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 ...

Micro-scale laser shock peening LSP can potentially be applied to metallic structures in microdevices to improve fatigue and reliability performance. Copper thin films on a single-crystal silicon substrate are treated by using LSP and characterized using techniques of X-ray microdiffraction and electron backscatter diffraction (EBSD). Strain field, dislocation density, and microstructure change...

Abstract--The aim of this work is the consideration of so-called non-Schmid effects within nonassociated single crystal plasticity at small strains. To this end, two additional activating mechanisms for dislocation flow on a slip system are modelled. For convenience the corresponding algorithmic setting is discussed in the sequel. Next, the influence of non-Schmid effects and non-associativity ...

Calmodulin (CaM) is a highly conserved eukaryotic protein that binds specifically to more than 100 target proteins in response to calcium (Ca(2+)) signal. CaM adopts a considerable degree of structural plasticity to accomplish this physiological role; however, the nature and extent of this plasticity remain to be fully understood. Here, we report the crystal structure of a novel trans conformat...