The CoCrFeNi₂Mo_x (x = 0, 0.4, 0.5, 1.0, x values in atomic ratio) high-entropy alloy coatings were designed and prepared on the Ti-6Al-4V substrate by laser cladding technology, their microstructures, and dry sliding wear resistance were studied in detail. When x < 0.4, the coatings were mainly composed of BCC solid solution phase, (Ni, Co)Ti₂ phase, and α-Ti phase. When x ≥ 0.4, the new σ phase appeared in the coatings. As the Mo content increases from 0 to 1.0, the hardness showed a trend of first increasing and then decreasing, especially when x = 0.5, the coating hardness reached its maximum (882 HV), which was 2.65 times the hardness of the Ti-6Al-4V substrate. The CoCrFeNi₂Mo_x high-entropy alloy coatings significantly improved the wear resistance of Ti-6Al-4V substrate, and with the increase in Mo content, the friction coefficient, widths/depths of worn tracks and wear rates of the coatings showed a trend of first decreasing and then increasing. In particular, when x = 0.5, the CoCrFeNi₂Mo_0.5 high-entropy alloy coating has the lowest friction coefficient (0.63), widths/depths of worn tracks (width: 803.690 μm; depth: 20.630 μm) and wear rate (5.136 × 10⁻⁵ mm³/(N·m)), which is one order of magnitude smaller than that of the substrate (3.694 × 10⁻⁴ mm³/(N·m)), demonstrating the best wear resistance. This is mainly because the appropriate proportion of hard α-Ti and σ phases effectively played a supporting role in resisting wear, while the relatively soft and dispersed BCC and (Ni, Co)Ti₂ phases could effectively prevent the occurrence of brittle fracture during wear test process.

The dynamic mechanisms and intramolecular isotope effects of the Be(¹S) + HD (v₀ = 2, j₀ = 0) → BeH/BeD + H/D reaction are studied at the state-to-state level using the time-dependent wave packet method on a high-quality potential energy surface. This reaction can proceed along the indirect pathway that features a barrier and a deep well or the smooth direct pathway. The reaction probabilities, total and state-resolved integral cross sections, and differential cross sections are analyzed in detail. The calculated dynamics results show that both of the products are mainly formed by the dissociation of a collinear HBeD intermediate when the collision energy is slightly larger than the threshold. As the collision energy increases, the BeH + D channel is dominated by the direct abstraction process, whereas the BeD + H channel mainly follows the complex-forming mechanism.