相关论文: Realistic interatomic potential for MD simulations

The matrix elements of relativistic nucleon-nucleon $(NN)$ potentials are calculated directly from the nonrelativistic potentials as a function of relative $NN$ momentum vectors, without using a partial wave decomposition. To this aim, the…

Large-scale simulations of plastic deformation and phase transformations in alloys require reliable classical interatomic potentials. We construct an embedded-atom method potential for niobium as the first step in alloy potential…

Chemical segregation and structural transitions at interfaces are important nanoscale phenomena, making them natural targets for atomistic modeling, yet interatomic potentials must be fit to secondary physical properties. To isolate the…

We present a new method to calculate the total ion-ion interaction potential in terms of building blocks which we refer to as "single-particle interaction potentials". This allows also to compose the separate contributions from neutrons and…

The optical model potentials for nucleon-nucleus elastic scattering at $65$~MeV are calculated for $^{12}$C, $^{16}$O, $^{28}$Si, $^{40}$Ca, $^{56}$Fe, $^{90}$Zr and $^{208}$Pb in first order multiple scattering theory, following the…

We derive a zero-range pseudopotential that includes all possible terms up to sixth order in derivatives. Within the Hartree-Fock approximation, it gives the average energy that corresponds to a quasi-local nuclear Energy Density Functional…

We study the properties of nuclear matter with lattice nucleon-nucleon ($NN$) potential in the relativistic Brueckner-Hartree-Fock (RBHF) theory. To use this potential in such a microscopic many-body theory, we firstly have to construct a…

Artificial neural networks are used to fit a potential energy surface. We demonstrate the benefits of using not only energies, but also their first and second derivatives as training data for the neural network. This ensures smooth and…

An approach to calculate microscopic optical potential (OP) with the real part obtained by a folding procedure and with the imaginary part inherent in the high-energy approximation (HEA) is applied to study the $^8$He+p elastic scattering…

An interatomic potential (termed EAM-21) has been developed with the embedded atomic method (EAM) for CrFeMnNi quaternary HEAs. This potential is based on a previously developed potential for CrFeNi ternary alloys. The parameters to develop…

Modern Brueckner-Hartree-Fock (BHF) calculations are very successful in describing various properties of symmetric and asymmetric nuclear matter. Within BHF theory a microscopic optical potential (MOP) for nucleon-nucleus scattering is…

For the description of an H2 molecule an effective one-electron model potential is proposed which is fully determined by the exact ionization potential of the H2 molecule. In order to test the model potential and examine its properties it…

Single-particle potentials in Hartree-Fock approximation for different hyperon-nucleon (YN) channels are calculated in the framework of the effective low-momentum YN interaction V_lowk. In contrast to the nucleon-nucleon interaction, the…

Three-parametric Lenard-Jones and Morse interatomic potentials are the simplest ones, which that can be used to obtain thermophysical properties of the liquid and solid substances. Upon adjusting the model parameters to real substance…

A low-momentum nucleon-nucleon (NN) potential V-low-k is derived from modern realistic NN potentials by integrating out the high-momentum modes. The smooth V-low-k may be used as input for nuclear structure calculations instead of the usual…

The anyon exciton model is generalized to the case of a neutral exciton consisting of a valence hole and an arbitrary number N of fractionally-charged quasielectrons (anyons). A complete set of exciton basis functions is obtained and these…

An exponential version of a deep nucleon-nucleon potential involving forbidden states and a tensor component is proposed. The parameters of interaction are chosen by fitting the low-energy characteristics and phase shifts of np scattering…

Calculations of microscopic optical potentials (OP's) (their real and imaginary parts) are performed to analyze the $^6$He+p elastic scattering data at a few tens of MeV/nucleon (MeV/N). The OP's and the cross sections are calculated using…

The nuclear force acting between protons and neutrons is studied in the Monte Carlo simulations of the fundamental theory of the strong interaction, the quantum chromodynamics defined on the hypercubic space-time lattice. After a brief…

Ne atoms with energies up to 3 keV are diffracted under grazing angles of incidence from a LiF(001) surface. For a small momentum component of the incident beam perpendicular to the surface, we observe an increase of the elastic rainbow…