相关论文: Atomistic Model Potential for PbTiO3 and PMN by Fi…

Within a mean field approximation, we study a nontopological soliton solution of the Polyakov quark-meson model in the presence of a fermionic vacuum term with two flavors at finite temperature and density. The profile of the effective…

In this thesis, we develop a simple model potential for polar molecules that effectively and accurately represents the thermodynamics of dilute gases. This potential models dipolar interactions, with a nonpolar spherical component, as seen…

We have studied the Devonshire-Landau potential underlying the phase transition sequence of BaTiO3 using the first-principles effective Hamiltonian of Zhong, Vanderbilt, and Rabe [Phys. Rev. Lett. 73, 1861 (1994)], which has been very…

Based on a theory of extra dimensional confinement of quantum particles [E. R. Hedin, Physics Essays 25, 2 (2012)], a simple model of a nucleon-nucleon (NN) central potential is derived which quantitatively reproduces the radial profile of…

Polymer self-consistent field theory techniques are used to find radial electron densities and total binding energies for isolated atoms. Quantum particles are modelled as Gaussian threads with ring-polymer architecture in a four…

We investigate the structural and dynamical properties of binary aluminum-titanium liquid metallic alloys, as a function of temperature and composition. We make use of MD-simulations, using a transferable machine-learning potential…

Particle production in central Pb-Pb collisions at LHC is discussed in the context of the Statistical Model. Predictions of various particle ratios are presented with the corresponding choice of model parameters made according to the…

An effective Hamiltonian for the ferroelectric transition in $PbTiO_3$ is constructed from first-principles density-functional-theory total-energy and linear-response calculations through the use of a localized, symmetrized basis set of…

We report a molecular dynamics simulation of melting of tungsten (W) nanoparticles. The modified embedded atom method (MEAM) interatomic potentials are used to describe the interaction between tungsten atoms. The melting temperature of…

Using neutron elastic and inelastic scattering and high-energy x-ray diffraction, we present a comparison of 40% Pb(Mg$_{1/3}$Nb$_{2/3}$)O$_{3}$-60% PbTiO$_{3}$ (PMN-60PT) with pure Pb(Mg$_{1/3}$Nb$_{2/3}$)O$_{3}$ (PMN) and PbTiO$_{3}$…

We review some of the current research on two of the ultra-high piezoelectric relaxors Pb(Mg1/3Nb2/3)O3 (PMN) and Pb(Zn1/3Nb2/3)O3 (PZN). The discovery of a monoclinic phase in Pb(Zr1-xTix)O3 (PZT) in 1999 by Noheda et al. forced a…

The nuclear shell model has been perhaps the most important conceptual and computational paradigm for the understanding of the structure of atomic nuclei. While the shell model has been predominantly used in a phenomenological context,…

The relaxor PbMg$_{1/3}$Nb$_{2/3}$O$_{3}$ (PMN) has received attention due to its potential applications as a piezoelectric when doped with PbTiO$_{3}$ (PT). Previous results have found that there are two phases existing in the system, one…

Pb(Mg$_{1/3}$Nb$_{2/3}$)O$_{3}$ is one of the simplest representatives of the class of lead relaxors and often serves as a model system for more complicated compounds. In this paper we analyse both polarized and depolarized Raman scattering…

The present paper is a review of the phenomena related to non-equilibrium electron relaxation in bulk and nano-scale metallic samples. The workable Two-Temperature Model (TTM) based on Boltzmann-Bloch-Peierls (BBP) kinetic equation has been…

The thermodynamic behavior of the two-flavor($N_f=$2) three-color ($N_c=3$) Polyakov-loop-extended Nambu-Jona-Lasinio model at the finite chemical potential is investigated. New lattice gluon data for gluon thermodynamics are used defining…

Thermal behavior of isoscalar and isovector proton-neutron (pn) pairing energies at finite temperature are investigated by the shell model calculations. These pn pairing energies can be estimated by double differences of "thermal" energies…

A mass formula (BWM) without shell effect is employed to study the variation of the shell effect in Pb isotopes through comparison with the experimental data. Unlike other macroscopic formulae, the BWM reproduces the general trend of the…

We discuss the thermodynamics of the O(N) nonlinear sigma model in 1+1 dimensions. In particular we investigate the NLO 1/N correction to the 1PI finite temperature effective potential expressed in terms of an auxiliary field. The effective…

Describing the interactions of water molecules is one of the most common, yet critical, tasks in molecular dynamics simulations. Because of its unique properties, hundreds of attempts have been made to construct an ideal interaction…