Search results for "MODY"
showing 10 items of 4576 documents
Réseaux de distribution de l’énergie et sobriété énergétique des territoires, les apports d’une approche thermodynamique et métabolique des systèmes …
2017
Dans le contexte de transition énergétique et de crise environnementale actuel, les intérêts des approches territoriales et systémiques de l’énergie semblent aujourd’hui admis. Cependant et malgré les nombreuses avancées dans les domaines technologiques, en matière d’urbanisme et d’aménagement ou bien encore en termes d’approches psycho-sociales et comportementales, les courbes de consommations énergétiques peinent à s’infléchir. Fort de ce constat, nous posons l’hypothèse, sur la base d’éléments théoriques empruntés à la thermodynamique et à la biologie, du rôle potentiel que pourraient jouer les réseaux de distribution énergétique, leurs caractéristiques, leur morphologie et leur dynamiqu…
Blends of Semiflexible Polymers: Interplay of Nematic Order and Phase Separation
2021
Mixtures of semiflexible polymers with a mismatch in either their persistence lengths or their contour lengths are studied by Density Functional Theory and Molecular Dynamics simulation. Considering lyotropic solutions under good solvent conditions, the mole fraction and pressure is systematically varied for several cases of bending stiffness κ (the normalized persistence length) and chain length N. For binary mixtures with different chain length (i.e., NA=16, NB=32 or 64) but the same stiffness, isotropic-nematic phase coexistence is studied. For mixtures with the same chain length (N=32) and large stiffness disparity (κB/κA=4.9 to 8), both isotropic-nematic and nematic-nematic unmixing oc…
Efficient numerical methods for simulating continuous casting processes
2014
Numerical studies of transport in complex many-particle systems far from equilibrium
2012
In this Thesis, transport in complex nonequilibrium many-particle systems is studied using numerical master equation approach and Monte Carlo simulations. We focus on the transport of the center-of-mass of deformable objects with internal structure. Two physical systems are studied in detail: linear polymers using the Rubinstein-Duke model and single-layer metal-on-metal atomic islands using a semi-empirical lattice model. Polymers and islands are driven out of thermodynamic equilibrium by strong static and time-dependent external forces. Topics covered in this work include introductions to nonequilibrium statistical mechanics, master equations and computational methods, with construction a…
Benson group additivity values of phosphines and phosphine oxides: Fast and accurate computational thermochemistry of organophosphorus species
2018
Composite quantum chemical methods W1X-1 and CBS-QB3 are used to calculate the gas phase standard enthalpy of formation, entropy, and heat capacity of 38 phosphines and phosphine oxides for which reliable experimental thermochemical information is limited or simply nonexistent. For alkyl phosphines and phosphine oxides, the W1X-1, and CBS-QB3 results are mutually consistent and in excellent agreement with available G3X values and empirical data. In the case of aryl-substituted species, different computational methods show more variation, with G3X enthalpies being furthest from experimental values. The calculated thermochemical data are subsequently used to determine Benson group additivity …
Volume preserving mean curvature flows near strictly stable sets in flat torus
2021
In this paper we establish a new stability result for the smooth volume preserving mean curvature flow in flat torus $\mathbb T^n$ in low dimensions $n=3,4$. The result says roughly that if the initial set is near to a strictly stable set in $\mathbb T^n$ in $H^3$-sense, then the corresponding flow has infinite lifetime and converges exponentially fast to a translate of the strictly stable (critical) set in $W^{2,5}$-sense.
Merging Features from Green's Functions and Time Dependent Density Functional Theory: A Route to the Description of Correlated Materials out of Equil…
2016
We propose a description of nonequilibrium systems via a simple protocol that combines exchange-correlation potentials from density functional theory with self-energies of many-body perturbation theory. The approach, aimed to avoid double counting of interactions, is tested against exact results in Hubbard-type systems, with respect to interaction strength, perturbation speed and inhomogeneity, and system dimensionality and size. In many regimes, we find significant improvement over adiabatic time dependent density functional theory or second Born nonequilibrium Green's function approximations. We briefly discuss the reasons for the residual discrepancies, and directions for future work.
Predictions of exclusive $\Upsilon$ photoproduction at the LHC and future colliders
2022
The cross section for exclusive $\Upsilon$ ultraperipheral photoproduction at present and future colliders is determined using the low $x$ gluon PDF extracted from an analysis of exclusive $J/\psi$ measurements performed at HERA and the LHC. Predictions are given at next-to-leading order in collinear factorisation over a wide $\gamma p$ centre-of-mass energy range, calculated assuming the non-relativistic approximation for the $\Upsilon$ wave function, and with skewing corrections incorporated.
Open-source QCD analysis of nuclear parton distribution functions at NLO and NNLO
2019
We present new sets of nuclear parton distribution functions (nPDFs) at next-to-leading order (NLO) and next-to-next-to-leading order (NNLO). Our analyses are based on deeply inelastic scattering data with charged-lepton and neutrino beams on nuclear targets. In addition, a set of proton baseline PDFs is fitted within the same framework with the same theoretical assumptions. The results of this global QCD analysis are compared to existing nPDF sets and to the fitted cross sections. Also, the uncertainties resulting from the limited constraining power of the included experimental data are presented. The published work is based on an open-source tool, xFitter, which has been modified to be ap…
Next-to-leading order Balitsky-Kovchegov equation beyond large Nc
2020
We calculate finite-Nc corrections to the next-to-leading order (NLO) Balitsky-Kovchegov (BK) equation. We find analytical expressions for the necessary correlators of six Wilson lines in terms of the two-point function using the Gaussian approximation. In a suitable basis, the problem reduces from the diagonalization of a six-by-six matrix to the diagonalization of a three-by-three matrix, which can easily be done analytically. We study numerically the effects of these finite-Nc corrections on the NLO BK equation. In general, we find that the finite-Nc corrections are smaller than the expected 1/N2c∼10%. The corrections may be large for individual correlators, but have less of an influence…