Related papers: Argon force field revisited: a molecular dynamic s…
We employ the extended Nambu-Jona-Lasinio, linear-$\sigma$ models, and the density-dependent model with chiral limits to work out the mean fields and relevant properties of nuclear matter. To have the constraint from the data, we reexamine…
The aim of this paper is to present an analytical calculation of the chemical potential of a Lennard Jones fluid. The integration range is divided into two regions. In the small distance region,which is $r\leq\sigma$ in the usual…
We present a screening mechanism that allows a scalar field to mediate a long range (~Mpc) force of gravitational strength in the cosmos while satisfying local tests of gravity. The mechanism hinges on local symmetry restoration in the…
Strong correlations between equilibrium fluctuations of the configurational parts of pressure and energy are found in the Lennard-Jones liquid and other simple liquids, but not in hydrogen-bonding liquids like methanol and water. The…
In Molecular Dynamics (MD), the forces applied to atoms derive from potentials which describe the energy of bonds, valence angles, torsion angles, and Lennard-Jones interactions of which molecules are made. These de finitions are classic;…
Reactive force fields for molecular dynamics have enabled a wide range of studies in numerous material classes. These force fields are computationally inexpensive as compared to electronic structure calculations and allow for simulations of…
We discuss in this paper phase-field approximations of the Willmore functional and the associated L2-flow. After recollecting known results on the approximation of the Willmore energy and its L1-relaxation, we derive the expression of the…
We show how to "concatenate" variational principles over different bases into one over a single base, thereby providing a unified Lagrangian treatment of interacting systems. As an example we study a Klein-Gordon field interacting with a…
We develop a Genetic Programming-based methodology that enables discovery of novel functional forms for classical inter-atomic force-fields, used in molecular dynamics simulations. Unlike previous efforts in the field, that fit only the…
A novel description of kinetic theory dynamics is proposed in terms of resummed moments that embed information of both hydrodynamic and non-hydrodynamic modes. The resulting expansion can be used to extend hydrodynamics to higher orders in…
The behavior of energy polydisperse $2d$ Lennard-Jones fluid (in thin-film geometry) is studied subjected to linear flow field using molecular dynamics simulations. By considering neutral and selective substrates we systematically explore…
We evaluate exactly the statistical integral for an inhomogeneous one-dimensional counterion-only Coulomb gas between two charged boundaries and from this compute the effective interaction, or disjoining pressure, between the bounding…
Magnetic field-aligned electric fields are characteristic features of magnetic reconnection processes operating in externally agitated magnetized plasmas. An especially interesting environment for such a process are the coronae of accretion…
Experiments [1] have shown that auto-kirigami structures can grow on the surface of graphene because the graphene-graphene adhesion energy is greater than the graphene-substrate interaction. In this work molecular dynamics (MD) simulations…
Within the Functional Renormalisation Group (FRG) approach, we present a fluid-dynamical approach to solving flow equations for models living in a multi-dimensional field space. To this end, the underlying exact flow equation of the…
We look at the influence of external fields on systems described by generic free energy functional of the order parameter. The external force may have arbitrary spatial dependence, and the order parameter coupling may be nonlinear. The…
Axions and axion-like particles (ALPs) are well-motivated low-energy relics of high-energy extensions of the Standard Model, which interact with the known particles through higher-dimensional operators suppressed by the mass scale $\Lambda$…
The correct description of the ionic interaction and stable equilibrium of the simulations of biomolecular structure, dynamics, folding, catalysis, and function, an accurate model of the monovalent ions is very important. The force field…
We propose a novel method for refining force-field parameters of protein systems. In this method, the agreement of the secondary-structure stability and instability between the protein conformations obtained by experiments and those…
At low temperatures, dynamics in amorphous silicon occurs through a sequence of discrete activated events that locally reorganize the topological network. Using the activation-relaxation technique, a data base containing over 8000 such…