arXiv subjects

Peter Gurin

Publications and source records attributed to Peter Gurin.

8 recordsLinked to original sources

arXiv2020

Demixing and tetratic ordering in some binary mixtures of hard superellipses

We examine the fluid phase behaviour of the binary mixture of hard superellipses using the scaled particle theory The superellipse is a general two dimensional convex object which can be tuned between circular and rectangular shapes continuously at a given aspect ratio. We find that the shape of the particle affects strongly the stability of isotropic nematic and tetratic phases even if the aspect ratios of both species are fixed. While the isotropic isotropic demixing transition can be ruled out using the scaled particle theory the first order isotropic nematic and the nematic nematic demixing transition can be stabilized with strong fractionation between the components. It is observed that the demixing tendency is strongest in small rectangle large ellipse mixtures. Interestingly, it is possible to stabilize the tetratic order at lower densities in the mixture of hard squares and rectangles where the long rectangles form nematic phase, while the squares stay in tetratic order.

cond-mat.soft↗

arXiv2017

Ordering transitions of weakly anisotropic hard rods in narrow slit-like pores

The effect of strong confinement on the positional and orientational ordering is examined in a system of hard rectangular rods with length L and diameter D (L>D) using the Parsons-Lee modification of the second virial density functional theory. The rods are nonmesogenic (L/D<3)and confined between two parallel hard walls, where the width of the pore (H) is chosen in such a way that both planar (particle's long axis parallel to the walls) and homeotropic (particle's long axis perpendicular to the walls) orderings are possible and a maximum of two layers are allowed to form in the pore. In the extreme confinement limit of ,where only one layer structures appear, we observe a structural transition from a planar to a homeotropic fluid layer with increasing density, which becomes sharper as L->H. In wider pores (2D<H<3D) planar order with two layers, homeotropic order, and even combined bilayer structures (one layer is homeotropic, while the other is planar) can be stabilized at high densities. Moreover, first order phase transitions can be seen between different structures. One of them emerges between a monolayer and a bilayer with planar orders at relatively low packing fractions.

cond-mat.soft↗

arXiv2017

Critical behavior of hard squares in strong confinement

We examine the phase behavior of a quasi-one-dimensional system of hard squares with side-length $σ$, where the particles are confined between two parallel walls and only nearest neighbor interactions occur. As in our previous work (PRE, 94, 050603 (2016)), the transfer operator method is used, but here we impose a restricted orientation and position approximation to yield an analytic description of the physical properties. This allows us to study the parallel fluid-like to zigzag solid-like structural transition, where the compressibility and heat capacity peaks sharpen and get higher as $H \rightarrow H_c=2\sqrt{2}-1\approx 1.8284$ and $p \rightarrow p_c= \infty$. Here $H$ is the width of the channel measured in $σ$ units and $p$ is the pressure. We have found that this structural change becomes critical at the $(p_c,H_c)$ point. The obtained critical exponents belong to the universality class of the one-dimensional Ising model. We believe this behavior holds for the unrestricted orientational and positional case.

cond-mat.stat-mech↗

arXiv2017

Ordering of hard rectangles in strong confinement

Using transfer operator and fundamental measure theories, we examine the structural and thermodynamic properties of hard rectangles confined between two parallel hard walls. The side lengths of the rectangle ($L$ and $D$, $L>D$) and the pore width ($H$) are chosen such that maximum two layers are allowed to form in planar order ($L$ is parallel to the wall), while only one in homeotropic order ($D$ is parallel to the wall). We observe three different structures: (i) a low density fluid phase with parallel alignment to the wall, (ii) an intermediate and high density fluid phase with two layers and planar ordering and (iii) a dense single fluid layer with homeotropic ordering. The appearance of these phases and the change in the ordering direction with density is a consequence of the varying close packing structures with $L$ and $H$. Interestingly, even three different structures can be observed with increasing density if $L$ is close to $H$.

cond-mat.soft↗

arXiv2015

Phase behaviour and correlations of parallel hard squares: From highly confined to bulk systems

We study a fluid of two-dimensional parallel hard squares in bulk and under confinement in channels, with the aim of evaluating the performance of Fundamental-Measure Theory (FMT). To this purpose, we first analyse the phase behaviour of the bulk system using FMT and Percus-Yevick theory, and compare the results with MD and MC simulations. In a second step, we study the confined system and check the results against those obtained from Transfer Matrix Method and from our own Monte Carlo simulations. Squares are confined to channels with parallel walls at angles of 0$^{\circ}$ or 45$^{\circ}$ relative to the diagonals of the parallel hard squares, respectively, which allows for an assessment of the effect of the external-potential symmetry on the fluid structural properties. In general FMT overestimates bulk correlations, predicting the existence of a columnar phase (absent in simulations) prior to crystallisation. The equation of state predicted by FMT compares well with simulations, although the PY approach with the virial route is better in some range of packing fractions. The FMT is highly accurate for the structure and correlations of the confined fluid due to the dimensional crossover property fulfilled by the theory. Both density profiles and equations of state of the confined system are accurately predicted by the theory. The highly non-uniform pair correlations inside the channel are also very well described by FMT.

cond-mat.soft↗

arXiv2015

Beyond the single-file fluid limit using transfer matrix method: Exact results for confined parallel hard squares

We extend the transfer matrix method of one-dimensional hard core fluids placed between confining walls for that case where the particles can pass each other and at most two layers can form. We derive an eigenvalue equation for a quasi-one-dimensional system of hard squares confined between two parallel walls, where the pore width is between $σ$ and $3σ$ ( $σ$ is the side length of the square). The exact equation of state and the nearest neighbour distribution functions show three different structures: a fluid phase with one layer, a fluid phase with two layers and a solid-like structure where the fluid layers are strongly correlated. The structural transition between differently ordered fluids develops continuously with increasing density, i.e. no thermodynamic phase transition occurs. The high density structure of the system consists of clusters with two layers which are broken with particles staying in the middle of the pore.

cond-mat.stat-mech↗

arXiv2001

Exact solutions for the periodic Anderson model in 2D: A Non-Fermi liquid state in normal phase

Presenting exact solutions for the two dimensional periodic Anderson model with finite and nonzero on-site interaction U>0, we are describing a rigorous non-Fermi liquid phase in normal phase and 2D. This new state emerges in multi-band interacting Fermi systems above half filling, being generated by a flat band effect. The momentum distribution function n_k together with its derivatives of any order is continuous. The state possesses a well defined Fermi energy, but the Fermi momentum concept is not definable, so the Fermi surface in k-space is missing. The state emerges in the vicinity of a Mott insulating phase when lattice distortions are present, is highly degenerated and paramagnetic. A gap is present at high U in the density of low lying excitations. During low lying excitations, quasi-particles are not created above the Fermi level, only the number of particles at the Fermi energy increases.

cond-mat.str-el↗

arXiv2000

T>0 properties of the infinitely repulsive Hubbard model for arbitrary number of holes

Based on representations of the symmetric group $S_N$, explicit and exact Schrödinger equation is derived for $U=\infty$ Hubbard model in any dimensions with arbitrary number of holes, which clearly shows that during the movement of holes the spin background of electrons plays an important role. Starting from it, at T=0 we have analyzed the behaviour of the system depending on the dimensionality and number of holes. Based on the presented formalism thermodynamic quantities have also been expressed using a loop summation technique in which the partition function is given in terms of characters of $S_N$. In case of the studied finite systems, the loop summation have been taken into account exactly up to the 14-th order in reciprocal temperature and the results were corrected in higher order based on Monte Carlo simulations. The obtained results suggest that the presented formalism increase the efficiency of the Monte Carlo simulations as well, because the spin part contribution of the background is automatically taken into account by the characters of $S_N$.

cond-mat.str-el↗