Plastic deformation of polyethylene crystals by dislocation motion

Solvent-free polyethylene single crystals were plastically deformed by depositing the crystals on carbon replicas obtained from the surfaces of deformed copper single crystals. The observations by transmission electron microscopy suggest that plastic shear parallel to the molecular chains of the polyethylene crystals ([001]-direction) occurs by the movement of dislocations the Burgers vector of which is parallel to the [001]-direction.  

Atomic structure and structural stability of Sc75Fe25 nanoglasses

Nanoglasses are solids consisting of nanometer-sized glassy regions connected by interfaces having a reduced density. We studied the structure of Sc(75)Fe(25) nanoglasses by electron microscopy, positron annihilation spectroscopy, and small-/wide-angle X-ray scattering. The positron annihilation spectroscopy measurements showed that the as-prepared nanoglasses consisted of 65 vol% glassy and 35 vol% interfacial regions. By applying temperature annealing to the nanoglasses and measuring in situ small-angle X-ray scattering, we observed that the width of the interfacial regions increased exponentially as a function of the annealing temperature. A quantitative fit to the small-angle X-ray scattering data using a Debye-Bueche random phase model gave a correlation length that is related to the sizes of the interfacial regions in the nanoglass. The correlation length was found to increase exponentially from 1.3 to 1.7 nm when the sample temperature was increased from 25 to 230 °C. Using simple approximations, we correlate this to an increase in the width of interfacial regions from 0.8 to 1.2 nm, while the volume fraction of interfacial regions increased from 31 to 44%. Using micro-compression measurements, we investigated the deformation behavior of ribbon glass and the corresponding nanoglass. While the nanoglass exhibited a remarkable plasticity even in the annealed state owing to the glass-glass interfaces, the corresponding ribbon glass was brittle. As this difference seems not limited to Sc(75)Fe(25) glasses, the reported result suggest that nanoglasses open the way to glasses with high ductility resulting from the nanometer sized microstructure.  

Combined atomistic and mesoscale simulation of grain growth in nanocrystalline thin films

We have combined molecular-dynamics (MD) simulations with mesoscale simulations to elucidate the mechanism and kinetics of grain growth in nanocrystalline palladium with a columnar grain structure. The conventional picture of grain growth assumes that the process is governed by curvature-driven grain-boundary (GB) migration. Our MD simulations demonstrate that, at least in a nanocrystalline material, grain growth can also be triggered by the coordinated rotations of neighboring grains so as to eliminate the common GB between them. Such rotation–coalescence events result in the formation of highly elongated, unstable grains which then grow via the GB migration mechanism. These insights can be incorporated into mesoscale simulations in which, instead of the atoms, the objects that evolve in space and time are discretized GBs, grain junctions and the grain orientations, with a time scale controlled by that associated with grain rotation and GB migration and with a length scale given by the grain size. These mesoscale simulations, with physical insight and input materials parameters obtained by MD simulation, enable the investigation of the topology and long-time grain-growth behavior in a physically more realistic manner than via mesoscale simulations alone.