相关论文: The Lennard Jones Potential Revisited -- Analytica…

In this paper, we extend the discrete-to-continuum procedure we developed in our previous work to derive a continuum variational model for a hexagonal twisted bilayer material in which one layer is fixed. We use a discrete energy containing…

In Ref. [1], a method was proposed to calculate QED corrections to hadronic self energies from lattice QCD without power-law finite-volume errors. In this paper, we extend the method to processes which occur at second-order in the weak…

We study the large scale evolution of a scalar lattice excitation which satisfies a discrete wave-equation in three dimensions. We assume that the dispersion relation associated to the elastic coupling constants of the wave-equation is…

We study minimizers of the two-dimensional Ginzburg-Landau energy with applied magnetic field, between the first and second critical fields. In this regime, minimizing configurations exhibit densely packed hexagonal vortex lattices, called…

We propose an exact Hamiltonian lattice theory for (2+1)-dimensional spacetimes with homogeneous curvature. By gauging away the lattice we find a generalization of the ``polygon representation'' of (2+1)-dimensional gravity. We compute the…

In this work we investigate the interatomic correlation moments in two-dimensional model of a weakly anharmonic crystal (i.e., not very high temperatures) with hexagonal lattice, using the Correlative Method of Unsymmetrized Self-Consistent…

We study the limit of large onsite repulsion of the one-dimensional Bose-Hubbard model at low densities, and derive a strong-coupling effective Hamiltonian. By taking the lattice parameter to zero, the Hamiltonian becomes a continuum model…

We show that the Gross-Pitaevskii equation with cubic nonlinearity, as a model to describe the one dimensional Bose-Einstein condensates loaded into a harmonically confined optical lattice, presents a set of ground states which is orbitally…

In this paper, we investigate periodic vibrations of a group of particles with a dihedral configuration in the plane governed by the Lennard-Jones and Coulomb forces. Using the gradient equivariant degree, we provide a full topological…

The method of many body Green's functions is used to derive algebraic expressions for the different elastic and thermodynamical quantities such as the free energy, internal energy, entropy, heat capacity, elastic constants (adiabatic and…

Different computational techniques in combination with molecular dynamics computer simulation are used to to determine the wall-liquid and the wall-crystal interfacial free energies of a modified Lennard-Jones (LJ) system in contact with a…

Excitations of disordered systems such as glasses are of fundamental and practical interest but computationally very expensive to solve. Here we introduce a technique for modeling these excitations in an infinite disordered medium with a…

A Slave-Boson perturbational approach to ground-state properties of the $U\to\infty$ periodic Anderson model is derived as an expansion around the Atomic Limit ($V=0$). In the case of zero temperature any constraint-integral or limiting…

The Embedded-Atom Model (EAM) provides a phenomenological description of atomic arrangements in metallic systems. It consists of a configurational energy depending on atomic positions and featuring the interplay of two-body atomic…

In the current work we revisit the pair-potential recently proposed by Wang et al. (Phys. Chem. Chem. Phys. 10624, 22, 2020) as a well defined finite-range alternative to the widely used Lennard-Jones interaction model. The advantage of…

A complete formulation is given of an exact kinetic theory for lattice gases. This kinetic theory makes possible the calculation of corrections to the usual Boltzmann / Chapman-Enskog analysis of lattice gases due to the buildup of…

Evaluation of internal energy and the inter-atomic or ionic interactions in a crystal lattice usually requires precise calculation of lattice sums. This in the case of small nano-particles (as space-limited domains) presents several…

Global equilibrium fragmentation inside a freeze out constraining volume is a working hypothesis widely used in nuclear fragmentation statistical models. In the framework of classical Lennard Jones molecular dynamics, we study how the…

In this work we discuss a modified version of Excluded Volume Hadron Resonance Gas model and also study the effect of Lorentz contraction of the excluded volume on scaled pressure and susceptibilities of conserved charges. We find that the…

Drawing on experimental data for baryon resonances, Hamiltonian effective field theory (HEFT) is used to predict the positions of the finite-volume energy levels to be observed in lattice QCD simulations of the lowest-lying $J^P=1/2^-$…