Related papers: Freezing transition in three and two dimensions by…
A fundamental assumption of the dynamical density functional theory (DDFT) of colloidal systems is that a grand-canonical free energy functional may be employed to generate the thermodynamic driving forces. Using one-dimensional hard-rods…
Fractons are particles that cannot move in one or more directions without paying energy proportional to their displacement. Here, we introduce the concept of symmetry enforced fractonicity, in which particles are fractons in the presence of…
The detailed fluctuation theorem (DFT) is a statement about the asymmetry in the statistics of the entropy production. Consequences of the DFT are the second law of thermodynamics and the thermodynamics uncertainty relation (TUR), which…
Density functional theory (DFT) underpins modern atomistic simulations of transition-metal surfaces. It can predict key properties linked to catalytic performance, such as adsorption energies and barrier heights, enabling new paradigms in…
We report Monte Carlo results for the two-dimensional hard disk system in the transition region. Simulations were performed in the NVT ensemble with up to 1024^2 disks. The scaling behaviour of the positional and bond-orientational order…
While in principle, finite temperature density functional theory (ftDFT) should be a powerful tool for the study of crystallization, in practice this has not so far been the case. Progress has been hampered by technical problems which have…
We generalize, and then use, a recently introduced formalism to study thermal fluctuations of atomic displacements in several two and three dimensional crystals. We study both close packed as well as open crystals with multi atom bases.…
This paper studies DFT models for homogeneous 2D materials in 3D space, under a constant perpendicular magnetic field. We show how to reduce the three--dimensional energy functional to a one--dimensional one, similarly as in our previous…
Starting from Newton's equations of motion, we derive a dynamical density functional theory (DDFT) applicable to atomic liquids. The theory has the feature that it requires as input the Helmholtz free energy functional from equilibrium…
A model of dipolar dimer liquid (DDL) on a two-dimensional lattice has been proposed. We found that at high density and low temperature, it has a partially ordered phase which we called glacia phase. The glacia phase transition can be…
Although it is recognized that Anderson localization takes place for all states at a dimension $d$ less or equal $2$, while delocalization is expected for hopping $V(r)$ decreasing with the distance slower or as $r^{-d}$, the localization…
The problem of magnetic transitions between the low-temperature (macrospin ordered) phases in 2D XY arrays is addressed. The system is modeled as a plane structure of identical single-domain particles arranged in a square lattice and…
We present a numerical and theoretical study that supports and explains recent experimental results on anomalous magnetization fluctuations of a uniaxial ferromagnetic film in its low-temperature phase, which is forced by an oscillating…
We investigate the phase behaviour of a two-dimensional colloidal model system of ultra-soft particles on a substrate which varies periodically along one spatial direction. Our calculations are based on mean-field density functional theory…
We theoretically explore the crossover from three dimensions (3D) to two (2D) in a strongly interacting atomic Fermi superfluid through confining the transverse spatial dimension. Using the gaussian pair fluctuation theory, we determine the…
We explore the derivation of interatomic exchange interactions in ferromagnets within density-functional theory (DFT) and the mapping of DFT results onto a spin Hamiltonian. We delve into the problem of systems comprising atoms with strong…
We present a molecular dynamics simulation study of the phase diagram and melting scenarios of two-dimensional Hertzian spheres with exponent 7/2. We have found multiple re-entrant melting of a single crystal with a triangular lattice in a…
We study a two-dimensional fluid of particles interacting through a spherically-symmetric and marginally soft two-body repulsion. This model can exist in three different crystal phases, one of them with square symmetry and the other two…
A combination of systematic density functional theory (DFT) calculations and machine learning techniques has a wide range of potential applications. This study presents an application of the combination of systematic DFT calculations and…
We present experimental evidence for a first-order freezing/melting phase transition in a nonequilibrium system -- an oscillated two-dimensional isobaric granular fluid. The steady-state transition occurs between a gas and a crystal and is…