The mechanisms of deformation under a nanoindentation in tantalum, chosen as a model body-centered cubic (bcc) metal, are identified and quantified. Molecular dynamics (MD) simulations and indentation experiments are conducted for [1 0 0], [1 1 0] and [1 1 1] normals to surface orientations. The simulated plastic deformation proceeds by the formation of nanotwins, which rapidly evolve into shear dislocation loops. It is shown through a dislocation analysis that an elementary twin (three layers) is energetically favorable for a diameter below $7 nm, at which point a shear loop comprising a perfect dislocation is formed. MD simulations show that shear loops expand into the material by the advancement of their edge components. Simultaneously with this advancement, screw components of the loop cross-slip and generate a cylindrical surface. When opposite segments approach, they eventually cancel by virtue of the attraction between them, forming a quasi-circular prismatic loop composed of edge dislocation segments. This "lasso"-like mechanism by which a shear loop transitions to a prismatic loop is identified for both [0 0 1] and [1 1 1] indentations. The prismatic loops advance into the material along h1 1 1i directions, transporting material away from the nucleation site. Analytical calculations supplement MD and experimental observations, and provide a framework for the improved understanding of the evolution of plastic deformation under a nanoindenter. Dislocation densities under the indenter are estimated experimentally ($1.2 Â 10 15 m À2 ), by MD ($7 Â 10 15 m À2 ) and through an analytical calculation (2.6-19 Â 10 15 m À2 ). Considering the assumptions and simplifications, this agreement is considered satisfactory. MD simulations also show expected changes in pile-up symmetry after unloading, compatible with crystal plasticity.

We examine the effect of grain size on the dynamic failure tantalum during laser-shock compression and release and identify a significant effect of grain size on spall strength,which is opposite the prediction of the Hall-Petch relationship: monocrystals have a higher spall strength than polycrystals, which, in turn, are stronger in tension than ultrafine grain sized specimens. Post-shock characterization reveals ductile failure which evolves by void nucleation, growth, and coalescence. Whereas in the monocrystal the voids grow in the interior, nucleation is both intra and intergranular in the poly and UFG crystals. The fact that spall is primarily intergranular in both poly and nanocrystalline samples is strong evidence for higher growth rates of intergranular voids, which have a distinctly oblate spheroid shape in contrast with intragranular voids, which are more spherical. Consistent with prior literature and theory we also identify an increase with spall strength with strain rate from 6x10 6 to 5x10 7 s-1. Molecular dynamics calculations agree with the experimental results and also predict grain-boundary separation in the spalling of polycrystals as well as an increase in spall strength with strain rate. An analytical model based on the kinetics of nucleation and growth of intra and intergranular voids and extending the

Plasticity is often controlled by dislocation motion, which was first measured for low pressure, low strain rate conditions decades ago. However, many applications require knowledge of dislocation motion at high stress conditions where the data are sparse, and come from indirect measurements dominated by the effect of dislocation density rather than velocity. Here we make predictions based on atomistic simulations that form the basis for a new approach to measure dislocation velocities directly at extreme conditions using three steps: create prismatic dislocation loops in a near-surface region using nanoindentation, drive the dislocations with a shockwave, and use electron microscopy to determine how far the dislocations moved and thus their velocity at extreme stress and strain rate conditions. We report on atomistic simulations of tantalum that make detailed predictions of dislocation flow, and find that the approach is feasible and can uncover an exciting range of phenomena, such as transonic dislocations and a novel form of loop stretching. The simulated configuration enables a new class of experiments to probe average dislocation velocity at very high applied shear stress.

The use of high-power pulsed lasers to probe the response of materials at pressures of hundreds of GPa up to several TPa, time durations of nanoseconds, and strain rates of 10 6-10 10 s-1 is revealing novel mechanisms of plastic deformation, phase transformations, and even amorphization. This unique experimental tool, aided by advanced diagnostics, analysis, and characterization, allows us to explore these new regimes that simulate those encountered in the interiors of planets. Fundamental Materials Science questions such as dislocation velocity regimes, the transition between thermally-activated and phonon drag regimes, the slip-twinning transition, the ultimate tensile strength of metals, the dislocation mechanisms of void growth are being answered through this powerful tool. In parallel with experiments, molecular dynamics simulations provide modeling and visualization at comparable strain rates (10 8-10 10 s-1) and time durations (hundreds of picoseconds). This powerful synergy is illustrated in our past and current work, using representative face-centered cubic (fcc) copper, body-centered cubic (bcc) tantalum and diamond cubic silicon as model structures.