Dynamics of Shear-Transformation Zones in Amorphous Plasticity: Formulation in Terms of an Effective Disorder Temperature

This investigation extends earlier studies of a shear-transformation-zone (STZ) theory of plastic deformation in amorphous solids. My main purpose here is to explore the possibility that the configurational degrees of freedom of such systems fall out of thermodynamic equilibrium with the heat bath during persistent mechanical deformation, and that the resulting state of configurational disorder may be characterized by an effective temperature. The further assumption that the population of STZ's equilibrates with the effective temperature allows the theory to be compared directly with experimentally measured properties of metallic glasses, including their calorimetric behavior. The coupling between the effective temperature and mechanical deformation suggests an explanation of shear-banding instabilities.Comment: 29 pages, 11 figure

Shear-transformation-zone theory of plastic deformation near the glass transition

The shear-transformation-zone (STZ) theory of plastic deformation in glass-forming materials is reformulated in light of recent progress in understanding the roles played the effective disorder temperature and entropy flow in nonequilibrium situations. A distinction between fast and slow internal state variables reduces the theory to just two coupled equations of motion, one describing the plastic response to applied stresses, and the other the dynamics of the effective temperature. The analysis leading to these equations contains, as a byproduct, a fundamental reinterpretation of the dynamic yield stress in amorphous materials. In order to put all these concepts together in a realistic context, the paper concludes with a reexamination of the experimentally observed rheological behavior of a bulk metallic glass. That reexamination serves as a test of the STZ dynamics, confirming that system parameters obtained from steady-state properties such as the viscosity can be used to predict transient behaviors.Comment: 15 pages, four figure

Athermal Shear-Transformation-Zone Theory of Amorphous Plastic Deformation I: Basic Principles

We develop an athermal version of the shear-transformation-zone (STZ) theory of amorphous plasticity in materials where thermal activation of irreversible molecular rearrangements is negligible or nonexistent. In many respects, this theory has broader applicability and yet is simpler than its thermal predecessors. For example, it needs no special effort to assure consistency with the laws of thermodynamics, and the interpretation of yielding as an exchange of dynamic stability between jammed and flowing states is clearer than before. The athermal theory presented here incorporates an explicit distribution of STZ transition thresholds. Although this theory contains no conventional thermal fluctuations, the concept of an effective temperature is essential for understanding how the STZ density is related to the state of disorder of the system.Comment: 7 pages, 2 figures; first of a two-part serie

A catalogue of [100], [110], and [111] symmetric tilt boundaries in face-centered cubic hard sphere crystals.

Engineering and Applied Science

Local shear transformations in deformed and quiescent hard-sphere colloidal glasses

We performed a series of deformation experiments on a monodisperse, hard-sphere colloidal glass while simultaneously following the 3D trajectories of roughly 50,000 individual particles with a confocal microscope. In each experiment, we deformed the glass in pure shear at a constant strain rate (1 − 5 × 10−5s−1) to maximum macroscopic strains (5 − 10%), then reversed the deformation at the same rate to return to zero macroscopic strain. We also measured 3D particle trajectories in an identically-prepared quiescent glass in which the macroscopic strain was always zero. We find that shear transformation zones exist and are active in both sheared and quiescent colloidal glasses, revealed by a distinctive four-fold signature in spatial autocorrelations of the local shear strain. With increasing shear, the population of local shear transformations develops more quickly than in a quiescent glass, and many of these transformations are irreversible. When the macroscopic strain is reversed, we observe partial elastic recovery, followed by plastic deformation of the opposite sign, required to compensate for the irreversibly transformed regions. The average diameter of the shear transformation zones at maximum strain is 2.3 particle diameters.Engineering and Applied Science

Grain Growth in Thin Films with a Fibre Texture Studied by Phase-Field Simulations and Mean Field Modelling

The evolution of fiber textured structures is simulated in 2 dimensions using a generalized phase field model assuming two forms for the misorientation, a steady-state regime is reached after a finite amount of grain growth, where the numer and length weighted misorientation distribution functions (MDF) are constant in time, and the mean grain area A as a function of time t follows a power growth law A - A0 = kt^n with n close to 1 and A0 the initial mean grain area. The final shape of the MDF and value of the prefactor k in the power growth law clearly correlate with the misorientation dependence of the grain boundary energy. From a quantitative point of view, the fraction of special boundaries obtained in simulations is quite sensitive to the number of possible discrete orientations. Furthermore, a mean field approach is worked out to predict the growth exponent for systems with nonuniform grain boundary energy. The conclusions from the mean field approach are consistent with the simulation results.Physic

Stiffness of the Crystal-Liquid Interface in a Hard-Sphere Colloidal System Measured from Capillary Fluctuations

Face-centered cubic single crystals of $σ=1.55 μm$ diameter hard-sphere silica colloidal particles were prepared by sedimentation onto (100) and (110) oriented templates. The crystals had a wide interface with the overlaying liquid that was parallel to the template. The location of the interface was determined by confocal microscopic location of the particles, followed by identification of the crystalline and liquid phases by a bond-orientation order parameter. Fluctuations in the height of the interface about its average position were recorded for several hundred configurations. The interfacial stiffness $γ̃$ was determined from the slope of the inverse squared Fourier components of the height profile vs the square of the wave number, according to the continuum capillary fluctuation method. The offset of the fit from the origin could quantitatively be accounted for by gravitational damping of the fluctuations. For the (100) interface, $γ̃ =(1.3±0.3)k_{B}T/σ^{2}$; for the (110) interface, $γ̃ =(1.0±0.2)k_{B}T/σ^{2}$. The interfacial stiffness of both interfaces was found to be isotropic in the plane. This is surprising for the (110), where crystallography predicts twofold symmetry. Sedimentation onto a (111) template yielded a randomly stacked hexagonal crystal with isotropic $γ̃ =0.66k_{B}T/σ^{2}$. This value, however, is less reliable than the two others due to imperfections in the crystal.Engineering and Applied SciencesPhysic

Plastic deformations in crystal, polycrystal, and glass in binary mixtures under shear: Collective yielding

Using molecular dynamics simulation, we examine the dynamics of crystal, polycrystal, and glass in a Lennard-Jones binary mixture composed of small and large particles in two dimensions. The crossovers occur among these states as the composition c is varied at fixed size ratio. Shear is applied to a system of 9000 particles in contact with moving boundary layers composed of 1800 particles. The particle configurations are visualized with a sixfold orientation angle alpha_j(t) and a disorder variable D_j(t) defined for particle j, where the latter represents the deviation from hexagonal order. Fundamental plastic elements are classified into dislocation gliding and grain boundary sliding. At any c, large-scale yielding events occur on the acoustic time scale. Moreover, they multiply occur in narrow fragile areas, forming shear bands. The dynamics of plastic flow is highly hierarchical with a wide range of time scales for slow shearing. We also clarify the relationship between the shear stress averaged in the bulk region and the wall stress applied at the boundaries.Comment: 17 pages, 15 figures, to appear in Physical Review

Experimental Observation of the Crystallization of Hard-Sphere Colloidal Particles by Sedimentation onto Flat and Patterned Surfaces

We present a confocal microscopy study of 1.55micrometers monodisperse silica hard spheres as they sediment and crystallize at the bottom wall of a container. If the particles sediment onto a featureless flat wall, the two bottom layers crystallize simultaneously and layerwise growth follows. If the wall is replaced by a hexagonal template, only layerwise growth occurs. Our results complement earlier numerical simulations and experiments on other colloidal systems.Physic

Crystallization of undercooled liquid fenofibrate

Formulation of hydrophobic drugs as amorphous materials is highly advantageous as this increases their solubility in water and therefore their bioavailability. However, many drugs have a high propensity to crystallize during production and storage, limiting the usefulness of amorphous drugs. We study the crystallization of undercooled liquid fenofibrate, a model hydrophobic drug. Nucleation is the rate-limiting step; once seeded with a fenofibrate crystal, the crystal rapidly grows by consuming the undercooled liquid fenofibrate. Crystal growth is limited by the incorporation of molecules into its surface. As nucleation and growth both entail incorporation of molecules into the surface, this process likely also limits the formation of nuclei and thus the crystallization of undercooled liquid fenofibrate, contributing to the good stability of undercooled liquid fenofibrate against crystallization