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Open-shell non-rigid molecular systems exhibiting an internal rotation are likely candidates for a coupling between the spin angular momentum of the unpaired electron and the torsional motion. This electron spin-torsion coupling lacked both…

The development of turbulent gas flows in the intra-cluster medium and in the core of a galaxy cluster is studied by means of adaptive mesh refinement (AMR) cosmological simulations. A series of six runs was performed, employing identical…

Astrophysics · Physics 2009-11-13 L. Iapichino , J. C. Niemeyer

We study a deformation of the nonlinear Schr\"odinger equation recently derived in the context of deformation of hierarchies of integrable systems. This systematic method also led to known integrable equations such as the Camassa-Holm…

Exactly Solvable and Integrable Systems · Physics 2015-08-24 Alexis Arnaudon

We solve the three-dimensional time-dependent Schr\"{o}dinger equation for a few-cycle circularly polarized femtosecond laser pulse interacting with an oriented target exemplified by an Argon atom, initially in a $3\text{p}_{x}$ or…

Atomic Physics · Physics 2015-05-18 C. P. J. Martiny , M. Abu-samha , L. B. Madsen

The construction of accurate interatomic potentials, and related fields of forces, from equilibrium conformational distributions of molecules is a crucial step in coarse-grained modeling. In this work we show that in order to develop…

Soft Condensed Matter · Physics 2025-04-18 J. M. Hall , M. G. Guenza

We consider the dynamics of internal envelope solitons in a two-layer rotating fluid with a linearly varying bottom. It is shown that the most probable frequency of a carrier wave which constitutes the solitary wave is the frequency where…

Fluid Dynamics · Physics 2019-03-25 Yury Stepanyants

Melting of two dimensional (2D) clusters of classical particles is studied using Brownian dynamics and Langevin molecular dynamics simulations. The particles are confined by a circular hard wall or a parabolic external potential and…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 I. V. Schweigert , V. A. Schweigert , F. M. Peeters

In this paper a new theory is developed for the self - assembly of associating molecules confined to a single spatial dimension, but allowed to explore all orientation angles. The interplay of the anisotropy of the pair potential and the…

Soft Condensed Matter · Physics 2016-04-27 Bennett D. Marshall

We investigate both theoretically and experimentally the rotational dynamics of micrometric droplets of dye-doped and pure liquid crystal induced by circularly and elliptically polarized laser light. The droplets are dispersed in water and…

Optics · Physics 2007-12-06 C. Manzo , D. Paparo , L. Marrucci , I. Janossy

We present an analysis of the internal velocity structures of the newly identified sub-0.1 pc coherent structures, droplets, in L1688 and B18. By fitting 2D linear velocity fields to the observed maps of velocity centroids, we determine the…

The liquid structure of a glass-forming binary alloy is studied using molecular dynamics simulations. The analysis combines common neighbour analysis with the geometrical approach of Frank and Kasper to establish that the supercooled liquid…

Soft Condensed Matter · Physics 2010-03-11 Ulf R. Pedersen , Thomas B. Schrøder , Jeppe C. Dyre , Peter Harrowell

The cluster algorithm in the fully frustrated Ising model on the square lattice is essentially different from the ones used in other systems. Thus its better understanding is particularly important for finding new lines of development.…

Condensed Matter · Physics 2009-10-22 Werner Kerler , Peter Rehberg

We provide a systematic test of empirical theories of covalent bonding in solids using an exact procedure to invert ab initio cohesive energy curves. By considering multiple structures of the same material, it is possible for the first time…

mtrl-th · Physics 2009-10-30 Martin Z. Bazant , Efthimios Kaxiras

The paper uses the spring potential to present interaction between the coarse-grained interfacial particles of the $\alpha$-Al2O3/$\alpha$-Al2O3 and $\alpha$-Fe2O3/$\alpha$-Fe2O3 contacts in the sliding friction study of these micron-scale…

Soft Condensed Matter · Physics 2023-08-08 Le Van Sang , Akihiko Yano , Ai Isohashi , Natsuko Sugimura , Hitoshi Washizu

Localized orbital coupled cluster theory has recently emerged as an nonempirical alternative to DFT for large systems. Intuitively, one might expect such methods to perform less well for highly delocalized systems. In the present work, we…

Chemical Physics · Physics 2020-10-16 Nitai Sylvetsky , Ambar Banerjee , Mercedes Alonso , Jan M. L. Martin

We investigate analytically the magnetic instability in a rotating and electrically conducting fluid induced by an imposed magnetic field with its associated electric current. The short-wavelength approximation is used in the linear…

Earth and Planetary Astrophysics · Physics 2013-08-22 Xing Wei

Magnetospheres of many astrophysical objects can be accurately described by the low-inertia (or "force-free") limit of MHD. We present a new numerical method for solution of equations of force-free relativistic MHD based on the…

Astrophysics · Physics 2011-02-11 Anatoly Spitkovsky

The conventional theory of homogeneous and heterogeneous nucleation in a supersaturated vapor is tested by Monte Carlo simulations of the lattice gas (Ising) model with nearest-neighbor attractive interactions on the simple cubic lattice.…

Soft Condensed Matter · Physics 2013-05-07 Fabian Schmitz , Peter Virnau , Kurt Binder

We perform cosmological, hydrodynamic simulations of magnetic fields in galaxy clusters. The computational code combines the special-purpose hardware Grape for calculating gravitational interaction, and smooth-particle hydrodynamics for the…

Astrophysics · Physics 2007-05-23 Klaus Dolag , Matthias Bartelmann , Harald Lesch

A framework for reconstructing the one-electron spinors, $\Gamma_7$ and $\Gamma_8$, of \ch{Cr^3+} ions embedded in glasses from optical measurements has been developed. These spinors provide the basis for calculating the spin-orbital von…

Chemical Physics · Physics 2026-04-14 J. S. Robles-Páez , A. T. Carreño-Santos , V. García-Rojas , J. F. Pérez-Torres
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