Mathieu Bouville

Microstructure and mechanical properties of constrained shape-memory alloy nanograins and nanowires

Abstract We use the phase-field method to study the martensitic transformation at the nanoscale. For nanosystems such as nanowires and nanograins embedded in a stiff matrix, the geometric constraints and boundary conditions have an impact on martensite formation, leading to new microstructures – such as dots aligned on a square lattice with axes along 〈 0 1 〉 – or preventing martensite formation altogether. We also perform tension tests on the nanowires. The stress–strain curves are very different from bulk results. Moreover, they are weakly affected by microstructures – the mechanical response of nanowires with different microstructures may be similar, while nanowires with the same microstructure may have a different mechanical behavior. We also observe that at the transition temperature, or slightly below it, the narrowest wires behave pseudoelastically whereas wider wires are in the memory-shape regime. Moreover, the yield stress does not change monotonically with width: it has a minimum value at intermediate width.

Grain-boundary grooving and agglomeration of alloy thin films with a slow-diffusing species

We present a general phase-field model for grain-boundary grooving and agglomeration of polycrystalline alloy thin films. In particular, we study the effects of slow-diffusing species on the grooving rate. As the groove grows, the slow species becomes concentrated near the groove tip so that further grooving is limited by the rate at which it diffuses away from the tip. At early times the dominant diffusion path is along the boundary, while at late times it is parallel to the substrate. This change in path strongly affects the time dependence of grain-boundary grooving and increases the time to agglomeration. The present model provides a tool for agglomeration-resistant thin film alloy design.

Interplay between diffusive and displacive phase transformations: time-temperature-transformation diagrams and microstructures.

Materials which can undergo extremely fast displacive transformations as well as very slow diffusive transformations are studied using a Ginzburg-Landau framework. This simple model captures the essential physics behind microstructure formation and time-temperature-transformation diagrams in alloys such as steels. It also predicts the formation of mixed microstructures by an interplay between diffusive and displacive mechanisms. The intrinsic volume changes associated with the transformations stabilize mixed microstructures such as martensite-retained austenite (responsible for the existence of a martensite finish temperature) and martensite-pearlite.

Effect of lattice-mismatch-induced strains on coupled diffusive and displacive phase transformations

Materials which can undergo slow diffusive transformations as well as fast displacive transformations are studied using the phase-field method. The model captures the essential features of the time-temperature-transformation (TTT) diagrams, continuous cooling transformation (CCT) diagrams, and microstructure formation of these alloys. In some materials systems there can exist an intrinsic volume change associated with these transformations. We show that these coherency strains can stabilize mixed microstructures (such as retained austenite-martensite and pearlite-martensite mixtures) by an interplay between diffusive and displacive mechanisms, which can alter TTT and CCT diagrams. Depending on the conditions there can be competitive or cooperative nucleation of the two kinds of phases. The model also shows that small differences in volume changes can have noticeable effects on the early stages of martensite formation and on the resulting microstructures. -- Long version of cond-mat/0605577 -- Keywords: Ginzburg-Landau, martensite, pearlite, spinodal decomposition, shape memory, microstructures, TTT diagram, CCT diagram, elastic compatibility

Pit nucleation in the presence of three-dimensional islands during heteroepitaxial growth

We present a model in which pit nucleation in thin films is considered to arise from a near-equilibrium nucleation process. In this model the adatom concentration plays a central role in controlling the morphological development of the surface. Although pits relieve elastic energy more efficiently than islands, pit nucleation can be prevented by a high adatom concentration. Three-dimensional islands act as adatom sinks and the lower adatom density in their vicinity promotes pit nucleation. Thermodynamic considerations predict several different growth regimes in which pits may nucleate at different stages of growth depending on the growth conditions and materials system. However direct comparisons to experimental observations require that kinetics be taken into account as well. The model predicts a wide range of possible morphologies: planar films, islands alone, islands nucleation followed by pit nucleation, and pits alone. The model shows good agreement with experimental observations in III-V systems given the uncertainties in quantifying experimental parameters such as the surface energy.

Phase field simulations of coupled phase transformations in ferroelastic-ferroelastic nanocomposites

We use phase field simulations to study composites made of two different ferroelastics (e.g., two types of martensite). The deformation of one material due to a phase transformation can elastically affect the other constituent and induce it to transform as well. We show that the phase transformation can then occur above its normal critical temperature and even higher above this temperature in nanocomposites than in bulk composites. Microstructures depend on temperature, on the thickness of the layers, and on the crystal structure of the two constituents -- certain nanocomposites exhibit a great diversity of microstructures not found in bulk composites. Also, the periodicity of the martensite twins may vary over 1 order of magnitude based on geometry. keywords: Ginzburg-Landau, martensitic transformation, multi-ferroics, nanostructure, shape-memory alloy