Trotter Derivation of Algorithms for Brownian and Dissipative Particle Dynamics

This paper focuses on the temporal discretization of the Langevin dynamics, and on different resulting numerical integration schemes. Using a method based on the exponentiation of time dependent operators, we carefully derive a numerical scheme for the Langevin dynamics, that we found equivalent to the proposal of Ermak, and not simply to the stochastic version of the velocity-Verlet algorithm. However, we checked on numerical simulations that both algorithms give similar results, and share the same ``weak order two'' accuracy. We then apply the same strategy to derive and test two numerical schemes for the dissipative particle dynamics (DPD). The first one of them was found to compare well, in terms of speed and accuracy, with the best currently available algorithms.Comment: to be published in J.Chem.Phy

Injected Power Fluctuations in 1D Dissipative Systems

Using fermionic techniques, we compute exactly the large deviation function (ldf) of the time-integrated injected power in several one-dimensional dissipative systems of classical spins. The dynamics are T=0 Glauber dynamics supplemented by an injection mechanism, which is taken as a Poissonian flipping of one particular spin. We discuss the physical content of the results, specifically the influence of the rate of the Poisson process on the properties of the ldf.Comment: 18 pages, 8 figure

Entropic Elasticity of Phantom Percolation Networks

A new method is used to measure the stress and elastic constants of purely entropic phantom networks, in which a fraction $p$ of neighbors are tethered by inextensible bonds. We find that close to the percolation threshold $p_c$ the shear modulus behaves as $(p-p_c)^f$, where the exponent $f\approx 1.35$ in two dimensions, and $f\approx 1.95$ in three dimensions, close to the corresponding values of the conductivity exponent in random resistor networks. The components of the stiffness tensor (elastic constants) of the spanning cluster follow a power law $\sim(p-p_c)^g$, with an exponent $g\approx 2.0$ and 2.6 in two and three dimensions, respectively.Comment: submitted to the Europhys. Lett., 7 pages, 5 figure

Magnetic Fluctuations and Correlations in MnSi - Evidence for a Skyrmion Spin Liquid Phase

We present a comprehensive analysis of high resolution neutron scattering data involving Neutron Spin Echo spectroscopy and Spherical Polarimetry which confirm the first order nature of the helical transition and reveal the existence of a new spin liquid skyrmion phase. Similar to the blue phases of liquid crystals this phase appears in a very narrow temperature range between the low temperature helical and the high temperature paramagnetic phases.Comment: 11 pages, 16 figure

The Effect of Thermal Fluctuations on Schulman Area Elasticity

We study the elastic properties of a two-dimensional fluctuating surface whose area density is allowed to deviate from its optimal (Schulman) value. The behavior of such a surface is determined by an interplay between the area-dependent elastic energy, the curvature elasticity, and the entropy. We identify three different elastic regimes depending on the ratio $A_p/A_s$ between the projected (frame) and the saturated areas. We show that thermal fluctuations modify the elastic energy of stretched surfaces ($A_p/A_s> 1$), and dominate the elastic energy of compressed surfaces ($A_p/A_s< 1$). When $A_p\sim A_s$ the elastic energy is not much affected by the fluctuations; the frame area at which the surface tension vanishes becomes smaller than $A_s$ and the area elasticity modulus increases.Comment: 12 pages, to appear in Euro. Phys. J.

Quantum beats in the electric-field quenching of metastable hydrogen

The strong field-induced quantum beats observed in beam-foil studies of Ly- alpha radiation are obtained in a conventional metastable-hydrogen quenching experiment. The phase relation between the Stark shifted 2s 1/2- 2p 1/2 Lamb-shift oscillations and the much more rapid 2s 1-2p 3/2 fine-structure oscillations depends on the detailed way in which the quenching field is switched on. Apart from a phaseshift, the results agree with a non-perturbative theoretical calculation which assumes that the field is applied suddenly. Various frequency components of the time-dependent radiation intensity are identified with specific hyperfine transitions or groups of transitions. No adjustable parameters are used for the initial state amplitudes

A Chiral Paramagnetic Skyrmion-like Phase in MnSi

We present a comprehensive study of chiral fluctuations in the reference helimagnet MnSi by polarized neutron scattering and Neutron Spin Echo spectroscopy, which reveals the existence of a completely left-handed and dynamically disordered phase. This phase may be identified as a spontaneous skyrmion phase: it appears in a limited temperature range just above the helical transition Tc and coexists with the helical phase at Tc.Comment: PRL accepte

Microscopic formulation of the Zimm-Bragg model for the helix-coil transition

A microscopic spin model is proposed for the phenomenological Zimm-Bragg model for the helix-coil transition in biopolymers. This model is shown to provide the same thermophysical properties of the original Zimm-Bragg model and it allows a very convenient framework to compute statistical quantities. Physical origins of this spin model are made transparent by an exact mapping into a one-dimensional Ising model with an external field. However, the dependence on temperature of the reduced external field turns out to differ from the standard one-dimensional Ising model and hence it gives rise to different thermophysical properties, despite the exact mapping connecting them. We discuss how this point has been frequently overlooked in the recent literature.Comment: 11 pages, 2 figure

Physicochemical characterization of a hydrophilic model drug-loaded PHBV microparticles obtained by the double emulsion/solvent evaporation technique

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Current large deviations in a driven dissipative model

We consider lattice gas diffusive dynamics with creation-annihilation in the bulk and maintained out of equilibrium by two reservoirs at the boundaries. This stochastic particle system can be viewed as a toy model for granular gases where the energy is injected at the boundary and dissipated in the bulk. The large deviation functional for the particle currents flowing through the system is computed and some physical consequences are discussed: the mechanism for local current fluctuations, dynamical phase transitions, the fluctuation-relation