The catalytic effect of graphene on the corannulene bowl-to-bowl inversion is confirmed in this paper using a pair-wise dispersion interaction model. In particular, continuum approach together with Lennard-Jones...

We study the equilibrium and stability of metastable states and capillary condensation hysteresis of a Lennard-Jones fluid in cylindrical pores by means of the canonical ensemble density functional theory and gauge cell Monte Carlo simulations. We demonstrate a possibility for the existence of multiple laterally uniform internal states of equal density inside the hysteresis loop. The region of ...

The ground states of Lennard-Jones (LJ) clusters are estimated by finding the Gaussian wave packets that minimize the energy functional. A "phase diagram" for LJ_{n} as a function of size (n=31,...,45) and de Boer quantum delocalization length (Lambdain[0;0.3]) is constructed, showing the stability ranges for the two competing structural motifs, the Mackay and anti-Mackay icosahedra. An increas...

We report results of calculations of the second through sixth virial coefficients for four prototype Lennard-Jones (LJ) mixtures that have been the subject of previous studies in the literature. Values are reported for temperatures ranging from T=0.6 to T=10.0, where here the temperature is given units of the LJ energy parameter of one of the components. Thermodynamic stability of the mixtures ...

Quark clustering, rather than color super-conducting, could occur in cold quark matter because of the strongly coupling between quarks at realistic baryon densities of compact stars. Although one may still not be able to calculate this conjectured matter from first principles, the inter-cluster interaction might be analogized to the interaction between inert molecules. Cold quark matter would t...