Mechanics Methods (mechanic + methods)

Distribution by Scientific Domains

Selected Abstracts

Fracture Properties of Wood and Wood Composites

Stefanie E. Stanzl-Tschegg
Wood has a complex hierarchical structure and is a kind of polymeric composite with elongated cells in an amorphous matrix. Therefore, fracturing is a complicated process that is influenced by loading mode and direction, humidity, etc. Standard linear-elastic fracture mechanics methods mostly cannot sufficiently quantify fracturing, and combining fracture mechanical with structural investigations at different levels of magnification (centimeter to nanometer levels) helps obtaining insight into the fracture mechanisms. [source]

The continuous crack flexibility model for crack identification

T. G. Chondros
The presence of a crack in a structural member introduces a local flexibility that affects its dynamic response. Moreover, the crack will open and close in time depending on the loading conditions and vibration amplitude. The changes in dynamic characteristics can be measured and lead to an identification of the structural changes which eventually might lead to the detection of a structural flaw. The results of various independent evaluations of changes in the natural frequency of vibrations of cracked structural elements are reported. A crack model of a continuous flexibility, found with fracture mechanics methods using the displacement field in the vicinity of the crack developed recently is used here. The analytical results for the cracked elements behaviour based on the continuous crack flexibility vibration theory were correlated with numerical solutions, the lumped-crack beam vibration analysis and experimental results obtained on aluminium and steel beams with open cracks. [source]

Hydrogen bond of radicals: Interaction of HNO with HCO, HNO, and HOO

Yong Yang
Abstract Ab initio quantum mechanics methods are employed to investigate hydrogen bonding interactions between HNO and HCO, HOO radicals, and closed-shell HNO. The systems were calculated at MP2/6-311++G (2d, 2p) level and G2MP2 level. The topological and NBO analysis were investigated the origin of hydrogen bonds red- or blue-shifts. In addition, the comparisons were performed between HNO-opened-shell radical (HCO, HOO) complexes and HNO-corresponding closed-shell molecule (H2CO, HOOH) complexes. It is found that the stabilities of complexes increase from HNO-HCO to HNO-HOO. There are blue-shifts of NH, CH stretching vibrational frequencies and a red-shift of OH stretching vibrational frequency in the complexes. Rehybridization and electron density redistribution contribute to the blue-shifts of CH and NH stretching vibrational frequencies. Compared with the closed-shell H2CO, HCO is weaker proton donor and weaker proton acceptor. For the HOO, it is stronger proton donor and weaker proton acceptor than the HOOH is. 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010 [source]

Squaraines as Reporter Units: Insights into their Photophysics, Protonation, and Metal-Ion Coordination Behaviour


Abstract The synthesis, photophysical properties, protonation, and metal-ion coordination features of a family of nine aniline-based symmetrical squaraine derivatives are reported. The squaraine scaffold displays very attractive photophysical properties for a signalling unit. These dyes show absorption and weakly Stokes-shifted, mirror-image-shaped emission bands in the visible spectral range and there are no hints of multiple emission bands. The mono-exponential fluorescence decay kinetics observed for all the derivatives indicate that only one excited state is involved in the emission. These data stress the interpretation that squaraines can be regarded as polymethine-type dyes. From a coordination chemistry point of view, the squaraines possess four potential binding sites; that is, two nitrogen atoms from the anilino groups and two oxygen atoms from the central C4O2 four-membered ring. These coordination sites are part of a cross-conjugated ,-system and coordination events with protons or certain metal ions affect the electronic properties of the delocalised ,-system dramatically, resulting in a rich modulation of the colour of the squaraines. The absorption band at around 640,nm is blue-shifted when coordination at the anilino nitrogen atoms occurs, whereas coordination to the C2O4 oxygen atoms results in the development of red-shifted bands. Addition of more than one equivalent of protons or metal cations could additionally entail mixed N,O - or N,N -coordinated complexes, manifested in the development of a broad band at 480,nm or complete bleaching in the visible range, respectively. Analysis of the spectrophotometric titration data with HYPERQUAD yielded the macroscopic and microscopic stability constants of the complexes. Theoretical modelling of the various protonated species by molecular mechanics methods and consideration of some of the title dyes within the framework of molecular chemosensing and molecular-scale "logic gates" complement this contribution. [source]