arXiv subjects

Brian Wyatt

Publications and source records attributed to Brian Wyatt.

2 recordsLinked to original sources

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↗

arXiv2025

Exploration of Hexagonal, Layered Carbides and Nitrides as Ultra-High Temperature Ceramics

Layered, hexagonal crystal structures, like zeta and eta phases, play an important role in ultra-high temperature ceramics, often significantly increasing toughness of carbide composites. Despite their importance open questions remain about their structure, stability, and compositional pervasiveness. We use high-throughput density functional theory to characterize the thermodynamic stability and elastic constants of layered carbides and nitrides M$_{n+1}$X$_{n}$ with $n$ = 1, 2, and 3, $M$ = Ta, Ti, Hf, Zr, Nb, Mo, V, W, Sc, Cr, Mn and $X$ = C, N. The stacking sequences explored are inspired by the possible use of MXenes as precursors to enable relatively low temperature processing of high-temperature ceramics. We identified 67 new hexagonal, layered materials with thermal stability comparable or better than previously observed zeta phases. To assess their potential for high temperature applications, we used machine learning and physics-based models with DFT inputs to predict their melting temperatures and discovered several candidates on par with the current state of the art zeta-like phases and five with predicted melting temperatures above 2500 K. The findings expand the range of chemistries and structures for high-temperature applications.

cond-mat.mtrl-sci↗