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We describe how the fast quasi-centroid molecular dynamics (f-QCMD) method can be applied to condensed phase systems by approximating the quasi-centroid potential of mean force as a sum of inter- and intra-molecular corrections to the…

Chemical Physics · Physics 2023-10-20 Joseph E. Lawrence , Annina Z. Lieberherr , Theo Fletcher , David E. Manolopoulos

Accelerated molecular dynamics (MD) simulations are implemented to model the sliding process of AFM experiments at speeds close to those found in experiment. In this study the hyperdynamics method, originally devised to extend MD time…

Materials Science · Physics 2015-05-14 Woo Kyun Kim , Michael L. Falk

The thermodynamic properties of nuclei are studied in a mean field model using a Skryme interaction. Properties of two component systems are investigated over the complete range of proton fraction from a system of pure neutrons to a system…

Nuclear Theory · Physics 2008-11-26 S. J. Lee , A. Z. Mekjian

We perform a calculation of dense and hot nuclear matter where the mean interaction between nucleons is described by in-medium effective fields and where we employ analytical approximations of the Fermi integrals. We generalize a previous…

Nuclear Theory · Physics 2024-04-19 Odilon Lourenço , Mariana Dutra , Jérôme Margueron

The development of nucleus-nucleus interaction models is a rapidly developing area of heavy-ion physics. Recently, a new model DCM-QGSM-SMM, developed at JINR and oriented toward use within the NICA project at energies of several…

This work provides a concrete implementation of E. Fermi's model of particle acceleration in magnetohydrodynamic (MHD) turbulence, connecting the rate of energization to the gradients of the velocity of magnetic field lines, which it…

High Energy Astrophysical Phenomena · Physics 2022-11-30 Martin Lemoine

Nucleon momentum distributions (NMDs) reveal essential information about Fermi motion and short-range correlations (SRCs). In extracting NMDs from inclusive electron scattering data, theoretical analyses, such as the scaling analysis, are…

Nuclear Theory · Physics 2025-12-29 Tongqi Liang , Dong Bai , Zhongzhou Ren

The phenomenological Skyrme energy density functional theory is one of the most popular theories for dealing with finite nuclei and infinite nuclear matter, including neutron star matter. However, the density dependence of the effective…

Nuclear Theory · Physics 2025-01-06 Mingya Duan , Michael Urban

In this work, we propose an effective finite-range Gogny-type interaction that can be directly used in the quantum molecular dynamics (QMD) like model. Two methods for determining the parameters of the effective interaction are discussed.…

Nuclear Theory · Physics 2025-04-22 Meiqi Sun , Dandan Niu , Junping Yang , Ying Cui , Zhuxia Li , Qiang Zhao , Kai Zhao , Yingxun Zhang

In the framework of a Fermi liquid theory it is considered the possibility of ferromagnetic and antiferromagnetic phase transitions in symmetric nuclear matter with Skyrme effective interaction. The zero temperature dependence of…

Nuclear Theory · Physics 2009-11-10 A. A. Isayev

This paper reviews Irradiation Driven Molecular Dynamics (IDMD) - a novel computational methodology for atomistic simulations of the irradiation driven transformations of complex molecular systems implemented in the MBN Explorer software…

Chemical Physics · Physics 2023-09-06 Alexey V. Verkhovtsev , Ilia A. Solov'yov , Andrey V. Solov'yov

Based on an extended Skyrme momentum-dependent interaction (MDI), we derive an isospin asymmetric equation of state, isospin-dependent single-particle potential and the Hamiltonian which can be used in the Boltzmann-Uehling-Uhlenbeck (BUU)…

Nuclear Theory · Physics 2024-05-16 Junping Yang , Xiang Chen , Ying Cui , Yangyang Liu , Zhuxia Li , Yingxun Zhang

Eighty years after its experimental discovery, a microscopic description of induced nuclear fission based solely on the interactions between neutrons and protons and quantum many-body methods still poses formidable challenges. The goal of…

Nuclear Theory · Physics 2015-06-17 N. Schunck , D. Duke , H. Carr , A. Knoll

The accurate incorporation of nuclear quantum effects in large-scale molecular dynamics (MD) simulations remains a significant challenge. Recently, we combined constrained nuclear-electronic orbital (CNEO) theory with classical MD and…

Chemical Physics · Physics 2023-01-11 Zehua Chen , Yang Yang

A new approach to simulating warm and hot dense matter that combines density functional theory based calculations of the electronic structure to classical molecular dynamics simulations with pair interaction potentials is presented. The new…

Plasma Physics · Physics 2015-06-22 C. E. Starrett , J. Daligault , D. Saumon

Predictive modeling of the phonon/thermal transport properties of materials is vital to rational design for a diverse spectrum of engineering applications. Classical Molecular Dynamics (MD) simulations serve as a tool to simulate the time…

The dynamical nucleus-nucleus potentials for some fusion reactions are investigated by using the improved quantum molecular dynamics (ImQMD) model with different sets of parameters in which the corresponding incompressibility coefficient of…

Nuclear Theory · Physics 2013-03-28 V. Zanganeh , N. Wang , O. N. Ghodsi

The model quantum system of fermions in a one dimensional harmonic oscillator potential is investigated by a molecular dynamics method at constant temperature. Although in quantum mechanics the equipartition theorem cannot be used like in…

Statistical Mechanics · Physics 2015-06-25 J. Schnack

The description of collective motion in nuclei at finite temperature using the framework of the random phase approximation is discussed. We focus on the special case of the isovector response function of hot nuclear matter using various…

Nuclear Theory · Physics 2007-05-23 Abdellatif Abada , Dominique Vautherin

One of the outstanding problems in modern nuclear physics is to determine the properties of nuclei from the fundamental theory of the strong force, quantum chromodynamics (QCD). Skyrmions offer a novel approach to this problem by…

High Energy Physics - Theory · Physics 2018-12-12 Carlos Naya , Paul Sutcliffe