Related papers: Reversible grain boundary complexion transition ex…
The structure and energy of grain boundaries (GBs) are essential for predicting the properties of polycrystalline materials. In this work, we use high-throughput density functional theory calculations workflow to construct the Grain…
Defects ubiquitously exist in crystal materials and usually exhibit a very different nature than the bulk matrix, and hence, their presence can have significant impacts on the properties of devices. Although it is well accepted that the…
We utilize a chemical equilibrium code in order to study the condensation process which occurs in protoplanetary discs during the formation of the first solids. The model specifically focuses on the thermodynamic behaviour on the solid…
Grain boundary networks should play a dominant role in determining the mechanical properties of nanocrystalline metals. However, these networks are difficult to characterize and their response to deformation is incompletely understood. In…
Grain boundary sliding (GBS) is a key deformation mechanism at high homologous temperatures in polycrystalline materials, however, its intrinsic behavior is often obscured by additional strain accommodation processes. In this study,…
Oxygen vacancy formation energies play a major role in the electric field assisted abnormal grain growth of technologically relevant polycrystalline perovskite phases. The underlying effect on the atomic scale is assumed to be a…
Germanates are often used as structural analogs of planetary silicates. We have explored the high-pressure phase relations in Mg$_2$GeO$_4$ using diamond anvil cell experiments combined with synchrotron x-ray diffraction and computations…
Tables of mean opacities are often used to compute the transfer of radiation in a variety of astrophysical simulations from stellar evolution models to proto-planetary disks. Often tables, such as Ferguson et al. (2005), are computed with a…
Grain boundaries have extensive influence on the performance of crystal materials. However, the atomic-scale structure and its relation with local and crystallographic symmetries remain elusive in low-symmetry crystals. Herein, we find that…
Young planetary-mass objects and brown dwarfs near the L/T spectral transition exhibit enhanced spectrophotometric variability over field brown dwarfs. Patchy clouds, auroral processes, stratospheric hot spots, and complex carbon chemistry…
A systematic investigation is presented of grain boundaries and grain boundary networks in two dimensional flexible membranes with crystalline order. An isolated grain boundary undergoes a buckling transition at a critical value of the…
Grain boundaries affect properties of polycrystalline materials. The influence of a boundary is largely determined by its energy. Grain boundary energy is often portrayed as a function of macroscopic boundary parameters representing grain…
The structure and evolution of grain boundaries underlies the nature of polycrystalline materials. Here we describe an experimental apparatus and light reflection technique for measuring disorder at grain boundaries in optically clear…
Atomic migration from metallic contacts, and subsequent filament formation, is recognised as a prevailing mechanism leading to resistive switching in memristors based on two-dimensional materials (2DMs). This study presents a detailed…
We present 8--13 micron low resolution spectra (R~100) of 8 low-mass protostellar objects ("proplyds") in the Orion Nebula using the Long Wavelength Spectrometer (LWS) at the W. M. Keck Observatory. All but one of the sources in our sample…
First principles linear response calculations are used to investigate the lattice dynamics of what is thought to be the third most abundant phase in the lower mantle, CaSiO_3 perovskite. The commonly assumed cubic structure (Pm3m) is found…
In dense molecular clouds, interstellar grains are covered by mantles of iced molecules. The formation of the grain mantles has two important consequences: it removes species from the gas phase and promotes the synthesis of new molecules on…
Spectra of OH/IR stars show prominent spectral bands of crystalline olivine (Mg$_{(2-2x)}$Fe$_{(2x)}$SiO$_{4}$). To learn more about the timescale of the outflows of OH/IR stars, we study the spectral band of crystalline olivine at 69…
Context. Dust grains in circumstellar envelopes are likely to have a spread-out temperature distribution. Aims. To investigate how trends in temperature distribution between small and large grains affect the hot corino chemistry of complex…
Grain boundary (GB) migration plays a crucial role in the thermal and mechanical responses of polycrystalline materials, particularly in ultrafine-grained and nano-grained materials exhibiting grain size-dependent properties. This study…