Search results for "molecular dynamics"
showing 10 items of 1075 documents
Effects of neutron richness on the behavior of nuclear systems at intermediate energies
2012
We discuss results concerning the behavior of hot nuclear sources formed in 40 ,48Ca+40 ,48Ca reactions at 25 MeV/nucleon. A correlation between the neutron-to-proton ratio of the total systems and heavy residue production is found. This correlation underlines the strong role played by the neutron-to-proton ratio degree of freedom on the behavior of hot nuclei at intermediate energies. Comparisons of our data with Constrained Molecular Dynamics calculations confirm that a moderately stiff behavior of the symmetry potential must be used to reproduce experimental data. These findings open the way for future investigations with exotic beams at radioactive ion beam facilities. © 2012 American P…
Matching stages of heavy-ion collision models
2010
Heavy-ion reactions and other collective dynamical processes are frequently described by different theoretical approaches for the different stages of the process, like initial equilibration stage, intermediate locally equilibrated fluid dynamical stage, and final freeze-out stage. For the last stage, the best known is the Cooper-Frye description used to generate the phase space distribution of emitted, noninteracting particles from a fluid dynamical expansion or explosion, assuming a final ideal gas distribution, or (less frequently) an out-of-equilibrium distribution. In this work we do not want to replace the Cooper-Frye description, but rather clarify the ways of using it and how to choo…
Carbon fragmentation measurements and validation of the GEANT4 nuclear reaction models for hadrontherapy
2012
Nuclear fragmentation measurements are necessary when using heavy-ion beams in hadrontherapy to predict the effects of the ion nuclear interactions within the human body. Moreover, they are also fundamental to validate and improve the Monte Carlo codes for their use in planning tumor treatments. Nowadays, a very limited set of carbon fragmentation cross sections are being measured, and in particular, to our knowledge, no double-differential fragmentation cross sections at intermediate energies are available in the literature. In this work, we have measured the double-differential cross sections and the angular distributions of the secondary fragments produced in the (12)C fragmentation at 6…
Fractional-order theory of heat transport in rigid bodies
2014
Abstract The non-local model of heat transfer, used to describe the deviations of the temperature field from the well-known prediction of Fourier/Cattaneo models experienced in complex media, is framed in the context of fractional-order calculus. It has been assumed (Borino et al., 2011 [53] , Mongiovi and Zingales, 2013 [54] ) that thermal energy transport is due to two phenomena: ( i ) A short-range heat flux ruled by a local transport equation; ( ii ) A long-range thermal energy transfer proportional to a distance-decaying function, to the relative temperature and to the product of the interacting masses. The distance-decaying function is assumed in the functional class of the power-law …
Hydrodynamic description of the adiabatic piston.
2006
A closed macroscopic equation for the motion of the two-dimensional adiabatic piston is derived from standard hydrodynamics. It predicts a damped oscillatory motion of the piston towards a final rest position, which depends on the initial state. In the limit of large piston mass, the solution of this equation is in quantitative agreement with the results obtained from both hard disk molecular dynamics and hydrodynamics. The explicit forms of the basic characteristics of the piston's dynamics, such as the period of oscillations and the relaxation time, are derived. The limitations of the theory's validity, in terms of the main system parameters, are established.
Dynamical coexistence in moderately polydisperse hard-sphere glasses
2020
We perform extensive numerical simulations of a paradigmatic model glass former, the hard-sphere fluid with 10% polydispersity. We sample from the ensemble of trajectories with fixed observation time, whereby single trajectories are generated by event-driven molecular dynamics. We show that these trajectories can be characterized in terms of the local structure, and we find a dynamical-structural (active-inactive) phase transition between two dynamical phases: one dominated by liquidlike trajectories with a low degree of local order and one dominated by glassylike trajectories with a high degree of local order. We show that both phases coexist and are separated by a spatiotemporal interface…
Transfer coefficients for evaporation of a system with a Lennard-Jones long-range spline potential
2007
International audience; Surface transfer coefficients are determined by nonequilibrium molecular dynamics simulations for a Lennard-Jones fluid with a long-range spline potential. In earlier work A. Røsjorde et al., J. Colloid Interface Sci. 240, 355 2001; J. Xu et al., ibid. 299, 452 2006, using a short-range Lennard-Jones spline potential, it was found that the resistivity coefficients to heat and mass transfer agreed rather well with the values predicted by kinetic theory. For the long-range Lennard-Jones spline potential considered in this paper we find significant discrepancies from the values predicted by kinetic theory. In particular the coupling coefficient, and as a consequence the…
Dynamics of Polymer Chains Confined in Slit-Like Pores
1996
Monte Carlo simulations of an off-lattice bead spring model of polymer chains are presented, confining the chains between two repulsive parallel planes a distance D apart. Varying the chain length N from N = 16 to N = 128, we show that under good solvent conditions the chains behave like two-dimensional self-avoiding walks, their mean square gyration radius scales as (R g 2 ) N 2v with v = 3/4. The density profile across the slit is independent of N and maximal in the center of the slit. The dynamical properties of the chains are found to be in full agreement with the Rouse model with excluded volume in d = 2 dimensions, the relaxation times vary like τ N Z with z = 2v +1 = 5/2, the diffusi…
EnCurv: Simple Technique of Maintaining Global Membrane Curvature in Molecular Dynamics Simulations.
2021
The EnCurv method for maintaining membrane curvature in molecular dynamics simulations is introduced. The method allows maintaining any desired curvature in a sector of lipid membrane bent in a single plane without adding any unphysical interactions into the system and without restrictions on lateral and transversal lipid diffusion and distribution. The current implementation is limited to the membranes curved in a single plane but generalization to arbitrary curvature and membrane topology is possible. The method is simple, easy to implement, and scales linearly with the system size. EnCurv is agnostic to the force field, simulation parameters, and membrane composition. The proof of princi…
Crossover from Rouse to Reptation Dynamics: A Molecular-Dynamics Simulation
1988
We present the results of an extensive molecular-dynamics simulation of a dense polymer system. We show for the first time that simulations are able to cover the whole regime from pure Rouse dynamics to reptation dynamics and give strong evidence of the latter. The mean square displacements clearly exhibit a ${t}^{\frac{1}{4}}$ power law. A mode analysis shows that the high-frequency modes follow the Rouse relaxation while those at lower frequency display reptation relaxation. Both quantities give the same entanglement length.