Related papers: Liquid and solid phases of 3He on graphite
In recent work it was shown that new anisotropic p-wave states of superfluid 3He can be stabilized within high porosity silica aerogel under uniform positive strain [1]. In contrast, the equilibrium phase in an unstrained aerogel, is the…
The dynamic structure factor and the eigenmodes of density fluctuations in the uniform liquid $^3$He are studied using a novel non-perturbative approach. This new version of the self-consistent method of moments invokes up to nine sum rules…
We obtain the phase diagram of the hard core lattice gas with third nearest neighbor exclusion on the triangular lattice using Monte Carlo simulations that are based on a rejection-free flat histogram algorithm. In a recent paper [J. Chem.…
Water at solid surfaces is key for many processes ranging from biological signal transduction to membrane separation and renewable energy conversion. However, under realistic conditions, which often include environmental and surface charge…
We report theoretical and numerical evaluations of the phase diagram for patchy colloidal particles of new generation. We show that the reduction of the number of bonded nearest neighbours offers the possibility of generating liquid states…
Using density-functional ab initio calculations, we provide a revised phase diagram of (Ga$_{1-x}$In$_{x})_2$O$_3$. Three phases --monoclinic, hexagonal, cubic bixbyite-- compete for the ground state. In particular, in the $x$$\sim$0.5…
The thermodynamics of solid/liquid interfaces under nanoconfinement has tremendous implications for liquid transport properties. Here using molecular dynamics, we investigate graphite nanoslits and study how the water/graphite interfacial…
We study the behavior of hydrated graphite oxide (GO) at high temperatures using thermally accelerated molecular dynamics simulations based on ab initio density functional theory. Our results suggest that GO, a viable candidate for water…
Graphynes are 2D porous structures deriving from graphene featuring triangular and regularly distributed subnanometer pores, which may be exploited to host small gaseous species. First principles adsorption energies of molecular hydrogen…
We consider theoretically the possibility of observing unusual quantum fluid behavior in liquid $^{3}$He and solutions of $^{3}$He in $^{4}$He systems confined to nano-channels. In the case of pure ballistic flow at very low temperature…
We investigate the competition between electron-solid and quantum-liquid phases in graphene, which arise in partially filled Landau levels. The differences in the wave function describing the electrons in the presence of a perpendicular…
Liquid-phase exfoliation, the use of a sheared liquid to delaminate graphite into few-layer graphene, is a promising technique for the large-scale production of graphene. But the micro and nanoscale fluid-structure processes controlling the…
3He confined in aerogel in the millikelvin temperature domain exemplifies a Fermi liquid in the presence of disorder. In confined 3He systems, a solid layer of 3He atoms forms on the confining medium. This system can then be viewed as a…
Dispersing graphite in water to obtain true (single layer) graphene (SLG) in bulk quantity in a liquid has been an unreachable goal for materials scientists in the last decade. Likewise, a diagnostic tool for identifying solubilized SLG in…
Understanding the phase behaviors of nanoconfined water has driven notable research interests recently. In this work, we examine the structures and thermodynamics of water encapsulated under a graphene cover. We find layered water…
The possible occurrence of bound states of He-3 atoms in the vicinity of a weakly attractive substrate coated with a thin superfluid He-4film is investigated by first principle computer simulations. No evidence is seen of such bound states,…
Recent experiments on He3 bilayers adsorbed on Graphite have shown striking quantum critical properties at the point where the first layer localizes. We model this system with the Anderson lattice plus inter-layer Coulomb repulsion in two…
We study the adsorption-desorption of fluid molecules on a solid substrate by introducing a schematic model in which the adsorption/desorption transition probabilities are given by irreversible kinetic constraints with a tunable violation…
Carbon dioxide (CO2) hydrates hold promising applications in capturing and separating CO2 for climate change mitigation. Understanding their behavior at the molecular level is therefore essential, and computer simulations have become…
Through Monte Carlo simulations and the Associating Lattice Gas Model, the phases of a two-dimensional fluid under hydrophilic confinement are evaluated. The model, in its unconfined version, reproduces the anomalous behavior of water…