A Combined Experimental and First-Principles Based Assessment of Finite-Temperature Thermodynamic Properties of Intermetallic Al3Sc.

We present a first-principles assessment of the finite-temperature thermodynamic properties of the intermetallic Al3Sc phase including the complete spectrum of excitations and compare the theoretical findings with our dilatometric and calorimetric measurements. While significant electronic contributions to the heat capacity and thermal expansion are observed near the melting temperature, anharmonic contributions, and electron-phonon coupling effects are found to be relatively small. On the one hand, these accurate methods are used to demonstrate shortcomings of empirical predictions of phase stabilities such as the Neumann-Kopp rule. On the other hand, their combination with elasticity theory was found to provide an upper limit for the size of Al3Sc nanoprecipitates needed to maintain coherency with the host matrix. The chemo-mechanical coupling being responsible for the coherency loss of strengthening precipitates is revealed by a combination of state-of-the-art simulations and dedicated experiments. These findings can be exploited to fine-tune the microstructure of Al-Sc-based alloys to approach optimum mechanical properties.

Tracer measurements of atomic diffusion inside shear bands of a bulk metallic glass.

Atomic diffusion in deformed Pd(40)Ni(40)P(20) bulk metallic glass containing a single family of deformation-induced shear bands was measured by the radiotracer technique. The significant, by orders of magnitude, enhancement of the diffusion rate with respect to that in the untransformed matrix suggests that the shear bands represent short-circuit diffusion paths. Correlations between diffusivity, viscosity, and the excess free volume distribution inside of shear bands are discussed.

Network of porosity formed in ultrafine-grained copper produced by equal channel angular pressing.

Radiotracer experiments on diffusion of 63Ni and 86Rb in severely deformed commercially pure copper (8 passes of equal channel angular pressing) reveal unambiguously the existence of ultrafast transport paths. A fraction of these paths remains in the material even after complete recrystallization. Scanning electron microscopy and focused ion beam techniques are applied. Deep grooves are found which are related to original high-energy interfaces. In-depth sectioning near corresponding triple junctions reveals clearly multiple microvoids or microcracks caused by the severe deformation. Long-range tracer penetration over tens of micrometers proves that these submicrometer-large defects are connected by highly diffusive paths and that they appear with significant frequency.