Phase diagrams

Temperature-composition phase diagrams are introduced as maps of the regions of stability of binary systems at constant pressure, usually atmospheric pressure at sea level. Their construction is based on minimisation of the Gibbs free energy as a function of composition at a given temperature. The simple case of miscibility in the solid and liquid states over the full range of composition is discussed first. Eutectic and peritectic phase diagrams result from limited miscibility in the solid state. Intermediate phases, or ordered alloys, usually occur in narrow ranges of composition in phase diagrams, and this is also explained in terms of free energy composition curves. Each phase diagram is shown to obey the phase rule discussed in the previous chapter.

Atomic Control of Active Site Ensembles in Ordered Alloys to Enhance Hydrogenation Selectivity

Intermetallic compounds offer unique opportunities for atom-by-atom manipulation of catalytic ensembles through precise stoichiometric control. The [Pd, (M), Zn] γ-brass phase allows for controlled synthesis of Pd-M-Pd catalytic sites (M = Zn, Pd, Cu, Ag and Au) isolated in an inert Zn matrix. These multi-atom heteronuclear active sites are catalytically distinct from Pd single atoms and fully coordinated Pd. We quantify the unexpectedly large effect of active site composition (i.e., identity of M atom in Pd-M-Pd sites) on ethylene selectivity during acetylene semi-hydrogenation. Subtle stoichiometric control demonstrates Pd-Pd-Pd sites are active for ethylene hydrogenation, whereas Pd-Zn-Pd sites show no measurable ethylene to ethane conversion. Agreement between experimental and density functional theory predicted activities and selectivities demonstrates precise control of Pd-M-Pd active site composition. The diversity and well-defined structure of intermetallics can be utilized to design active sites assembled with atomic-level precision.

Dislocation mechanisms and strengthening methods in metal crystals

The world advances in the fields of strength physics, physical metallurgy, and materials science are analyzed and summarized with the primary objective of exploring the potential of different dislocation strengthening mechanisms in rare earth and superlight metals, their ordered alloys, cluster-assembled nanophase, and rapid-hardening materials. Besides, the monograph aims to provide a vehicle for exchange and dissemination of basic ideas in the fields. The volume is intended for scientists, engineering, and technical workers specializing in solid state physics and physical metallurgy as well as for educational use by students and postgraduates of relevant specialties.

Evolution of dislocation substructure under deformation of ordered and disordered Pd3Fe alloy in the region of low stable structural-phase states

The results of an electron microscopy study of the evolution of the dislocation structure of a polycrystalline ordered and disordered Pd3Fe alloy in the region of weakly stable structural-phase States are presented. The scheme of rearrangement of dislocation substructures during the transition from stage to stage, which are highlighted on the deformation curves of the Pd3Fe alloy, is constructed. It is established that in the case of both disordered and ordered alloys, each stage of deformation is characterized by its own special types of dislocation substructure (DSS), which are the main carriers of deformation for this stage. Transitions from some types of DSS to other types occur in certain ranges of values of the degree of deformation ε. The appearance of the DSS type characteristic of this stage of deformation occurs at the previous stage, and as the degree of deformation increases, the proportion of this type of DSS increases. At the stage under consideration, their share is the largest, and when moving to the next stage, it gradually decreases until it disappears. In the case of ordered alloys, the types of dislocation substructure-the main carrier of deformation for this stage differ from the types of DSS that are implemented in disordered alloys at the same stage of deformation. It is shown that each stage of deformation has its own DSS - strain carriers. When moving to a new stage, the transition to new structural carriers of deformation occurs. During the transition, these carriers co-exist, which is a characteristic feature of weakly stable States of the system.

One-Dimensional Alternating Extended Hubbard Model at Quarter-Filling and Its Applications to Structural Instabilities of Organic Conductors

The one-dimensional extended Hubbard model with lattice dimerization and alternated site potentials is analyzed using the renormalization group method. The coupling of electrons to structural degrees of freedom such as the anion lattice and acoustic phonons is investigated to obtain the possible instabilities against the formation of lattice superstructures. Applications of the theory to anionic and spin-Peierls instabilities in the Fabre and Bechgaard salts series of organic conductors and ordered alloys are presented and discussed.