In this work, we use large-scale molecular dynamics simulations to study the effect of temperature on the deformation response of FCC CuNi alloys of several compositions under various normal pressures. The microstructural evolution below the surface, marked by mechanisms spanning grain refinement, grain coarsening, twinning, and shear layer formation, is discussed in depth. The observed results are complemented by a rigorous analysis of the dislocation activity near the sliding interface. Moreover, we define key quantities corresponding to deformation mechanisms and analyze the time-independent differences between 300 K and 600 K for all simulated compositions and normal pressures. Raising the Ni content or reducing the temperature increases the energy barrier to activate dislocation activity or promote plasticity overall, thus increasing the threshold stress required for the transition to the next deformation regime. Repeated distillation of our quantitative analysis and successive elimination of spatial and time dimensions from the data allows us to produce a 3D map of the dominating deformation mechanism regimes for CuNi alloys as a function of composition, normal pressure, and homologous temperature.
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