Search results for " minimization"
showing 10 items of 107 documents
Enhanced loss model algorithm for interior permanent magnet synchronous machines
2017
This paper presents an experimental study on the impact of the parameter variations over the performances of a LMA (Loss Model Algorithm) designed for an IPMSM (Interior Permanent Magnet Synchronous Machine). In a previous work, the characterization was carried out by assessing, for several working conditions, the motor parameters that influence the motor efficiency. The proposed enhanced loss model algorithm is implemented in a rapid prototyping system and its performances, in term of efficiency, are compared with other control systems, obtaining promising results.
Combination of the OSA process with thermal treatment at moderate temperature for excess sludge minimization
2019
Abstract This study investigated the chance to couple the conventional Oxic Settling Anaerobic (OSA) process with a thermic treatment at moderate temperature (35 °C). The maximum excess sludge reduction rate (80%) was achieved when the plant was operated under 3 h of hydraulic retention time (HRT). Compared with the conventional OSA system, the thermic treatment enabled a further improvement in excess sludge minimization of 35%. The observed yield coefficient decreased from 0.25 gTSS gCOD−1 to 0.10 gTSS gCOD−1 when the temperature in the anaerobic reactor was increased to 35 °C, despite the lower HRT (3 h vs 6 h). Moreover, the thermic treatment enabled the decrease of filamentous bacteria,…
Best proximity point theorems for proximal cyclic contractions
2017
The purpose of this article is to compute a global minimizer of the function $$x\longrightarrow d(x, Tx)$$ , where T is a proximal cyclic contraction in the framework of a best proximally complete space, thereby ensuring the existence of an optimal approximate solution, called a best proximity point, to the equation $$Tx=x$$ when T is not necessarily a self-mapping.
Improving Docking Performance Using Negative Image-Based Rescoring
2017
Despite the large computational costs of molecular docking, the default scoring functions are often unable to recognize the active hits from the inactive molecules in large-scale virtual screening experiments. Thus, even though a correct binding pose might be sampled during the docking, the active compound or its biologically relevant pose is not necessarily given high enough score to arouse the attention. Various rescoring and post-processing approaches have emerged for improving the docking performance. Here, it is shown that the very early enrichment (number of actives scored higher than 1% of the highest ranked decoys) can be improved on average 2.5-fold or even 8.7-fold by comparing th…
Adaptive Bias Field Correction: Application on Abdominal MR Images
2017
Segmentation of medical images is one of the most important phases for disease diagnosis. Accuracy, robustness and stability of the results obtained by image segmentation is a major concern. Many segmentation methods rely on absolute values of intensity level, which are affected by a bias term due to in-homogeneous field in magnetic resonance images. The main objective of this paper is two folded: (1) To show efficiency of an energy minimization based approach, which uses intrinsic component optimization, on abdominal magnetic resonance images. (2) To propose an adaptive method to stop the optimization automatically. The proposed method can control the value of the energy functional and sto…
Hopcroft’s Algorithm and Tree-like Automata
2009
In order to analyze some extremal cases of Hopcroft’s algorithm we deepened the relationship between combinatorial properties of circular words and the ex- ecution of the algorithm on cyclic automata associated to such words.In this paper we highlight the notion of word tree and in particular, we char- acterize the word trees for which Hopcroft’s algorithm on the associated tree-like automata has a unique refinement process. Moreover, we show the relationship between the time complexity of the refinements process of the Hopcroft’s algo- rithm on unary cyclic automata and binary tree-like automata. Such a result allows to exhibit a family of tree-like automata representing the worst case of …
Adversarial reverse mapping of equilibrated condensed-phase molecular structures
2020
A tight and consistent link between resolutions is crucial to further expand the impact of multiscale modeling for complex materials. We herein tackle the generation of condensed molecular structures as a refinement -- backmapping -- of a coarse-grained structure. Traditional schemes start from a rough coarse-to-fine mapping and perform further energy minimization and molecular dynamics simulations to equilibrate the system. In this study we introduce DeepBackmap: A deep neural network based approach to directly predict equilibrated molecular structures for condensed-phase systems. We use generative adversarial networks to learn the Boltzmann distribution from training data and realize reve…
Theoretical study on hydration of symmetrically different diazanaphthalenes
2005
Abstract Quinazoline (symmetrical) and quinoxaline (unsymmetrical), diazanaphthalenes involved in certain biological reactions, have been studied computational with the purpose of comparing their protonation and covalent hydration mechanisms. Geometry optimizations of neutral, mono and diprotonated cations and hydrated products have been carried out at three levels of theory. Geometry optimizations were performed at HF, DFT/B3LYP levels of theory using 6-311G* basis set and single point energies were calculated at the MP2 level of theory using the same basis set. In agreement with experimental results, calculations predict a two steps mechanism resulting in a hydrated cation in which the OH…
A theoretical study of the electronic spectrum of styrene
1999
Abstract The electronic spectrum of styrene has been studied by using multiconfigurational second-order perturbation theory (CASPT2). The study includes geometry optimization of the ground state, the lowest triplet state, and the lowest singlet excited state. The covalent 2 1 A ′ state placed vertically at 4.34 eV is assigned to the first band. The 1 1 A ′→3 1 A ′ transition located at 4.97 eV is responsible for the second band. The most intense feature involves the 5 1 A ′ state, which is calculated to lie 6.19 eV above the ground state. The lowest singlet–singlet Rydberg transition (3s) is predicted to occur at 5.85 eV.
ChemInform Abstract: Spectroscopic and Theoretical Studies on the Internal Rotational Barrier of 1-Acetylcyclohexene
1987
Abstract MINDO-3 molecular orbital calculations with full geometry optimization have been carried out on 1-acetylcyclohexene (ACH) in order to estimate the rotational barrier for the acetyl group, and to localize the less energetic conformation. MNDO calculations have also been carried out for comparative purposes. Both methods point to the non-delocalized structure with the two π-clouds perpendicular to the less energetic conformation. A decomposition of the barrier energy by means of Fourier analysis is made in order to characterize the contributions to the barrier. The UV spectrum of ACH has been recorded both in vapor phase and in hexane solution. These spectra are related to the one ca…