相关论文: Phase behaviour of empirical potentials of titaniu…
Using Molecular Dynamics simulations based on the effective hamiltonian developed by Zhong, Vanderbilt and Rabe [Phys. Rev. Lett. {\bf 73}, 1861 (1994)] (and fitted on first-principles calculations only), the technique of the thermodynamic…
We develop an empirical potential for silicon which represents a considerable improvement over existing models in describing local bonding for bulk defects and disordered phases. The model consists of two- and three-body interactions with…
We study how the thermodynamic properties of the Triangular Plaquette Model (TPM) are influenced by the addition of extra interactions. The thermodynamics of the original TPM is trivial, while its dynamics is glassy, as usual in Kinetically…
The phase diagram of the prototypical two-dimensional Lennard-Jones system, while extensively investigated, is still debated. In particular, there are controversial results in the literature as concern the existence of the hexatic phase and…
We establish phase transitions for continuum Delaunay multi-type particle systems (continuum Potts or Widom-Rowlinson models) with a repulsive interaction between particles of different types. Our interaction potential depends solely on the…
We investigate the phase diagram of the compact $U(1)$ lattice gauge theory in four dimensions using a non-standard action which is invariant under continuous deformations of the plaquette angles. Just as for the Wilson action, we find a…
Itinerant ferromagnetism, i.e. spontaneous polarization of non-localized particles, is expected to occur for strong repulsive interactions in a spin-1/2 Fermi system. However, this state has proven notoriously hard to find experimentally,…
An analytical form has been derived using Ostrogradski's integration method for the interaction between two thin rods of finite lengths in arbitrary relative configurations in a 3-dimensional space, each treated as a line of material points…
By means of extensive equilibrium molecular dynamics simulations we have investigated, the behavior of the interfacial tension $\gamma$ of two immiscible symmetrical Lennard-Jones fluids. This quantity is studied as function of reduced…
A first principle prediction of the binary nanoparticle phase diagram assembled by solvent evaporation has eluded theoretical approaches. In this paper, we show that a binary system interacting through Lennard-Jones (LJ) potential contains…
Semi-empirical interatomic potentials have been developed for Al, alpha-Ti, and gamma-TiAl within the embedded atomic method (EAM) by fitting to a large database of experimental as well as ab-initio data. The ab-initio calculations were…
By using modular functions on the upper complex half-plane, we study a class of strain energies for crystalline materials whose global invariance originates from the full symmetry group of the underlying lattice. This follows Ericksen's…
A description of the martensitic transformations between the $\alpha$, $\beta$ and $\omega$ phases of titanium that includes nucleation and growth requires an accurate classical potential. Optimization of the parameters of a modified…
Using molecular dynamics simulations we study the temperature-density phase diagram of a simple model system of particles in two dimensions. In addition to translational degrees of freedom, each particle has two internal states and…
In this work we apply Thompson's method (of the dimensions) to study the quantum electrodynamics (QED). This method can be considered as a simple and alternative way to the renormalisation group (R.G) approach and when applied to QED…
The chiral phase transition at finite temperature T and/or chemical potential $\mu$ is studied using the QCD-like theory with a variational approach. The ``QCD-like theory'' means the improved ladder approximation with an infrared cutoff in…
In the ``Type-II'' regime, $m_{\rm Higgs}\gap m_{\rm gauge}$, the finite-temperature phase transition in spontaneously-broken gauge theories (including the standard model) must be be studied using a renormalization group treatment. Previous…
A three-dimensional phase-field approach to martensitic transformations that uses reaction pathways in place of a Landau potential is introduced and applied to a model of Fe3Ni. Pathway branching involves an unbounded set of variants…
The Z2 gauge-Higgs model in three dimensions has two different types of phase transition, confinement-deconfinement and Higgs magnetization. Here they are explored through two order parameters, the Coulomb magnetization which is a local…
Phase structure and phase transitions in dense QCD are studied using the Cornwall-Jackiw-Tomboulis (CJT) potential in the improved ladder approximation. The gap function, the condensation energy and the structure of Cooper pairs are…