Slip energy barriers in aluminum and implications for ductile versus brittle behavior

We conisder the brittle versus ductile behavior of aluminum in the framework of the Peierls-model analysis of dislocation emission from a crack tip. To this end, we perform first-principles quantum mechanical calculations for the unstable stacking energy $\gamma_{us}$ of aluminum along the Shockley partial slip route. Our calculations are based on density functional theory and the local density approximation and include full atomic and volume relaxation. We find that in aluminum $\gamma_{us} = 0.224$ J/m$^2$. Within the Peierls-model analysis, this value would predict a brittle solid which poses an interesting problem since aluminum is typically considered ductile. The resolution may be given by one of three possibilites: (a) Aluminum is indeed brittle at zero temperature, and becomes ductile at a finite temperature due to motion of pre-existing dislocations which relax the stress concentration at the crack tip. (b) Dislocation emission at the crack tip is itself a thermally activated process. (c) Aluminum is actually ductile at all temperatures and the theoretical model employed needs to be significantly improved in order to resolve the apparent contradiction.Comment: 4 figures (not included; send requests to [email protected]

Simulation of Plasticity in Nanocrystalline Silicon

Molecular dynamics investigation of plasticity in a model nanocrystalline silicon system demonstrates that inelastic deformation localizes in intergranular regions. The carriers of plasticity in these regions are atomic environments that can be described as high-density liquid-like amorphous silicon. During fully developed flow, plasticity is confined to system-spanning intergranular zones of easy flow. As an active flow zone rotates out of the plane of maximum resolved shear stress during deformation to large strain, new zones of easy flow are formed. Compatibility of the microstructure is accommodated by processes such as grain rotation and formation of new grains. Nano-scale voids or cracks may form if there emerge stress concentrations that cannot be relaxed by a mechanism that simultaneously preserves microstructural compatibility

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

Dynamics of Viscoplastic Deformation in Amorphous Solids

We propose a dynamical theory of low-temperature shear deformation in amorphous solids. Our analysis is based on molecular-dynamics simulations of a two-dimensional, two-component noncrystalline system. These numerical simulations reveal behavior typical of metallic glasses and other viscoplastic materials, specifically, reversible elastic deformation at small applied stresses, irreversible plastic deformation at larger stresses, a stress threshold above which unbounded plastic flow occurs, and a strong dependence of the state of the system on the history of past deformations. Microscopic observations suggest that a dynamically complete description of the macroscopic state of this deforming body requires specifying, in addition to stress and strain, certain average features of a population of two-state shear transformation zones. Our introduction of these new state variables into the constitutive equations for this system is an extension of earlier models of creep in metallic glasses. In the treatment presented here, we specialize to temperatures far below the glass transition, and postulate that irreversible motions are governed by local entropic fluctuations in the volumes of the transformation zones. In most respects, our theory is in good quantitative agreement with the rich variety of phenomena seen in the simulations.Comment: 16 pages, 9 figure

Shear-Induced Stress Relaxation in a Two-Dimensional Wet Foam

We report on experimental measurements of the flow behavior of a wet, two-dimensional foam under conditions of slow, steady shear. The initial response of the foam is elastic. Above the yield strain, the foam begins to flow. The flow consists of irregular intervals of elastic stretch followed by sudden reductions of the stress, i.e. stress drops. We report on the distribution of the stress drops as a function of the applied shear rate. We also comment on our results in the context of various two-dimensional models of foams

Velocity Profiles in Slowly Sheared Bubble Rafts

Measurements of average velocity profiles in a bubble raft subjected to slow, steady-shear demonstrate the coexistence between a flowing state and a jammed state similar to that observed for three-dimensional foams and emulsions [Coussot {\it et al,}, Phys. Rev. Lett. {\bf 88}, 218301 (2002)]. For sufficiently slow shear, the flow is generated by nonlinear topological rearrangements. We report on the connection between this short-time motion of the bubbles and the long-time averages. We find that velocity profiles for individual rearrangement events fluctuate, but a smooth, average velocity is reached after averaging over only a relatively few events.Comment: typos corrected, figures revised for clarit

Strain Hardening of Polymer Glasses: Entanglements, Energetics, and Plasticity

Simulations are used to examine the microscopic origins of strain hardening in polymer glasses. While stress-strain curves for a wide range of temperature can be fit to the functional form predicted by entropic network models, many other results are fundamentally inconsistent with the physical picture underlying these models. Stresses are too large to be entropic and have the wrong trend with temperature. The most dramatic hardening at large strains reflects increases in energy as chains are pulled taut between entanglements rather than a change in entropy. A weak entropic stress is only observed in shape recovery of deformed samples when heated above the glass transition. While short chains do not form an entangled network, they exhibit partial shape recovery, orientation, and strain hardening. Stresses for all chain lengths collapse when plotted against a microscopic measure of chain stretching rather than the macroscopic stretch. The thermal contribution to the stress is directly proportional to the rate of plasticity as measured by breaking and reforming of interchain bonds. These observations suggest that the correct microscopic theory of strain hardening should be based on glassy state physics rather than rubber elasticity.Comment: 15 pages, 12 figures: significant revision

Discovery of 6.035GHz Hydroxyl Maser Flares in IRAS18566+0408

We report the discovery of 6.035GHz hydroxyl (OH) maser flares toward the massive star forming region IRAS18566+0408 (G37.55+0.20), which is the only region known to show periodic formaldehyde (4.8 GHz H2CO) and methanol (6.7 GHz CH3OH) maser flares. The observations were conducted between October 2008 and January 2010 with the 305m Arecibo Telescope in Puerto Rico. We detected two flare events, one in March 2009, and one in September to November 2009. The OH maser flares are not simultaneous with the H2CO flares, but may be correlated with CH3OH flares from a component at corresponding velocities. A possible correlated variability of OH and CH3OH masers in IRAS18566+0408 is consistent with a common excitation mechanism (IR pumping) as predicted by theory.Comment: Accepted for publication in the Astrophysical Journa

Micro-plasticity and intermittent dislocation activity in a simplified micro structural model

Here we present a model to study the micro-plastic regime of a stress-strain curve. In this model an explicit dislocation population represents the mobile dislocation content and an internal shear-stress field represents a mean-field description of the immobile dislocation content. The mobile dislocations are constrained to a simple dipolar mat geometry and modelled via a dislocation dynamics algorithm, whilst the shear-stress field is chosen to be a sinusoidal function of distance along the mat direction. The latter, defined by a periodic length and a shear-stress amplitude, represents a pre-existing micro-structure. These model parameters, along with the mobile dislocation density, are found to admit a diversity of micro-plastic behaviour involving intermittent plasticity in the form of a scale-free avalanche phenomenon, with an exponent for the strain burst magnitude distribution similar to those seen in experiment and more complex dislocation dynamics simulations.Comment: 30 pages, 12 figures, to appear in "Modelling and Simulation in Materials Science and Engineering

Sheared Solid Materials

We present a time-dependent Ginzburg-Landau model of nonlinear elasticity in solid materials. We assume that the elastic energy density is a periodic function of the shear and tetragonal strains owing to the underlying lattice structure. With this new ingredient, solving the equations yields formation of dislocation dipoles or slips. In plastic flow high-density dislocations emerge at large strains to accumulate and grow into shear bands where the strains are localized. In addition to the elastic displacement, we also introduce the local free volume {\it m}. For very small $m$ the defect structures are metastable and long-lived where the dislocations are pinned by the Peierls potential barrier. However, if the shear modulus decreases with increasing {\it m}, accumulation of {\it m} around dislocation cores eventually breaks the Peierls potential leading to slow relaxations in the stress and the free energy (aging). As another application of our scheme, we also study dislocation formation in two-phase alloys (coherency loss) under shear strains, where dislocations glide preferentially in the softer regions and are trapped at the interfaces.Comment: 16pages, 11figure