arXiv subjects

Ali Erdemir

Publications and source records attributed to Ali Erdemir.

3 recordsLinked to original sources

arXiv2026

Finite Temperature Stacking Fault Stability in Random and Locally Ordered CoCrNi beyond the Harmonic Approximation

Previous density functional theory (DFT) calculations for random solid solution (RSS) CoCrNi predict negative intrinsic stacking-fault energy (ISFE) at 0 K, contrary to experimental observations of finite stacking-fault widths. Two explanations have been proposed: finite-temperature stabilization of the RSS state, suggested by harmonic approximations showing increasing ISFE with temperature, and local chemical order (LCO), which shifts the ISFE to positive values at 0 K. Here, we compute temperature-dependent generalized stacking-fault free energies for RSS and LCO CoCrNi using a near-quantum-accuracy machine learning interatomic potential and the fully anharmonic projected average force integrator. Unlike harmonic approximations, our anharmonic calculations show that the RSS ISFE decreases with temperature and remains negative, indicating that RSS stacking faults are not thermally stabilized at elevated temperatures. By contrast, LCO maintains positive ISFE over 0-1000 K. Molecular dynamics simulations further confirm unbounded dislocation dissociation in RSS CoCrNi but finite stacking-fault widths in the LCO state.

cond-mat.mtrl-sci↗

arXiv2026

Compositional Complexity-Induced Ultralow Friction in Medium-Entropy MXenes

Two-dimensional MXenes are promising solid lubricants, but the roles of compositional complexity and surface chemistry in governing interfacial friction remain unclear. Here, we systematically investigate the adhesion and friction behaviors of medium-entropy (ME) MXenes, TiVNbMoC3 and TiVCrMoC3, and compare them with conventional titanium carbide MXenes, Ti2C and Ti3C2, using a SiO2 colloidal atomic force microscopy probe. Thermal annealing at 200 C converts OH surface terminations to O terminations, leading to pronounced reductions in adhesion energy and friction force across all MXenes studied. ME MXenes exhibit larger adhesion reductions because of their higher initial OH contents and more extensive OH-to-O conversion. In addition, their intrinsically higher out-of-plane bending stiffness suppresses energy dissipation during sliding, enabling ultralow friction. Notably, superlubricity is achieved in ME MXenes, with annealed TiVCrMoC3 exhibiting a coefficient of friction as low as 0.0022, outperforming graphene, MoSe2, and other MXenes evaluated using the same experimental approach. These findings identify compositional complexity as a powerful strategy for engineering MXenes with exceptional tribological performance and establish ME MXenes as a new class of solid lubricants.

cond-mat.mtrl-sci↗

arXiv2023

Se Nano-Powder Conversion into Lubricious 2D Selenide Layers by Tribochemical Reactions

Transition metal dichalcogenide (TMD) coatings have attracted enormous scientific and industrial interest due to their outstanding tribological behavior. The paradigmatic example is MoS2, even though selenides and tellurides have demonstrated superior tribological properties. Here, we describe an innovative in-operando conversion of Se nano-powders into lubricious 2D selenides by sprinkling them onto sliding metallic surfaces coated with Mo and W thin films. Advanced material characterization confirms the tribochemical formation of a thin tribofilm containing selenides, reducing the coefficient of friction down to below 0.1 in ambient air, levels typically reached using fully formulated oils. Ab initio molecular dynamics simulations under tribological conditions reveal the atomistic mechanisms that result in shear-induced synthesis of selenide monolayers from nano-powders. The use of Se nano-powder provides thermal stability and prevents outgassing in vacuum environments. Additionally, the high reactivity of the Se nano-powder with the transition metal coating in the conditions prevailing in the contact interface yields highly reproducible results, making it particularly suitable for the replenishment of sliding components with solid lubricants, avoiding the long-lasting problem of TMD-lubricity degradation caused by environmental molecules. The suggested straightforward approach demonstrates an unconventional and smart way to synthesize TMDs in-operando and exploit their friction- and wear reducing impact.

cond-mat.mtrl-sci↗