Search results for "composites"
showing 10 items of 1905 documents
Molecular dynamics studies of 3D quasicrystals
1993
Abstract The thermodynamic behaviour of monatomic and diatomic models of three-dimensional icosahedral quasicrystals has been studied in NVT and NPT ensembles using molecular dynamics simulations with atoms interacting via Lennard-Jones potentials. We also report on a microcanonical MD simulation of decagonal Al 65 Cu 20 Co 15 quasicrystals where an experimentally determined binary model has been used. To obtain stability in this latter case it is necessary to endow the atoms with effective pair potentials. No transitions to crystalline or amorphous phases were found for diatomic models. Monatomic models, however, display a certain stability only in the low-temperature region. In the range …
The correlation of the 7.6 eV optical absorption band in pure fused silicon dioxide with twofold-coordinated silicon
1992
Abstract The optical absorption band at 7.6 eV, which appears in oxygen deficient pure silica, does not correlate with any ESR signal in non-irradiated samples. Longlasting illumination at 80 K in the range of its absorption leads to an increase of the absorption band at 5 eV. Subsequent heating to 290 K restores the initial absorption. These data can be explained as photodissociation and thermal recreation of a complex defect containing a twofold-coordinated silicon defect. This complex defect is responsible for the 7.6 eV absorption band.
Photoluminescence at 1.9 eV in synthetic wet silica
2001
We report the effects of γ-irradiation on the optical activity of wet synthetic silica samples. As a function of γ-dose, the growth of a composite structure in the 4–6 eV spectral region of the absorption spectrum is observed. This structure can be resolved into two main contributions centered at 5.8 and 4.8 eV, respectively. The first component is usually attributed to an optical transition of the E′ centers. The second one is able to excite an emission band centered at 1.9 eV. The analysis of the growth kinetics, in the γ-dose range 20–1000 Mrad, of both emission at 1.9 eV and absorption at 4.8 eV shows that these two bands change in a similar way, reaching constant amplitudes, after an i…
Room temperature hysteretic spin crossover in a new cyanoheterometallic framework.
2019
A new iron(II)-based spin-crossover compound with thermal hysteresis operating under ambient conditions is reported. This complex exhibits a high reproducibility of the spin transition in many successive thermal cycles, stability of both spin states at room temperature and an attractive operational temperature range.
Reorientational dynamics in simple supercooled liquids
1998
Abstract The geometry of the reorientational dynamics in the van der Waals liquid, toluene, and the hydrogen bond network, glycerol, are compared. Both systems have contributions from small angle fluctuations. In glycerol the fraction of these small angle fluctuations is much larger than in toluene, due to the stronger anisotropic interactions in the former substance. The average reorientational angle in both systems is similar and on the order of 10 ∘ . In addition we analyze the stretching of the rotational correlation functions of rank one and two. In both cases we find that the second rank correlation function has a more pronounced stretching than the corresponding first rank correlatio…
A Rayleigh-Ritz approach for postbuckling analysis of variable angle tow composite stiffened panels
2018
Abstract A Rayleigh-Ritz solution approach for generally restrained multilayered variable angle tow stiffened plates in postbuckling regime is presented. The plate model is based on the first order shear deformation theory and accounts for geometrical nonlinearity through the von Karman’s assumptions. Stiffened plates are modelled as assembly of plate-like elements and penalty techniques are used to join the elements in the assembled structure and to apply the kinematical boundary conditions. General symmetric and unsymmetric stacking sequences are considered and Legendre orthogonal polynomials are employed to build the trial functions. A computer code was developed to implement the propose…
Post-buckling analysis of cracked multilayered composite plates by pb-2 Rayleigh–Ritz method
2015
Abstract A pb-2 Rayleigh–Ritz variational approach for the analysis of post-buckling behavior of cracked composite plates is presented. The plate is modeled by the first order shear deformation theory taking geometric nonlinearities into account through the von Karman’s theory. General stacking sequences are considered. Cracks are modeled by using subdomain decomposition of the plate coupled with penalty techniques, used to augment the variational statement with the needed continuity conditions along the connected subdomains edges. Numerical procedures have been developed and used to validate the present solution by comparison with available literature results. Original results are then pre…
Unexpected metal-free synthesis of trifluoromethyl arenes via tandem coupling of dicyanoalkenes and conjugated fluorinated sulfinyl imines
2021
A novel strategy for the synthesis of policyclic trifluoromethyl arenes has been devised. It involves a DBU-promoted tandem cycloaromatization reaction of dicyanoalkenes and fluorinated conjugated sulfinyl imines. This unprecedented transformation is a metal-free and air-tolerant process that takes place from readily available starting materials under mild reaction conditions.
Unveiling the reaction mechanism of novel copper N-alkylated tetra-azacyclophanes with outstanding superoxide dismutase activity.
2020
Quantum chemical and multiscale calculations reveal the mechanistic pathway of two superoxide dismutase mimetic N-alkylated tetra-azacyclophane copper complexes with remarkable activity. The arrangement of the binding site afforded by the bulky alkyl substituents and the coordinated water molecule as a proton source play key roles in the reaction mechanism.
Microstructural study of titanium carbonitride elaborated by combustion synthesis
2007
Abstract The self-propagating high-temperature synthesis (S.H.S.) process, which is promising for the fabrication of ceramic materials, was chosen to elaborate titanium carbonitride materials. The influence of parameters such as nitrogen gas pressure and carbon ratio on the microstructure was studied. A single phase product of Ti(C,N) is obtained for a carbon ratio under 15 at.% and a nitrogen pressure of 36 MPa. The increase of the carbon ratio corresponds to a decrease of the maximum temperature reached during the synthesis. Time resolved X-ray diffraction measurements (TRXRD) with the synchrotron radiation were used to determine the reaction mechanisms. We could observe that the synthesi…