Search results for "SIMULATION"
showing 10 items of 5095 documents
Quantification of diffuse and concentrated pollutant loads at the watershed-scale: an Italian case study
2009
In this study, diffuse and point source pollutant loads were evaluated using an Italian case study: the Nocella catchment, which has been subject to extensive monitoring. The Nocella catchment is located in Sicily (Italy) and has an area of about 60 km2. The river receives wastewater and stormwater from two urban areas drained by combined sewers. The two sewer systems, two wastewater treatment plants and a river reach were monitored during both dry and wet weather periods. Thereafter, an integrated catchment-scale model was applied to simulate point pollutant sources, i.e., pollution coming from the urban drainage system, and nonpoint pollutant sources, i.e., pollution coming from agricultu…
Analysis of Pollutant Emissions on City Arteries—Aspects of Transport Management
2021
The aim of the study is to present a methodology for analyzing pollution emissions in a medium-sized city using modern traffic simulations in the aspect of minimizing exhaust emissions. The scope of the research and the methods of analysis used differ from those applied in big cities projects that can be found in the literature, Therefore the progressive elaboration model has been applied methodically to formulate and carry out the feasibility study. To perform microscopic traffic simulations, the software Simulation of Urban Mobility (SUMO—German Aerospace Center (DLR), Berlin, Germany) was applied. Thanks to the simulations, changes in traffic organization were accurately identified in th…
Bioinspired catechol-terminated self-assembled monolayers with enhanced adhesion properties
2013
The role of the catechol moiety in the adhesive properties of mussel proteins and related synthetic materials has been extensively studied in the last years but still remains elusive. Here, a simplified model approach is presented based on a self-assembled monolayer (SAM) of upward-facing catechols thiol-bound to epitaxial gold substrates. The orientation of the catechol moieties is confirmed by spectroscopy, which also showed lack of significant amounts of interfering o-quinones. Local force-distance curves on the SAM measured by atomic force microscopy (AFM) shows an average adhesion force of 45 nN, stronger than that of a reference polydopamine coating, along with higher reproducibility …
Properties evolution of flax/epoxy composites under fatigue loading
2014
International audience; The tension-tension fatigue behaviour of flax fibre reinforced epoxy matrix composites have been investigated for specimens having [0]12, [90]12, [0/90]3S and [±45]3S lay-ups. The Probabilized Stress-Number of cycles (P-S-N) curves have been determined for each laminate type. The measured stress and strain data allowed to quantify the evolution of the mechanical properties, i.e. stiffness, damping and permanent strain as a function of imposed cycles. Especially, the stiffening phenomenon of flax reinforcements oriented parallel to the loading direction has been confirmed. However, due to the competition between damage development and the fibre stiffening, the increas…
New quantum Monte Carlo formulation for modeling trans-polyacetylene properties: specific heat calculation
2004
Abstract In this paper we propose a new hybridization scheme for numerical simulation based on the determinantal quantum Monte Carlo and analytical model to treat the vibration mode of one-dimensional trans -polyacetylene chain. We use both of the extended Hubbard model (EHM) and Peierls–Hubbard model to compute the specific heat for different assumptions. For both the two models, our results indicate that the behavior of the specific heat is characterized by a maximum. We also introduce the effect of dimerization through Peierls–Hubbard model. In this case it is found that the specific heat magnitude is slightly more important when compared to specific heat value found with the EHM case. M…
Torsional effects on the molecular polarizabilities of the benzothiazole (A)-benzobisthiazole (B) oligomer A-B13-A
1996
Abstract We outline a method for the calculation of multipole moments and molecular dipole-dipole ( ), dipole-quadrupole ( ), and quadrupole-quadrupole ( ) polarizabilities, which we have successfully applied to benzothiazole (A)-benzobisthiazole (B) oligomer A-B13-A. Three model rotational isomers have been characterized: (1) the fully planar (000) rotational isomer; (2) a conformation with each unit rotated 10° in the alternate direction (+−+), and (3) a rotational isomer with each unit rotated 10° in the same direction (+++). The dipole moment, μ , is smaller for isomers 000 and +−+ than for isomer +++. The calculation of , , and has been performed by use of the interacting induced dipol…
Conformations, Transverse Fluctuations and Crossover Dynamics of a Semi-Flexible Chain in Two Dimensions
2014
We present a unified scaling description for the dynamics of monomers of a semiflexible chain under good solvent condition in the free draining limit. We consider both the cases where the contour length $L$ is comparable to the persistence length $\ell_p$ and the case $L\gg \ell_p$. Our theory captures the early time monomer dynamics of a stiff chain characterized by $t^{3/4}$ dependence for the mean square displacement(MSD) of the monomers, but predicts a first crossover to the Rouse regime of $t^{2\nu/{1+2\nu}}$ for $\tau_1 \sim \ell_p^3$, and a second crossover to the purely diffusive dynamics for the entire chain at $\tau_2 \sim L^{5/2}$. We confirm the predictions of this scaling descr…
A Monte Carlo Study of Knots in Long Double-Stranded DNA Chains.
2016
We determine knotting probabilities and typical sizes of knots in double-stranded DNA for chains of up to half a million base pairs with computer simulations of a coarse-grained bead-stick model: Single trefoil knots and composite knots which include at least one trefoil as a prime factor are shown to be common in DNA chains exceeding 250,000 base pairs, assuming physiologically relevant salt conditions. The analysis is motivated by the emergence of DNA nanopore sequencing technology, as knots are a potential cause of erroneous nucleotide reads in nanopore sequencing devices and may severely limit read lengths in the foreseeable future. Even though our coarse-grained model is only based on …
A Comparison between Three Meta-Modeling Optimization Approaches to Design a Tube Hydroforming Process
2012
Computer aided procedures to design and optimize forming processes have become crucial research topics as the industrial interest in cost and time reduction has been increasing. A standalone numerical simulation approach could make the design too time consuming while meta-modeling techniques enables faster approximation of the investigated phenomena, reducing the simulation time. Many researchers are, nowadays, facing such research challenge by using various approaches. Response surface method (RSM) is probably the most known one, since its effectiveness was demonstrated in the past years. The effectiveness of RSM depends both on the definition of the Design of Experiments (DoE) and the acc…
A new constructive method using the theory of invariants to obtain material behavior laws
2006
International audience; The aim of this paper is to present a constructive method to derive mechanical behavior laws using the Theory of Invariants and Continuum Thermodynamics. More precisely, we want to construct, in a general way, the state or dissipation potential in a polynomial form given a set of variables V and the material symmetry group S. For this purpose, we show how to obtain a set of generators for the S-invariant polynomials of V. Then, using the Grœbner basis concept, we write all the decompositions of a polynomial of a given degree.