Hydrogen quantum effects in hydride LaNi5H7J. Appl. Phys. 110, 063533 (2011) Accurate determination of the Gibbs energy of Cu-Zr melts using the thermodynamic integration method in Monte Carlo simulations J. Chem. Phys. 135, 084502 (2011) Efficient calculation of -and -nitrogen free energies and coexistence conditions via overlap sampling with targeted perturbation J. Chem. Phys. 135, 044125 (2011) An incremental mean first passage analysis for a quasistatic model of polymer translocation through a nanopore J. Chem. Phys. 134, 154905 (2011) The effect of pressure on the phase transition behavior of tridecane, pentadecane, and heptadecane: A Fourier transform infrared spectroscopy study J. Chem. Phys. 134, 144503 (2011) Additional information on J. Appl. Phys. Phase stability is an important topic for high entropy alloys (HEAs), but the understanding to it is very limited. The capability to predict phase stability from fundamental properties of constituent elements would benefit the alloy design greatly. The relationship between phase stability and physicochemical/thermodynamic properties of alloying components in HEAs was studied systematically. The mixing enthalpy is found to be the key factor controlling the formation of solid solutions or compounds. The stability of fcc and bcc solid solutions is well delineated by the valance electron concentration (VEC). The revealing of the effect of the VEC on the phase stability is vitally important for alloy design and for controlling the mechanical behavior of HEAs.

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The amorphous nature of metallic glasses and their mechanical properties make them interesting for structural applications. However, the interplay between the nature of atomic structures in metallic glasses and mechanical properties remains poorly understood. In this study, high-frequency dynamic micropillar tests have been used to probe both atomic clusters and flow defects in metallic glasses. We show that loosely bonded atomistic free-volume zones that are enveloped elastically by tightly bonded atomic clusters show a deformation character similar to supercooled liquids. At room temperature, the effective viscosity of these free-volume zones is of the order of 1 x 10(8) Pa s before the occurrence of shear banding. The confined liquid-like deformation of free-volume zones leads to significant mechanical hysteresis in micropillars under dynamic loading, providing important insight into how atomistic structural features affect the deformation behaviours in metallic glasses in the apparent elastic regime. The inelastic behaviour also serves as the basis for the superior damping resistance of metallic glasses.

It is not easy to fabricate materials that exhibit their theoretical 'ideal' strength. Most methods of producing stronger materials are based on controlling defects to impede the motion of dislocations, but such methods have their limitations. For example, industrial single-phase nanocrystalline alloys and single-phase metallic glasses can be very strong, but they typically soften at relatively low strains (less than two per cent) because of, respectively, the reverse Hall-Petch effect and shear-band formation. Here we describe an approach that combines the strengthening benefits of nanocrystallinity with those of amorphization to produce a dual-phase material that exhibits near-ideal strength at room temperature and without sample size effects. Our magnesium-alloy system consists of nanocrystalline cores embedded in amorphous glassy shells, and the strength of the resulting dual-phase material is a near-ideal 3.3 gigapascals-making this the strongest magnesium-alloy thin film yet achieved. We propose a mechanism, supported by constitutive modelling, in which the crystalline phase (consisting of almost-dislocation-free grains of around six nanometres in diameter) blocks the propagation of localized shear bands when under strain; moreover, within any shear bands that do appear, embedded crystalline grains divide and rotate, contributing to hardening and countering the softening effect of the shear band.