Search results for "Interaction"
showing 10 items of 5710 documents
Laminated Glass Members in Compression: Experiments and Modeling
2014
It is well known that structural glass members are made by assembling thin laminated panels, which can be connected with different bonding techniques; for instance, with steel devices or with structural adhesives. The latter are very commonly used because they do not reduce the transparency of the member and make it possible to avoid stress concentrations because of the presence of holes. This technique is used to make up columns in glazing structures and different applications of the technique can be found in contemporary architecture. As evidenced by the literature, one of the most important problems in such members is caused by buckling phenomena, resulting from the slenderness of the pa…
Polyamorphic transformation induced by electron irradiation ina-SiO2glass
2009
We report a study by electron paramagnetic resonance of amorphous silicon dioxide $(a{\text{-SiO}}_{2})$ irradiated by 2.5 MeV electrons in the dose range from $1.2\ifmmode\times\else\texttimes\fi{}{10}^{3}$ to $5\ifmmode\times\else\texttimes\fi{}{10}^{6}\text{ }\text{kGy}$. By measuring the change in the splitting of the primary $^{29}\text{S}\text{i}$ hyperfine doublet of the ${E}_{\ensuremath{\gamma}}^{\ensuremath{'}}$ centers we evidenced an irradiation induced local (around the defects) densification of $a{\text{-SiO}}_{2}$. Our data show that the local degree of densification of the materials is significantly higher than that obtained by mean density measurements, suggesting that the …
Imbibition of Femtoliter-Scale DNA-Rich Aqueous Droplets into Porous Nylon Substrates by Molecular Printing
2019
This work presents the first reported imbibition mechanism of femtoliter (fL)-scale droplets produced by microchannel cantilever spotting (μCS) of DNA molecular inks into porous substrates (hydrophilic nylon). Differently from macroscopic or picoliter droplets, the downscaling to the fL-size leads to an imbibition process controlled by the subtle interplay of evaporation, spreading, viscosity, and capillarity, with gravitational forces being quasi-negligible. In particular, the minimization of droplet evaporation, surface tension, and viscosity allows for a reproducible droplet imbibition process. The dwell time on the nylon surface permits further tuning of the droplet lateral size, in acc…
Nitrogen Gas on Graphene: Pairwise Interaction Potentials
2018
We investigate different types of potential parameters for the graphene-nitrogen interaction. Interaction energies calculated at DFT level are fitted with the semi-emperical Improved Lennard-Jones potential. Both a pseudo-atom potential and a full atomistic potential are considered. Furthermore, we consider the influence of the electrostatic part on the parameters using different charge schemes found in the literature as well as optimizing the charges ourselves. We have obtained parameters for both the nitrogen dimer and the graphene-nitrogen system. For the former, the four-charges Cracknell scheme reproduces with high precision the CCSD(T) interaction energy as well as the experimental di…
Shear strength of steel fiber reinforced concrete beams with stirrups
2006
The present paper proposes a semi-empirical analytical expression that is capable of determining the shear strength of reinforced concrete beams with longitudinal bars, in the presence of reinforcing fibers and transverse stirrups. The expression is based on an evaluation of the strength contribution of beam and arch actions and it makes it possible to take their interaction with the fibers into account. For the strength contribution of stirrups, the effective stress reached at beam failure was considered by introducing an effectiveness function. This function shows the share of beam action strength contribution on the global strength of the beam calculated including the effect of fibers. T…
Spinterface: Crafting spintronics at the molecular scale
2014
A number of studies have suggested that molecular materials could offer similar performance as, or even potentially supersede, those of inorganic materials in spintronics devices. Radically new spintronics functionalities, unavailable with conventional inorganic materials, could stem from the interface between ferromagnetic (FM) and molecular materials, giving rise to the so-called “spinterface” field. In this article, we review the fundamental concepts, recent experiments, and perspectives in this fast rising field, where the functionality is brought from the bulk to the ultimate downscaled device: the interface. The article shows how spin-dependent hybridization at the FM metal/molecule i…
Quantum-Chemical Insights into the Self-Assembly of Carbon-Based Supramolecular Complexes
2018
Understanding how molecular systems self-assemble to form well-organized superstructures governed by noncovalent interactions is essential in the field of supramolecular chemistry. In the nanoscience context, the self-assembly of different carbon-based nanoforms (fullerenes, carbon nanotubes and graphene) with, in general, electron-donor molecular systems, has received increasing attention as a means of generating potential candidates for technological applications. In these carbon-based systems, a deep characterization of the supramolecular organization is crucial to establish an intimate relation between supramolecular structure and functionality. Detailed structural information on the se…
Supramolecular control of liquid crystals by doping with halogen-bonding dyes
2017
Introducing photochromic or polymeric dopants into nematic liquid crystals is a well-established method to create stimuli-responsive photonic materials with the ability to "control light with light". Herein, we demonstrate a new material design concept by showing that specific supramolecular interactions between the host liquid crystal and the guest dopants enhance the optical performance of the doped liquid crystals. By varying the type and strength of the dopant-host interaction, the phase-transition temperature, the order parameter of the guest molecules, and the diffraction signal in response to interference irradiation, can be accurately engineered. Our concept points out the potential…
Structure and dynamics of B2O3 melts and glasses: From ab initio to classical molecular dynamics simulations
2019
Abstract Boron oxide (B2O3) is investigated by a combination of ab initio (DFT-based) molecular dynamics (MD) simulations and classical MD simulations. From the trajectories of the ab initio MD simulation, we derive a three-body interaction potential which is used in classical MD simulations to study various structural and dynamic properties on larger time and length scales than possible in the ab initio simulations. Differences and similarities to the structure and dynamics of other network glass formers such as SiO2 and GeO2 are discussed. Moreover, various properties as obtained from the simulations are compared to those from experiments of B2O3.
Molecular structure and multi-body potential of mean force in silica-polystyrene nanocomposites
2018
We perform a systematic application of the hybrid particle-field molecular dynamics technique [Milano et al, J. Chem. Phys. 2009, 130, 214106] to study interfacial properties and potential of mean force (PMF) for separating nanoparticles (NPs) in a melt. Specifically, we consider Silica NPs bare or grafted with Polystyrene chains, aiming to shed light on the interactions among free and grafted chains affecting the dispersion of NPs in the nanocomposite. The proposed hybrid models show good performances in catching the local structure of the chains, and in particular their density profiles, documenting the existence of the "wet-brush-to-dry-brush" transition. By using these models, the PMF b…