Search results for "Bulk"
showing 10 items of 286 documents
Polymerization with heterogeneous metalorganic catalysts. VI. Differences in polymerization activity of α-olefins and some kinetic results on butene-…
1967
Relative changes in polymerization activity of ethylene, propylene, and butene-1 in Ziegler-Natta polymerization were compared by use of TiCl3 samples contaminated with O2 and H2O to various extents. Catalyst depletion varied for the three monomers which supported the existence of different active centers. In butene-1 polymerizations with the system Al(C2H5)2Cl–TiCl3, the formation of active centers involves an irreversible and a reversible (adsorption) reaction, the former pertaining to the formation of Al(C2H5)Cl2 and dependent upon the purity of the TiCl3. The kinetic treatment of the rate curves suggests a mixed order of catalyst deactivation and again points to the importance of Al(C2H…
An anthropic soil transformation fingerprinted by REY patterns
2009
Abstract This Focus article deals intentionally with modern soil disturbance in situ . This is of interest to archaeologists as after disturbances, both short- and long-term, pedogenesis (re-)starts obliterating previous signs. Soil modifications induced by human activity may be linked to pedogenetic evidence for disturbance with archaeological evidence for the cultural activities. We contrasted two 750-m 3 soil pedons, an Anthrosol and a Kastanozem, from which the Anthrosol is derived, using 77 descriptors of soil properties which have been utilized in archaeological studies (pedo-morphological, routine laboratory, biochemical, metals and rare earth elements plus yttrium, REY) with the aim…
New Twists of 3D Chiral Metamaterials
2018
Rationally designed artificial materials, called metamaterials, allow for tailoring effective material properties beyond ("meta") the properties of their bulk ingredient materials. This statement is especially true for chiral metamaterials, as unlocking certain degrees of freedom necessarily requires broken centrosymmetry. While the field of chiral electromagnetic/optical metamaterials has become rather mature, the field of elastic/mechanical metamaterials is just emerging and wide open. This research news reviews recent theoretical and experimental progress concerning 3D chiral mechanical and optical metamaterials, with special emphasis on work performed at KIT.
On the use of artificial intelligence tools for fracture forecast in cold forming operations
2006
Abstract The design of cold forming processes requires the availability of a procedure able to deal with the prevention of ductile fracture. In fact, the ability to predict fracture represents a powerful tool to improve the production quality in mechanical industry. In this paper, artificial intelligence (AI) techniques are applied to ductile fracture prediction in cold forming operations. The main advantage of the application of AI tools and in particular, of artificial neural networks (ANN), is the possibility to obtain a predictive tool with a wide applicability. The prediction results obtained in this paper fully demonstrate the usefulness of the proposed approach.
First principles calculations of SrZrO3 bulk and ZrO2-terminated (001) surface F centers
2016
Abstract Using a supercell model and B3PW hybrid exchange-correlation functional in the framework of the density functional theory (DFT), as it is implemented in the CRYSTAL computer code, we performed ab initio calculations for the F -center located in the SrZrO 3 bulk and on the ZrO 2 -terminated (001) surface. According to the results of performed relaxation of atoms around the defect, two nearest Zr and four Sr atoms are repulsed, but all oxygen atoms are attracted towards both, the bulk and (001) surface F -center. The displacement magnitudes of atoms surrounding the bulk F -center are smaller than around the (001) surface F -center. The B3PW calculated SrZrO 3 bulk optical band gap (5…
Screening the bulk properties and reducibility of Fe-doped Mn2O3 from first principles calculations
2017
Abstract Manganese oxides, particularly Mn 2 O 3 , have demonstrated great potential for oxygen carrier materials in chemical looping applications. The application of these materials in the industrial scale is hindered by thermodynamic restrictions related to the reoxidation process. This disadvantage can be overcome by doping the oxide with a guest cation. Iron is one of the most promising dopants, but the atomic-level understanding of its effects on the properties of α-Mn 2 O 3 is incomplete. Herein, we report a systematic GGA+U study of the bulk properties and reducibility of Fe x Mn 2-x O 3 (0 ≤ x ≤ 2) as a function of Fe dopant concentration. In particular, we focus on a representative…
Photoimaging through in-Situ Photopolymerization of Heterobifunctional Mesogenic Compounds in Liquid Crystalline State
2007
A series of heterobifunctional mesogenic biphenyl esters having two different polymerizable groups, i.e., acryl and diacetylene groups, were synthesized and their thermal behaviors and polymerization investigated. All compounds showed enantiotropic transitions. Under POM, highly birefringent focal-conic fan textures appeared on heating and cooling from the isotropic melt. Compounds 6−8 having a butyl spacer between a biphenyl and a diacetylene group exhibited LC phases even at room temperature. The X-ray diffractograms of compounds 6−8 showed a set of reflections in the small-angle region. They consisted of more than three sharp diffraction peaks with d spacings in the ratio of 1:1/2:1/3, s…
Evaluating equilibrium and non-equilibrium transport of bromide and isoproturon in disturbed and undisturbed soil columns.
2007
19 pages; International audience; In this study, displacement experiments of isoproturon were conducted in disturbed and undisturbed columns of a silty clay loam soil under similar rainfall intensities. Solute transport occurred under saturated conditions in the undisturbed soil and under unsaturated conditions in the sieved soil because of a greater bulk density of the compacted undisturbed soil compared to the sieved soil. The objective of this work was to determine transport characteristics of isoproturon relative to bromide tracer. Triplicate column experiments were performed with sieved (structure partially destroyed to simulate conventional tillage) and undisturbed (structure preserve…
Preparation of photocatalysts by physical methodologies
2021
The synthesis of photocatalytic materials is an important task for obtaining better results in terms of activity and/or selectivity in photocatalysis. This chapter reports an overview of the main methodologies using physical techniques to obtain bulky, supported powders or films and coatings to be used as heterogeneous photocatalysts. The classical chemical methodologies for the preparation of photocatalytic materials are presented in the previous chapter, so the information presented here complements the aforementioned one. Materials scientists and engineers have made significant progresses in the improvement of methods of synthesis of nanomaterial solids by developing different apparatuse…