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DTSTART;VALUE=DATE:20231006T153000
DTEND;VALUE=DATE:20231006T153000
UID:14410@agenda.unifr.ch
DESCRIPTION:How to best describe a classical fluid? And moreover why does it \npresent an interesting subject of study?\nThe term fluid incorporates both gases and liquids and implies a \ndisordered state of matter. Real fluids are nontrivial many-body \nsystems due to their complex interparticle interactions and the \nresulting collective motion. Detailed theoretical description on the \nmicroscopic level is thus difficult. However it is possible to capture \nand predict the central aspects of their behaviour by using more \nsimple model fluids which focus on the essential physical features \nof the system. A couple of such examples are a system of purely \nhard-spheres (that already enables study of packing effects) or a \nfluid of Lennard-Jones particles.\nThis latter case is interesting in equilibrium study since particles \nexhibiting a combination of attraction and repulsion in their \ninteraction potential can undergo a phase transition. This then \nleads to the coexistence of liquid and gas phases. Starting from a \nfundamental idea of van der Waals, namely that the packing \npattern of particles is mostly dominated by the repulsive part of \ntheir pair potential while the attractive part can be regarded as a \nperturbation, we will show how to treat accurately such systems \nusing modern methods of statistical mechanics. One of the main \nresults presented will be a study of the liquid-gas interface which, \ndespite being a commonplace phenomenon, remains a \ncontroversial `hot topic' in the field.\nFor the second part of the presentation we will leave the world of \nequilibrium physics and consider the nonequilibrium dynamics of \nclassical fluids for which the particles undergo Brownian motion. \nWe will focus on hard-spheres in three dimensions and investigate \nthe collective dynamics of the system in response to various timedependent external potentials. The main point of interest is that \nour new theoretical approach, the so-called superadiabatic-DDFT, \ncaptures memory effects and enables first-principles predictions to \nbe made, in excellent agreement with direct many-particle \nsimulations.
SUMMARY:New approaches to classical (dynamical)  density functional theory by including  inhomogeneous two-body correlation functions 
CATEGORIES:Soutenance de mémoire/thèse
LOCATION:PER 08\, 2.73\, Chemin du Musée 3\, 1700 Fribourg
URL;VALUE=URI:https://agenda.unifr.ch/e/fr/14410
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