中文
相关论文

相关论文: Realistic interatomic potential for MD simulations

200 篇论文

A molecular dynamics (MD) simulation is used to quantitatively analyze the induced membrane potential for an applied external field varied between 0.4 V/nm to 2.0 V/nm. The change in the electrostatic potential in the DPPC is directly…

生物物理 · 物理学 2023-11-02 Shadeeb Hossain

The recent works by the present authors predicted that the real part of heavy-ion optical potentials changes its character from attraction to repulsion around the incident energy per nucleon E/A = 200 - 300 MeV on the basis of the complex…

核理论 · 物理学 2011-01-20 T. Furumoto , Y. Sakuragi , Y. Yamamoto

Calculations are made of the $K^{+}+^{12}$C, $^{40}$Ca differential elastic scattering cross sections at the beam momenta 0.635, 0.715, and 0.8 GeV/c. To this end the microscopic optical potential derived in the high-energy approximation…

核理论 · 物理学 2009-01-16 V. K. Lukyanov , E. V. Zemlyanaya , K. V. Lukyanov , K. M. Hanna

A study of the interaction of loosely bound nuclei 6,7Li at 9 and 19 AMeV with light targets has been undertaken. With the determination of unambiguous optical potentials in mind, elastic data for four projectile-target combinations and one…

核实验 · 物理学 2009-11-10 F. Carstoiu , L. Trache , R. E. Tribble , C. A. Gagliardi

Recently, we developed a method to construct polynomial interatomic potentials from ab-initio calculations in order to accurately describe laser excited solids [PRL 124, 085501 (2020)]. However, ab-initio methods, and therefore analytical…

材料科学 · 物理学 2021-10-07 Bernd Bauerhenne , Martin E. Garcia

The embedded atom method (EAM) potentials are probably the most widely used interatomic potentials for metals and alloys. However, the EAM potentials impose three constraints on elastic constants that are inconsistent with experiments. At a…

材料科学 · 物理学 2015-06-11 L. G. Zhou , Hanchen Huang

The differential cross section for radiative capture of protons by deuterons is calculated using different realistic NN interactions. We compare our results with the available experimental data below $E_x = 20 MeV$. Excellent agreement is…

核理论 · 物理学 2009-10-31 W. Schadow , W. Sandhas

Using the optimized effective potential method in conjunction with the semi-analytical approximation due to Krieger, Li and Iafrate, we have performed fully self-consistent exact exchange-only density-functional calculations for diatomic…

chem-ph · 物理学 2008-02-03 T. Grabo , E. K. U. Gross

Energies of np (n=6-9), ns (n=7-9), nd (n=6-8), and nf (n=5-6) states in Tl I and Pb II are obtained using relativistic many-body perturbation theory. Reduced matrix elements, oscillator strengths, transition rates, and lifetimes are…

原子物理 · 物理学 2009-11-10 U. I. Safronova , M. S. Safronova , W. R. Johnson

The viscosity and thermal conductivity of binary, ternary and quaternary mixtures of helium, neon, argon, and krypton at low density are computed for wide ranges of temperature and molar fractions, applying the Chapman-Enskog method. Ab…

计算物理 · 物理学 2020-07-24 Felix Sharipov , Victor J. Benites

The formalism of two coupled Dirac equations within constraint instant form dynamics is used to study the nucleon-nucleon interaction. The salient features and the final Schroedinger type equation is given. Explicitly energy dependent…

核理论 · 物理学 2007-05-23 H. V. von Geramb , B. Davaadorj , St. Wirsching

A potential between mesons is extracted from 4-point functions within lattice gauge theory taking 2+1 dimensional QED as an example. This theory possesses confinement and dynamical fermions. The resulting meson-meson potential has a…

高能物理 - 格点 · 物理学 2009-10-28 H. R. Fiebig , O. Linsuain , H. Markum , K. Rabitsch

We construct a folding potential between the $\alpha$ and $\Lambda$ particles based on underlying nucleon-nucleon and hyperon-nucleon interactions. Starting from a phenomenological $\Lambda$-N potential and a Gaussian form of the…

核理论 · 物理学 2022-08-09 Htun Htun Oo , Hiroyuki Kamada

A new method for the determination of the real part of the elastic scattering amplitude is examined for high energy proton-proton and proton-nuclei elastic scattering at small momentum transfer. This method allows to decrease the number of…

高能物理 - 唯象学 · 物理学 2007-05-23 B. Nicolescu , O. V. Selyugin

Recent optical-potential studies of the phenomenology of kaonic atoms are reviewed. It is shown that the data can be fitted by a complex optical potential with either a relatively shallow attractive component (about -50 MeV at…

核理论 · 物理学 2009-11-07 Avraham Gal

We investigate the short distance behavior of nucleon-nucleon (NN) potentials defined through Bethe-Salpeter wave functions, by perturbatively calculating anomalous dimensions of 6-quark operators in QCD. Thanks to the asymptotic freedom of…

高能物理 - 格点 · 物理学 2015-05-18 Sinya Aoki , Janos Balog , Peter Weisz

The spectral function of the closed-shell Neon atom is computed by expanding the electron self-energy through a set of Faddeev equations. This method describes the coupling of single-particle degrees of freedom with correlated two-electron,…

化学物理 · 物理学 2009-11-13 C. Barbieri , D. Van Neck , W. H. Dickhoff

It is demonstrated that the elastic diffractive scattering of nucleons at collision energies higher than 540 GeV and transferred momenta lower than 2 GeV, including the Coulomb-nuclear interference region, can be described in the framework…

高能物理 - 唯象学 · 物理学 2021-01-05 A. A. Godizov

Calculating microscopic optical potentials for elastic nucleon-nucleus scattering has already led to large body of work in the past. For folding first-order calculations the nucleon-nucleon (NN) interaction and the one-body density of the…

核理论 · 物理学 2019-04-24 M. Burrows , Ch. Elster , S. P. Weppner , K. D. Launey , P. Maris , A. Nogga , G. Popa

We study certain physical observables of isoscalar heavy baryons using potential models based on hadronic degrees of freedom. The goal is to compare these results with those from an effective theory obtained in a combined heavy quark and…

核理论 · 物理学 2016-09-08 Z. Aziza Baccouche , Thomas D. Cohen