Search results for "materiaalit"
showing 10 items of 102 documents
Open educational resources repositories literature review – Towards a comprehensive quality approaches framework
2015
Display Omitted A comprehensive literature review on learning object repositories (LOR) quality approaches.Most cited quality approaches are "peer reviews" and "recommendation systems".User-generated, collaborative, quality instruments are favored for their sustainability.Main result is a Quality approach framework for LOR design. Today, Open Educational Resources (OER) are commonly stored, used, adapted, remixed and shared within Learning object repositories (LORs) which have recently started expanding their design to support collaborative teaching and learning. As numbers of OER available freely keep on growing, many LORs struggle to find sustainable business models and get the users' att…
Structural stability of DNA origami nanostructures under application-specific conditions
2018
With the introduction of the DNA origami technique, it became possible to rapidly synthesize almost arbitrarily shaped molecular nanostructures at nearly stoichiometric yields. The technique furthermore provides absolute addressability in the sub-nm range, rendering DNA origami nanostructures highly attractive substrates for the controlled arrangement of functional species such as proteins, dyes, and nanoparticles. Consequently, DNAorigami nanostructures have found applications in numerous areas of fundamental and applied research, ranging from drug delivery to biosensing to plasmonics to inorganic materials synthesis. Since many of those applications rely on structurally intact, well-defin…
Rippling of two-dimensional materials by line defects
2020
Two-dimensional materials and their mechanical properties are known to be profoundly affected by rippling deformations. However, although ripples are fairly well understood, less is known about their origin and controlled modification. Here, motivated by recent reports of laser-controlled creation of line defects in graphene, we investigate how line defects could be used to control rippling in graphene and other two-dimensional materials. By sequential multi-scale coupling of density-functional tight-binding and continuum elasticity simulations, we quantify the amount of rippling when the number and the cumulative length of the line defects increase. Simulations show that elastic sheets wit…
CLEASE: a versatile and user-friendly implementation of cluster expansion method
2018
Materials exhibiting a substitutional disorder such as multicomponent alloys and mixed metal oxides/oxyfluorides are of great importance in many scientific and technological sectors. Disordered materials constitute an overwhelmingly large configurational space, which makes it practically impossible to be explored manually using first-principles calculations such as density functional theory due to the high computational costs. Consequently, the use of methods such as cluster expansion (CE) is vital in enhancing our understanding of the disordered materials. CE dramatically reduces the computational cost by mapping the first-principles calculation results on to a Hamiltonian which is much fa…
Strong absorption and ultrafast localisation in NaBiS2 nanocrystals with slow charge-carrier recombination.
2022
Funder: AiF Project, no: ZIM-KK5085302DF0
Effective elastic properties of biocomposites using 3D computational homogenization and X-ray microcomputed tomography
2021
A 3D computational homogenization method based on X-ray microcomputed tomography (μCT) was proposed and implemented to investigate how the fiber weight fraction, orthotropy and orientation distribution affect the effective elastic properties of regenerated cellulose fiber-polylactic acid (PLA) biocomposites. Three-dimensional microstructures reconstructed by means of the X-ray μCT were used as the representative volume elements (RVEs) and incorporated into the finite element solver within the computational homogenization framework. The present method used Euclidean bipartite matching technique so as to eliminate the generation of artificial periodic boundaries and use the in-situ solution d…
Impact of Si on the high-temperature oxidation of AlCr(Si)N coatings
2022
The resistance of wear protective coatings against oxidation is crucial for their use at high temperatures. Here, three nanocomposite AlCr(Si)N coatings with a fixed Al/Cr atomic ratio of 70/30 and a varying Si-content of 0 at.%, 2.5 at.% and 5 at.% were analyzed by differential scanning calorimetry, thermogravimetric analysis and X-ray in order to understand the oxidation behavior depending on their Si-content. Additionally, a partially oxidized AlCrSiN coating with 5 at.% Si on a sapphire substrate was studied across the coating thickness by depth-resolved cross-sectional X-ray nanodiffraction and scanning trans-mission electron microscopy to investigate the elemental composition, morphol…
Exploring the self-assembly of resorcinarenes : from molecular level interactions to mesoscopic structures
2012
Towards purely inorganic clusters in medicine: Biocompatible divalent cations as counterions of cobaltabis(dicarbollide) and its iodinated derivatives
2021
Monovalent cations, Cs+, and alkylammonium ([NR4]+) salts have traditionally been used to precipitate the anions of boranes, carborane and metallocarborane clusters. In contrast, in the body and in living organisms in general, divalent cations have a special relevance. In this work, we isolate for the first time the cobaltabis(dicarbollide) salts of the biocompatible divalent cations of biological importance that can have application both in biology and in materials science. The preparation of Ca2+, Mg2+ and Fe2+ salts of anionic iodinated nido-[C2B9H12]− and cobaltabis(dicarbollide) as well as its di-, tetra- and octa-iodinated derivatives are reported. Ca2+ and Mg2+ are hard Lewis acids a…