نتایج جستجو برای: hard spheres
تعداد نتایج: 166148 فیلتر نتایج به سال:
We improve upon all known lower bounds on the critical fugacity and density of hard sphere model in dimensions three higher. As dimension tends to infinity, our improvements are by factors 2 1.7, respectively. make these utilizing techniques from theoretical computer science show that a certain Markov chain for sampling mixes rapidly at low enough fugacities. then prove an equivalence between o...
We discuss the nature of phase transitions in self-gravitating systems both in the microcanonical and in the canonical ensemble. We avoid the divergence of the gravitational potential at short distances by considering the case of self-gravitating fermions and hard spheres models. Three kinds of phase transitions (of zeroth, first and second order) are evidenced. They separate a “gaseous” phase ...
I use recent advances in the study of the susceptibility of the Ising model to propose a new mechanism for the freezing transition which is observed in three dimensional hard spheres.
Three dimensional pharmacophores and pharmacophore searches are well established in virtual screening and have been applied successfully in many prospective and retrospective drug discovery campaigns [1]. While the pharmacophore concept offers an easy and abstract understanding of molecular properties, plenty of user intervention is required to define feasible models. Recently, Silicos NV provi...
We calculate the phase behavior of hard spheres with size polydispersity, using accurate free energies for the fluid and solid phases. Cloud and shadow curves are found exactly by the moment free energy method, but we also compute the complete phase diagram, taking full account of fractionation. In contrast to earlier, simplified treatments we find no point of equal concentration between fluid ...
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