Many-body dissipative particle dynamics simulation of wetting phenomena

With the development of the simulation of particle dynamics, the traditional dissipative particle dynamics (DPD) method can not satisfy the needs of research in static or dynamic wetting phenomena. However, the Many-body DPD approach extends the ability of the traditional method to simulate the interface between solid and liquid or some other situation. In this paper, we propose a Many-body DPD program to simulate the solid-liquid interface and get satisfactory results.

Dynamics of Bose-Einstein condensates with atomic pumping and dissipative processes

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Scaling properties of the regular dynamics for a dissipative bouncing ball model

Some scaling properties of the regular dynamics for a dissipative version of the one-dimensional Fermi accelerator model are studied. The dynamics of the model is given in terms of a two-dimensional nonlinear area contracting map. Our results show that the velocities of saddle fixed points (saddle velocities) can be described using scaling arguments for different values of the control parameter. (c) 2007 Elsevier B.V. All rights reserved.

A family of dissipative two-dimensional mappings: Chaotic, regular and steady state dynamics investigation

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Dynamics of a charged particle in a dissipative Fermi-Ulam model

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Vortex dynamics in the high-temperature superconductors YBa 2 Cu 3 O 7 and Bi 2 Sr 2 CaCu 2 O 8 + delta in low- and high-dissipative transport measurements

This thesis investigates phenomena of vortex dynamics in type II superconductors depending on the dimensionality of the flux-line system and the strength of the driving force. In the low dissipative regime of Bi_2Sr_2CaCu_2O_{8+delta} (BSCCO) the influence of oxygen stoichiometry on flux-line tension was examined. An entanglement crossover of the vortex system at low magnetic fields was identified and a comprehensive B-T phase diagram of solid and fluid phases derived.In YBa_2Cu_3O_7 (YBCO) extremely long (>100 mm) high-quality measurement bridges allowed to extend the electric-field window in transport measurements by up to three orders of magnitude. Complementing analyses of the data conclusively produced dynamic exponents of the glass transition z~9 considerably higher than theoretically predicted and previously reported. In high-dissipative measurements a voltage instability appearing in the current-voltage characteristics of type II superconductors was observed for the first time in BSCCO and shown to result from a Larkin-Ovchinnikov flux-flow vortex instability under the influence of quasi-particle heating. However, in an analogous investigation of YBCO the instability was found to appear only in the temperature and magnetic-field regime of the vortex-glass state. Rapid-pulse measurements fully confirmed this correlation of vortex glass and instability in YBCO and revealed a constant rise time (~µs).

Real-time dynamics of open quantum spin systems driven by dissipative processes

We study the real-time evolution of large open quantum spin systems in two spatial dimensions, whose dynamics is entirely driven by a dissipative coupling to the environment. We consider different dissipative processes and investigate the real-time evolution from an ordered phase of the Heisenberg or XY model towards a disordered phase at late times, disregarding unitary Hamiltonian dynamics. The corresponding Kossakowski-Lindblad equation is solved via an efficient cluster algorithm. We find that the symmetry of the dissipative process determines the time scales, which govern the approach towards a new equilibrium phase at late times. Most notably, we find a slow equilibration if the dissipative process conserves any of the magnetization Fourier modes. In these cases, the dynamics can be interpreted as a diffusion process of the conserved quantity.

Dynamics of dissipative Bose-Einstein condensation

We resolve the real-time dynamics of a purely dissipative s=1/2 quantum spin or, equivalently, hard-core boson model on a hypercubic d-dimensional lattice. The considered quantum dissipative process drives the system to a totally symmetric macroscopic superposition in each of the S3 sectors. Different characteristic time scales are identified for the dynamics and we determine their finite-size scaling. We introduce the concept of cumulative entanglement distribution to quantify multiparticle entanglement and show that the considered protocol serves as an efficient method to prepare a macroscopically entangled Bose-Einstein condensate.

Polarization dynamics of dissipative solitons in a erbium doped fiber laser passively mode locked by carbon nanotube polymer composite

Here we present first investigation of polarization dynamics from a carbon nanotube mode locked erbium doped fiber laser. Both vector and polarization switching dissipative soliton have been observed. © 2014 Optical Society of America.

Multipartite entanglement in harmonic oscillators subjected to dissipative quantum dynamics

Una detallada descripción de la dinámica de bajas energías del entrelazamiento multipartito es proporcionada para sistemas armónicos en una gran variedad de escenarios disipativos. Sin hacer ninguna aproximación central, esta descripción yace principalmente sobre un conjunto razonable de hipótesis acerca del entorno e interacción entorno-sistema, ambas consistente con un análisis lineal de la dinámica disipativa. En la primera parte se deriva un criterio de inseparabilidad capaz de detectar el entrelazamiento k-partito de una extensa clase de estados gausianos y no-gausianos en sistemas de variable continua. Este criterio se emplea para monitorizar la dinámica transitiva del entrelazamiento, mostrando que los estados no-gausianos pueden ser tan robustos frente a los efectos disipativos como los gausianos. Especial atención se dedicada a la dinámica estacionaria del entrelazamiento entre tres osciladores interaccionando con el mismo entorno o diferentes entornos a distintas temperaturas. Este estudio contribuye a dilucidar el papel de las correlaciones cuánticas en el comportamiento de la corrientes energéticas.

Dynamics of Stick-Slip: Some Universal and Not So Universal Features

Stick-slip is usually observed in driven dissipative threshold systems. In these set of lectures, we discuss, some generic and system specific features of stickslip systems by considering a few examples wherein there has been some progress in understanding the associated dynamics. In most stick slip systems, both at low and high drive rates, the system slides smoothly, but within a window of drive rates, the motion becomes intermittent; the system alternately “sticks” till the stress builds up to a threshold value, and then “slips” when the stress is rapidly released. This intermittent motion can be traced to the existence of an unstable branch separating the two resistive branches in the force-drive-rate relation. While the two resistive branches are experimentally measurable, the unstable branch is usually not measurable and is only inferred.

Solvation dynamics in a Brownian dipolar lattice. Comparison between computer simulation and various molecular theories of solvation dynamics

Several recent theoretical and computer simulation studies have considered solvation dynamics in a Brownian dipolar lattice which provides a simple model solvent for which detailed calculations can be carried out. In this article a fully microscopic calculation of the solvation dynamics of an ion in a Brownian dipolar lattice is presented. The calculation is based on the non‐Markovian molecular hydrodynamic theory developed recently. The main assumption of the present calculation is that the two‐particle orientational correlation functions of the solid can be replaced by those of the liquid state. It is shown that such a calculation provides an excellent agreement with the computer simulation results. More importantly, the present calculations clearly demonstrate that the frequency‐dependent dielectric friction plays an important role in the long time decay of the solvation time correlation function. We also find that the present calculation provides somewhat better agreement than either the dynamic mean spherical approximation (DMSA) or the Fried–Mukamel theory which use the simulated frequency‐dependent dielectric function. It is found that the dissipative kernels used in the molecular hydrodynamic approach and in the Fried–Mukamel theory are vastly different, especially at short times. However, in spite of this disagreement, the two theories still lead to comparable results in good agreement with computer simulation, which suggests that even a semiquantitatively accurate dissipative kernel may be sufficient to obtain a reliable solvation time correlation function. A new wave vector and frequency‐dependent dissipative kernel (or memory function) is proposed which correctly goes over to the appropriate expressions in both the single particle and the collective limits. This form is expected to lead to better results than all the existing descriptions.

Ultrafast underdamped solvation: Agreement between computer simulation and various theories of solvation dynamics

A theoretical analysis of the three currently popular microscopic theories of solvation dynamics, namely, the dynamic mean spherical approximation (DMSA), the molecular hydrodynamic theory (MHT), and the memory function theory (MFT) is carried out. It is shown that in the underdamped limit of momentum relaxation, all three theories lead to nearly identical results when the translational motions of both the solute ion and the solvent molecules are neglected. In this limit, the theoretical prediction is in almost perfect agreement with the computer simulation results of solvation dynamics in the model Stockmayer liquid. However, the situation changes significantly in the presence of the translational motion of the solvent molecules. In this case, DMSA breaks down but the other two theories correctly predict the acceleration of solvation in agreement with the simulation results. We find that the translational motion of a light solute ion can play an important role in its own solvation. None of the existing theories describe this aspect. A generalization of the extended hydrodynamic theory is presented which, for the first time, includes the contribution of solute motion towards its own solvation dynamics. The extended theory gives excellent agreement with the simulations where solute motion is allowed. It is further shown that in the absence of translation, the memory function theory of Fried and Mukamel can be recovered from the hydrodynamic equations if the wave vector dependent dissipative kernel in the hydrodynamic description is replaced by its long wavelength value. We suggest a convenient memory kernel which is superior to the limiting forms used in earlier descriptions. We also present an alternate, quite general, statistical mechanical expression for the time dependent solvation energy of an ion. This expression has remarkable similarity with that for the translational dielectric friction on a moving ion.

Stabilized SPH-based simulations of impact dynamics using acceleration-corrected artificial viscosity

Artificial viscosity in SPH-based computations of impact dynamics is a numerical artifice that helps stabilize spurious oscillations near the shock fronts and requires certain user-defined parameters. Improper choice of these parameters may lead to spurious entropy generation within the discretized system and make it over-dissipative. This is of particular concern in impact mechanics problems wherein the transient structural response may depend sensitively on the transfer of momentum and kinetic energy due to impact. In order to address this difficulty, an acceleration correction algorithm was proposed in Shaw and Reid (''Heuristic acceleration correction algorithm for use in SPH computations in impact mechanics'', Comput. Methods Appl. Mech. Engrg., 198, 3962-3974) and further rationalized in Shaw et al. (An Optimally Corrected Form of Acceleration Correction Algorithm within SPH-based Simulations of Solid Mechanics, submitted to Comput. Methods Appl. Mech. Engrg). It was shown that the acceleration correction algorithm removes spurious high frequency oscillations in the computed response whilst retaining the stabilizing characteristics of the artificial viscosity in the presence of shocks and layers with sharp gradients. In this paper, we aim at gathering further insights into the acceleration correction algorithm by further exploring its application to problems related to impact dynamics. The numerical evidence in this work thus establishes that, together with the acceleration correction algorithm, SPH can be used as an accurate and efficient tool in dynamic, inelastic structural mechanics. (C) 2011 Elsevier Ltd. All rights reserved.

Rate and Microstructure Effects on the Dynamics of Carbon Nanotube Foams

Soft hierarchical materials often present unique functional properties that are sensitive to the geometry and organization of their micro- and nano-structural features across different lengthscales. Carbon Nanotube (CNT) foams are hierarchical materials with fibrous morphology that are known for their remarkable physical, chemical and electrical properties. Their complex microstructure has led them to exhibit intriguing mechanical responses at different length-scales and in different loading regimes. Even though these materials have been studied for mechanical behavior over the past few years, their response at high-rate finite deformations and the influence of their microstructure on bulk mechanical behavior and energy dissipative characteristics remain elusive.

In this dissertation, we study the response of aligned CNT foams at the high strain-rate regime of 10² - 10⁴ s^-1. We investigate their bulk dynamic response and the fundamental deformation mechanisms at different lengthscales, and correlate them to the microstructural characteristics of the foams. We develop an experimental platform, with which to study the mechanics of CNT foams in high-rate deformations, that includes direct measurements of the strain and transmitted forces, and allows for a full field visualization of the sample’s deformation through high-speed microscopy.

We synthesize various CNT foams (e.g., vertically aligned CNT (VACNT) foams, helical CNT foams, micro-architectured VACNT foams and VACNT foams with microscale heterogeneities) and show that the bulk functional properties of these materials are highly tunable either by tailoring their microstructure during synthesis or by designing micro-architectures that exploit the principles of structural mechanics. We also develop numerical models to describe the bulk dynamic response using multiscale mass-spring models and identify the mechanical properties at length scales that are smaller than the sample height.

The ability to control the geometry of microstructural features, and their local interactions, allows the creation of novel hierarchical materials with desired functional properties. The fundamental understanding provided by this work on the key structure-function relations that govern the bulk response of CNT foams can be extended to other fibrous, soft and hierarchical materials. The findings can be used to design materials with tailored properties for different engineering applications, like vibration damping, impact mitigation and packaging.