Search results for "quantitative"
showing 10 items of 2409 documents
Spherical polymer brushes under good solvent conditions: molecular dynamics results compared to density functional theory.
2010
A coarse grained model for flexible polymers end-grafted to repulsive spherical nanoparticles is studied for various chain lengths and grafting densities under good solvent conditions, by Molecular Dynamics methods and density functional theory. With increasing chain length the monomer density profile exhibits a crossover to the star polymer limit. The distribution of polymer ends and the linear dimensions of individual polymer chains are obtained, while the inhomogeneous stretching of the chains is characterized by the local persistence lengths. The results on the structure factor of both single chain and full spherical brush as well as the range of applicability of the different theoretic…
Monte Carlo analysis of polymer translocation with deterministic and noisy electric fields
2012
AbstractPolymer translocation through the nanochannel is studied by means of a Monte Carlo approach, in the presence of a static or oscillating external electric voltage. The polymer is described as a chain molecule according to the two-dimensional “bond fluctuation model”. It moves through a piecewise linear channel, which mimics a nanopore in a biological membrane. The monomers of the chain interact with the walls of the channel, modelled as a reflecting barrier. We analyze the polymer dynamics, concentrating on the translocation time through the channel, when an external electric field is applied. By introducing a source of coloured noise, we analyze the effect of correlated random fluct…
Relaxation of electronic excitations in LiNbO3crystals
2001
Transient absorption both in stoichiometric and Mg doped congruent LiNbO was observed after pulsed electron beam excitation. The luminescence spectra and decay kinetics in these materials show different excitonic relaxation possibilities. The dependence on sample stoichiometry is also discussed.
Cluster calculations for H2dissociation on Cu and Ni
1988
Self-consistent cluster calculations have been carried out for hydrogen dissociation on Cu and Ni clusters using local-density theory and the LCAO-DVM expansion. We find physisorption, chemisorption and dissociation minima in the resulting two-dimensional potential energy surfaces, and for the Ni cluster, also an indication of the associative molecular chemisorption state. For Cu we find a considerable barrier at the seam separating the molecular chemisorption and dissociative minima. The analysis of one-electron levels supports the picture of Harris and Andersson that the s to d conversion present on Ni surfaces does not similarly lower the barrier on Cu surface.
Energy criteria of multiaxial fatigue failure
1999
This paper contains a review of energy-based criteria of multiaxial fatigue. The criteria have been divided into three groups, depending on the kind of strain energy density per cycle which is assumed as a damage parameter. They are: (i) criteria based on elastic strain energy for high-cycle fatigue; (ii) criteria based on plastic strain energy for low-cycle fatigue; and (iii) criteria based on the sum of plastic and elastic strain energies for both low- and high-cycle fatigue. The criteria which take into account strain energy density in the critical plane seem to be the most promising. In the energy approach to multiaxial fatigue there is an important unsolved problem, i.e. the evaluation…
Quantification of low levels of amorphous content in maltitol
2004
A method for the quantification of low levels of amorphous content of maltitol with hyper-DSC (high speed DSC) was developed. The method is based on the fact that the change of specific heat ( � Cp) at the glass transition is linearly proportional to the amorphous content. Twelve synthetic mixtures with various degrees of crystalline and amorphous maltitol were prepared. � Cp was determined at both fictive and
Conformational Changes and Charge Transfer in Biomolecules Resolved Using Dynamic Enhanced Raman Correlation Spectroscopy
2019
International audience; In this contribution, we report that conforma-tional changes of molecules that are often buried in a wide-distributed Gaussian distribution can be discerned by analyzing the dynamics of specific Raman lines. We investigate the pertinence of the auto-and cross-correlation functions applied to the dynamics of three Raman lines of an amino acid, the tryptophan. The cross-correlation between intensity and the Raman band is an indicator of the charge transfer during the diffusion limited reaction of tryptophan and the gold surface. The Pećlet number Pe can provide a valuable indicator of the convective and/or diffusive features of each Raman band. Adsorption induced confo…
Analysis, characterization and minimization of IPMSMs cogging torque with different rotor structures
2015
This paper presents the analysis, characterization and comparison of the cogging torque components generated by five different IPMSM rotor structures. More in detail, an IPMSM model (named IPMSM1), which is derived from a commercial geometry, is analyzed by using a Finite Element Method (FEM) approach. Then, four other IPMSM models, which are obtained by modifying the IPMSM1 rotor structure and by maintaining the same stator configuration, are proposed and analyzed. From the obtained simulation results, the cogging torque components for each structure are determined and compared. From this comparison, a significant cogging torque decrease is occurring for the modified geometries, without af…
Crystallinity of block copolymer controlled by cyclodextrin
2018
We report a differential scanning calorimetry study to investigate the effect of cyclodextrins (CD) on the crystallinity of a copolymer. Tetronics was selected as copolymer with star-like shape formed by four polyethylene oxide flanked by four polypropylene oxide blocks linked to ethylenediamine central group. The use of CD with different cavity size was exploited for a block selective inclusion. A model for supramolecular association was considered for a quantitative description of the enthalpy data. The polymer chain incorporation into the CD cavity generates a loss of crystallinity. The stoichiometry of the CD/copolymer aggregates can be tuned by changing the CD cavity size. The investig…
Temperature Measurements as a Method for Monitoring Ropes
2020
Due to an increasing demand for operation at sea depths as low as 3000 m and under, the use of fibre ropes for offshore application in deep sea lifting and mooring is increasing. Consequently, improved knowledge is required regarding these ropes’ thermo-mechanical properties and how these properties change as the rope is being used. This paper presents a 2D model of heat transport in the axial and radial directions along a 28 mm diameter fibre rope typically used for offshore applications. The model is combined with temperature measurements during heating and cooling of the rope, using both thermocouples and a thermal camera. Measurements are performed both on a new rope and on a used that …