Scaling behaviour has been observed at mesoscopic level irrespective of crystal structure, type of boundary and operative micro-mechanisms like slip and twinning. The presence of scaling at the meso-scale accompanied with that at the nano-scale clearly demonstrates the intrinsic spanning for different deformation processes and a true universal nature of scaling. The origin of a ½ power law in d...

Powder diffraction is a major component of any condensed matter scientist’s arsenal, providing the investigator a way to directly map the location of atoms inside of a material. The most common diffraction experiments provide insights into the average atomic structure of materials, which can break down when materials have lowered local symmetry, or are disordered. Analysis of the pair distribut...

TiO2 is exceptionally useful, but it remains a great challenge to develop a universal method to coat TiO2 nanoshells on different functional materials. We report a one-pot, low-temperature, and facile method that can rapidly form mesoporous TiO2 shells on various inorganic, organic, and inorganic-organic composite materials, including silica-based, metal, metal oxide, organic polymer, carbon-ba...

By taking advantage of the mechanical anisotropy of crystalline materials, processing at a single-layer level can be realized for layered crystalline materials with periodically weak bonds. Mica (muscovite), graphite, molybdenum disulfide (MoS2), and boron nitride have layered structures, and there is little interaction between the cleavage planes existing in the basal planes of these materials...

Isaeva, L. 2015. Amorphous and crystalline functional materials from first principles. Digital Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology 1276. 105 pp. Uppsala: Acta Universitatis Upsaliensis. ISBN 978-91-554-9311-0. This thesis deals with various functional materials from first-principles methods and is divided into two major parts according to ...

Pore volume is one of the main properties for the characterization of microporous crystals. It is experimentally measurable, and it can also be obtained from the refined unit cell by a number of computational techniques. In this work, we assess the accuracy and the discrepancies between the different computational methods which are commonly used for this purpose, i.e, geometric, helium, and pro...

B diffusion measurements are used to probe the basic nature of self-interstitial point defects in Ge. We find two distinct self-interstitial forms--a simple one with low entropy and a complex one with entropy ∼30  k at the migration saddle point. The latter dominates diffusion at high temperature. We propose that its structure is similar to that of an amorphous pocket--we name it a morph. Compu...

It is quite common to dispense a topping material like crystalline penetration sealer materials (CPSM) onto the surface of a plastic substance such as concrete to extend its service life span by surface protections from outside breakthrough. The CPSM can penetrate into the existing pores or possible cracks in such a way that it may form crystals to block the potential paths which provide breakt...

A new series of 4-(3,4-bis(akyloxy)phenyl)-6-(4-((1-(4-cyano- or 4-nitro-benzyl)-1H-1,2,3-triazol-4-yl)methoxy)phenyl)-2-oxo-1,2-dihydropyridine-3-carbonitriles carrying terminal di-alkoxy chain lengths (viz. octyloxy, decyloxy, dodecyloxy, tetradecyloxy and hexadodecyloxy) as well as terminal polar groups -CN or -NO2 have been designed and synthesized successfully as luminescent mesogens. Thei...