Deformation twinning in pure aluminum has been considered to be a unique property of nanostructured aluminum. A lingering mystery is whether deformation twinning occurs in coarse-grained or single-crystal aluminum, at scales beyond nanotwins. Here, we present the first experimental demonstration of macro deformation twins in single-crystal aluminum formed under ultrahigh strain-rate (∼10 6 s −1 ), large shear strain (200%) via dynamic equal channel angular pressing. Deformation twinning is rooted in the rate dependences of dislocation motion and twinning, which are coupled, complementary processes during severe plastic deformation under ultrahigh strain rates.When we talk about crystal deformation, what do we actually talk about? Crystal defects [1]. Crystal defects such as dislocations (line defects) and twins (planar defects) play a critical role in plastic deformation and ultimately govern the multifarious mechanical behaviors of many crystalline materials [2,3]. While both dislocation slip and deformation twinning are dependent on an intrinsic material property -stacking fault energy [4,5] (SFE), their sensitivities to SFE differ considerably. A notable example is pure aluminum, a typical face-centered cubic (fcc) metal with high SFE (104-142 mJ m −2 ) [6], in which deformation twinning rarely occurs even deformed at low temperatures and/or at high strain rates [7,8]. This rareness of deformation twinning in such materials is normally attributed to the following two reasons: (i) a large number of slip systems in fcc metals render dislocation slip a very efficient deformation mode [9,10], and (ii) the nucleation of twinning partial dislocations require much higher shear stresses than trailing partial dislocations due to the high unstable twin fault energy [11]. Searching for macro deformation twins in pure aluminum and revealing the underlying mechanisms have been of sustained interest in the past decade.Molecular dynamics (MD) simulations first predicted that nanoscale deformation twins can nucleate under high tensile stress (2.5 GPa) and high strain rate (10 7 s −1 ) in nanograined aluminum [6,12], and subsequent experiments confirmed this prediction in nanograined aluminum films under different kinds of severe plastic deformation (SPD) [13][14][15]. One explanation was proposed based on classical dislocation theory [16]: when grain size decreases to tens of nanometers, normal dislocation activities are greatly suppressed by the high fraction of grain boundaries (GBs); as a result, deformation twinning takes over as the dominant deformation mechanism [13]. Besides nanograin size effect, many simulation and experimental studies suggest that deformation twinning prefers to occur at high strain rates in fcc metals [17,18]. This rate-dependent twinning mechanism has been corrobarated by a very recent experiment on pure aluminum with comparatively large nanograins (50-100 nm) [19]. However, there has been no solid evidence for deformation twinning in single-crystal or coarse-grained pure aluminum. It is natural ...

Strength and ductility are mutually exclusive if they are manifested as consequence of the coupling between strengthening and toughening mechanisms. One notable example is dislocation strengthening in metals, which invariably leads to reduced ductility. However, this trend is averted in metastable austenitic steels. A one-step thermal mechanical treatment (TMT), i.e. hot rolling, can effectively enhance the yielding strength of the metastable austenitic steel from 322 ± 18 MPa to 675 ± 15 MPa, while retaining both the formability and hardenability. It is noted that no boundaries are introduced in the optimized TMT process and all strengthening effect originates from dislocations with inherited thermal stability. The success of this method relies on the decoupled strengthening and toughening mechanisms in metastable austenitic steels, in which yield strength is controlled by initial dislocation density while ductility is retained by the capability to nucleate new dislocations to carry plastic deformation. Especially, the simplicity in processing enables scaling and industrial applications to meet the challenging requirements of emissions reduction. On the other hand, the complexity in the underlying mechanism of dislocation strengthening in this case may shed light on a different route of material strengthening by stimulating dislocation activities, rather than impeding motion of dislocations.

We investigate shock response of single crystal and nanocrystalline pentaerythritol tetranitrate (PETN) with a coarse-grained model and molecular dynamics simulations, as regards mechanical hotspot formation in the absence or presence of grain boundaries (GBs). Single crystals with different orientations, and columnar nanocrystalline PETN with regular hexagonal, irregular hexagonal, and random GB patterns, are subjected to shock loading at different shock strengths. In single crystals, shock-induced plasticity is consistent with resolved shear stress calculations and the steric hindrance model, and this deformation leads to local heating. For regular-shaped hexagonal columnar nanocrystalline PETN, different misorientation angles lead to activation of different/same slip systems, different deformation in individual grains and as a whole, different GB friction, different temperature distributions, and then, different hotspot characteristics. Compared to their regular-shaped hexagonal counterpart, nanocrystalline PETN with irregular hexagonal GB pattern and that with random GBs, show deformation and hotspot features specific to their GBs. Driven by stress concentration, hotspot formation is directly related to GB friction and GB-initiated crystal plasticity, and the exact deformation is dictated by grain orientations and resolved shear stresses. GB friction alone can induce hotspots, but the hotspot temperature can be enhanced if it is coupled with GB-initiated crystal plasticity, and the slip of GB atoms has components out of the GB plane. The magnitude of shearing can correlate well with temperature, but the slip direction of GB atoms relative to GBs may play a critical role. Wave propagation through varying microstructure may also induce differences in stress states (e.g., stress concentrations) and loading rates, and thus, local temperature rise. GBrelated friction and plasticity induce local heating or mechanical hotspots, which could be precursors to chemical hotspot formation related to initiation in energetic materials, in the absence of other, likely more effective, means for hotspot formation such as void collapse. © 2013 AIP Publishing LLC. [http://dx

Elastic superlattices with simultaneously negative effective mass density and shear modulus J. Appl. Phys. 113, 093508 (2013) Identifying local characteristic lengths governing sound wave properties in solid foams J. Appl. Phys. 113, 084905 (2013) A semi-phenomenological model to predict the acoustic behavior of fully and partially reticulated polyurethane foams J. Appl. Phys. 113, 054901 (2013) Tracking all-vapor instant gas-hydrate formation and guest molecule populations: A possible probe for molecules trapped in water nanodroplets J. Chem. Phys. 137, 204501 (2012) Nanoxerography utilizing bipolar charge patterns Appl. Phys. Lett. 101, 203106 (2012) Additional information on J. Appl. Phys. Using large-scale molecular dynamics simulations, we investigate shock response of a model Cu nanofoam with cylindrical voids and a high initial porosity (50% theoretical density), including elastic and plastic deformation, Hugoniot states, shock-induced melting, partial or complete void collapse, nanojetting, and hotspot formation. The elastic-plastic and overtaking shocks are observed at different shock strengths. The simulated Hugoniot states can be described with a modified, power-law P À a (pressure-porosity) model, and agree with shock experiments on Cu powders, as well as the compacted Hugoniot predicted with the Gr€ uneisen equation of state. Shock-induced melting shows no clear signs of bulk premelting or superheating. Voids collapse via plastic flow nucleated from voids, and the exact processes are shock strength dependent. With increasing shock strengths, void collapse transits from the "geometrical" mode (collapse of a void is dominated by crystallography and void geometry and can be different from that of one another) to "hydrodynamic" mode (collapse of a void is similar to one another); the collapse may be achieved predominantly by flow along the {111} slip planes, by way of alternating compression and tension zones, by means of transverse flows, via forward and transverse flows, or through forward nanojetting. The internal jetting induces pronounced shock front roughening, leading to internal hotspot formation and sizable high speed jets on atomically flat free surfaces.

Using molecular dynamics simulations combined with the embedded atom method potential, we investigate the heating, cooling, and energetic reacting of core-shell structured Al-Cu nanoparticles. The thermodynamic properties and structure evolution during continuous heating and cooling processes are also investigated through the characterization of the total potential energy distribution, mean-square-distance and radial distribution function. Some behaviors related to nanometer scale Cu/Al functional particles are derived that two-way diffusion of Al and Cu atoms, glass phase formation for the fast cooling rate, and the crystal phase formation for the low cooling rate. Two-way atomic diffusion occurs first and causes the melting and alloying. In the final alloying structure, Cu and Al atoms mixed very well except for the outmost shell which has more Al atoms. For the investigation of the thermal stability and energetic reaction properties, our study show that a localized alloying reaction between the Al core and Cu shell is very slow when the initial temperature is lower than 600 K. But a two-stage reaction may occur when the initial temperature is 700 K. The reaction rate is determined by the solid-state diffusion of Al atoms in the Cu shell at the first stage, yet the reaction rate is much faster at the second stage, due to the alloying reaction between the liquid Al core and the Cu shell. At higher temperatures such as 800 K and 900 K, the alloying reaction occurs directly between the liquid Al core and the Cu shell.

We investigate shock-induced deformation of columnar nanocrystalline Al with large-scale molecular dynamics simulations and implement orientation mapping (OM) and selected area electron diffraction (SAED) for microstructural analysis. Deformation mechanisms include stacking fault formation, pronounced twinning, dislocation slip, grain boundary (GB) sliding and migration, and lattice or partial grain rotation. GBs and GB triple junctions serve as the nucleation sites for crystal plasticity including twinning and dislocations, due to GB weakening, and stress concentrations. Grains with different orientations exhibit different densities of twins or stacking faults nucleated from GBs. GB migration occurs as a result of differential deformation between two grains across the GB. High strain rates, appropriate grain orientation and GBs contribute to deformation twinning. Upon shock compression, intra-grain dislocation and twinning nucleated from GBs lead to partial grain rotation and the formation of subgrains, while whole grain rotation is not observed. During tension, stress gradients associated with the tensile pulse give rise to intra-grain plasticity and then partial grain rotation. The simulated OM and SAED are useful to describe lattice/grain rotation, the formation of subgrains, GB migration and other microstructures.

We investigate shock-induced melting in honeycomb-shaped Cu nanofoams with extensive molecular dynamics simulations. A total of ten porosities (/) are explored, ranging from 0 to 0.9 at an increment of 0.1. Upon shock compression, void collapse leads to local melting followed by supercooling at low shock strengths. Superheating occurs at / 0:1. Both supercooling of melts and superheating of solid remnants are transient, and the equilibrated shock states eventually fall on the equilibrium melting curve for partial melting. However, phase equilibrium has not been achieved on the time scale of simulations in supercooled Cu liquid (from completely melted nanofoams). The temperatures for incipient and complete melting are related to porosity via a power law, ð1 À /Þ k , and approach the melting temperature at zero pressure as / ! 1. V C 2015 AIP Publishing LLC.

Solid-liquid phase transitions in single crystal Cu during shock and subsequent release are studied with large-scale classical molecular dynamics simulations. During shock compression, although the equilibrium states far behind shock front converge to the same Hugoniot, the pathways from metastable states right behind the shock front to the final equilibrium states and the resulting microstructures are orientation-dependent. Premelting is followed by recrystallization of supercooled melt into a polycrystalline solid for the [110] and [111] shocks, and a superheated, more ordered, solid is observed prior to shock melting for the [100] shock. The differences in the microstructure in the behind-shock region in turn give rise to different release melting behaviors (including premelting and superheating) along different release paths for these loading orientations.