Substituting steel for a polymer in a jar for ball milling does matter

Usually, in situ diffraction studies of mechanochemical transformations use plastic milling jars in place of steel. This is done to reduce the absorbtion of radiation by the walls. Using as an example the polymorphic transformation of β-glycine, we show that the transformation rate can vary significantly depending on the material of the jars. Using ex situ analysis we here compare the transformation rates in steel and common plastics such as acrylonitrile butadiene styrene, polylactic acid, and polyethylene terephthalate glycol.

Exploring cooperative porosity in organic cage crystals using in situ diffraction and molecular simulations

A porous organic cage crystal, α-CC2, shows unexpected adsorption of sulphur hexafluoride (SF6) in its cage cavities, which was investigated and rationalized using in situ diffraction and molecular simulations.

Cooperative Light-Induced Breathing of Soft Porous Crystals via Azobenzene Buckling

Although light is a prominent stimulus for smart materials, the application of photoswitches as light-responsive triggers for phase transitions of porous materials remains poorly explored. Here we incorporate an azobenzene photoswitch in the backbone of a metal-organic framework producing light-induced structural contraction of the porous network in parallel to gas adsorption. Light-stimulation enables non-invasive spatiotemporal control over the mechanical properties of the framework, which ultimately leads to pore contraction and subsequent guest release via negative gas adsorption. The complex mechanism of light-gated breathing is established by a series of in situ diffraction and spectroscopic experiments, supported by quantum mechanical and molecular dynamic simulations. Unexpectedly, this study identifies a novel light-induced deformation mechanism of constrained azobenzene photoswitches relevant to the future design of light-responsive materials.

Cooperative Light-Induced Breathing of Soft Porous Crystals via Azobenzene Buckling

Although light is a prominent stimulus for smart materials, the application of photoswitches as light-responsive triggers for phase transitions of porous materials remains poorly explored. Here we incorporate an azobenzene photoswitch in the backbone of a metal-organic framework producing light-induced structural contraction of the porous network in parallel to gas adsorption. Light-stimulation enables non-invasive spatiotemporal control over the mechanical properties of the framework, which ultimately leads to pore contraction and subsequent guest release via negative gas adsorption. The complex mechanism of light-gated breathing is established by a series of in situ diffraction and spectroscopic experiments, supported by quantum mechanical and molecular dynamic simulations. Unexpectedly, this study identifies a novel light-induced deformation mechanism of constrained azobenzene photoswitches relevant to the future design of light-responsive materials.

Determination of Temperature-Dependent Elastic Constants of Steel AISI 4140 by Use of In Situ X-ray Dilatometry Experiments

In situ dilatometry experiments using high energy synchrotron X-ray diffraction in transmission mode were carried out at the high energy material science beamline P07@PETRAIII at DESY (Deutsches Elektronen Synchrotron) for the tempering steel AISI 4140 at defined mechanical loading. The focus of this study was on the initial tempering state ( f e r r i t e ) and the hardened state ( m a r t e n s i t e ). Lattice strains were calculated from the 2D diffraction data for different h k l planes and from those temperature-dependent lattice plane specific diffraction elastic constants ( D E C s ) were determined. The resulting coupling terms allow for precise stress analysis for typical hypoeutectoid steels using diffraction data during heat treatment processes, that is, for in situ diffraction studies during thermal exposure. In addition, by averaging h k l specific Y o u n g ′ s m o d u l i and P o i s s o n r a t i o s macroscopic temperature-dependent elastic constants were determined. In conclusion a novel approach for the determination of phase-specific temperature-dependent DECs was suggested using diffraction based dilatometry that provides more reliable data in comparison to conventional experimental procedures. Moreover, the averaging of lattice plane specific results from in situ diffraction analysis supply robust temperature-dependent macroscopic elastic constants for martensite and ferrite as input data for heat treatment process simulations.

The Influence of Alloy Composition and Liquid Phase on Foaming of Al–Si–Mg Alloys

The foaming behaviour of aluminium alloys processed by the powder compaction technique depends crucially on the exact alloy composition. The AlSi8Mg4 alloy has been in use for a decade now, and it has been claimed that this composition lies in an “island of good foaming”. We investigated the reasons for this by systematically studying alloys around this composition by varying the Mg and Si content by a few percent. We applied in situ X-ray 2D and 3D imaging experiments combined with a quantitative nucleation number and expansion analysis, X-ray tomography of solid foams to assess the pore structure and pore size distribution, and in situ diffraction experiments to quantify the melt fraction at any moment. We found a correlation between melt fraction and expansion height and verified that the “island of good foaming” actually exists, and foams outside a preferred range for the liquid fraction—just above TS and between 40–60%—show a poorer expansion performance than the reference alloy AlSi8Mg4. A very slight increase of Si and decrease of Mg content might further improve this foam.