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In this paper, we introduce a novel, adapted approach for computing gas adsorption properties in porous materials. We analyze the Dubinin-Polanyi's adsorption model and investigate various frameworks to estimate its required essential…
By means of Diffusion Monte Carlo calculations, we obtained the complete phase diagrams of H$_2$ adsorbed on the outer surface of isolated armchair carbon nanotubes of radii ranging from 3.42 to 10.85 \AA. We only considered density ranges…
We study the zero-temperature phase diagram of the half-filled one-dimensional ionic Hubbard model. This model is governed by the interplay of the on-site Coulomb repulsion and an alternating one-particle potential. Various many-body energy…
Motivated by the recent surge of transverse-field experiments on quasi-one-dimensional antiferromagnets Sr(Ba)Co$_2$V$_2$O$_8$, we investigate the quantum phase transition in a Heisenberg-Ising chain under a combination of two in-plane…
We study the spatially homogeneous phases of polar active particles in the low density limit, and specifically the transition from the isotropic phase to collective polar motion. We show that the fundamental quantity of interest for the…
Theoretical framework for the isosteric heat of adsorption is developed treating the effects of the non-ideal gas behavior and the adsorbed phase volume. Rigorous thermodynamic treatment for the adsorbed phase volume is presented for…
Dry active matter in an anisotropic medium is of experimental relevance, and the interplay between anisotropy and the dynamics of the active matter remains under-explored. Here, we derive the hydrodynamic equations of a generic dry polar…
Jamming transition is traditionally regarded as a geometric transition governed by static contact networks. Recently, dynamic phase transitions of athermal particles under periodic shearing provide a new lens on this problem, leading to a…
In this work we report studies of nitrogen adsorption and desorption onto solid surfaces using computer simulations of the three dimensional Ising model, for systems with complex porous structures at the mesoscopic and microscopic levels. A…
Phase transitions and critical phenomena are among the most intriguing phenomena in nature and society. They are classified as first-order phase transitions (FOPTs) and continuous ones. While the latter show marvelous phenomena of scaling…
We study the yielding transition of a two dimensional amorphous system under shear by using a mesoscopic elasto-plastic model. The model combines a full (tensorial) description of the elastic interactions in the system, and the possibility…
Helium is recognized as a model system for the study of phase transitions. Of particular interest is the superfluid phase in two dimensions. We report measurements on superfluid helium films adsorbed on the surface of a suspended carbon…
The universality class of thermally diluted Ising systems, in which the realization of the disposition of magnetic atoms and vacancies is taken from the local distribution of spins in the pure original Ising model at criticality, is…
Liquid crystals in two dimensions undergo a first-order isotropic-to-quasi-nematic transition, provided the particle interactions are sufficiently ``sharp and narrow''. This implies phase coexistence between isotropic and quasi-nematic…
We study the effects of smooth inhomogeneities at first-order transitions. We show that a temperature gradient at a thermally-driven first-order transition gives rise to nontrivial universal scaling behaviors with respect to the length…
We consider the ground-state properties of the s=1/2 Ising chain in a transverse field which varies regularly along the chain having a period of alternation 2. Such a model, similarly to its uniform counterpart, exhibits quantum phase…
Nucleation and growth is studied in a system undergoing diffusion-controlled condensation under gradual changes in parameters, such as cooling. It is demonstrated that when Gibbs-Thompson effect becomes negligible, the system falls into a…
Continuous phase transitions are studied in a two dimensional nonequilibrium model with an infinite number of absorbing configurations. Spreading from a localized source is characterized by nonuniversal critical exponents, which vary…
Monte Carlo simulations and finite-size scaling analysis have been carried out to study the critical behavior and universality for the isotropic-nematic phase transition in a system of long straight rigid rods of length $k$ ($k$-mers) on…
We use the two-step density-matrix renormalization group method to elucidate the long-standing issue of the universality class of the Mott transition in the Hubbard model in two dimensions. We studied a spatially anisotropic two-dimensional…