Search

We report on the experimental realization and characterization of a qubit analog with semiconductor exciton-polaritons. In our system, a condensate of exciton-polaritons is confined by a spatially-patterned pump laser in an annular trap that supports energy-degenerate circulating currents of the polariton superfluid. Using temporal interference measurements, we observe coherent oscillations between a pair of counter-circulating superfluid vortex states of the polaritons coupled by elastic scattering off the laser-imprinted potential. The qubit basis states correspond to the symmetric and antisymmetric superpositions of the two vortex states forming orthogonal double-lobe spatial wavefunctions. By engineering the potential, we tune the coupling and coherent oscillations between the two circulating current states, control the energies of the qubit basis states, and initialize the qubit in the desired state. The dynamics of the system is accurately reproduced by our theoretical two-state model, and we discuss potential avenues to achieve complete control over our polaritonic qubits and realize controllable interactions between such qubits to implement quantum gates and algorithms analogous to quantum computation with standard qubits.

On February 6, 2016 at 21:07:19 UT, a very bright fireball was seen over the eastern part of Denmark. The weather was cloudy over eastern Denmark, but many people saw the sky light up-even in the heavily illuminated Copenhagen. Two hundred and thirty three reports of the associated sound and light phenomena were received by the Danish fireball network. We have formed a consortium to describe the meteorite and the circumstances of the fall and the results are presented in this paper. The first fragment of the meteorite was found the day after the fall, and in the following weeks, a total of 11 fragments with a total weight of 8982 g were found. The meteorite is an unbrecciated, weakly shocked (S2), ordinary H chondrite of petrologic type 5/6 (Bouvier et al. 2017). The concentration of the cosmogenic radionuclides suggests that the preatmospheric radius was rather small ~20 cm. The cosmic ray exposure age of Ejby (83 +/- 11 Ma) is the highest of an H chondrite and the second highest age for an ordinary chondrite. Using the preatmospheric orbit of the Ejby meteoroid (Spurny et al. 2017) locations of the recovered fragments, and wind data from the date of the fall, we have modeled the dark flight (below 18 km) of the fragments. The recovery location of the largest fragment can only be explained if aerodynamic effects during the dark flight phase are included. The recovery location of all other fragments are consistent with the dark flight modeling.

Amorphous solids lack long-range order. Therefore identifying structural defects -- akin to dislocations in crystalline solids -- that carry plastic flow in these systems remains a daunting challenge. By comparing many different structural indicators in computational models of glasses, under a variety of conditions we carefully assess which of these indicators are able to robustly identify the structural defects responsible for plastic flow in amorphous solids. We further demonstrate that the density of defects changes as a function of material preparation and strain in a manner that is highly correlated with the macroscopic material response. Our work represents an important step towards predicting how and when an amorphous solid will fail from its microscopic structure.

We investigate the effects of cell division and apopotosis on collective dynamics in two-dimensional epithelial tissues. Our model includes three key ingredients observed across many epithelia, namely cell-cell adhesion, cell death and a cell division process that depends on the surrounding environment. We show a rich non-equilibrium phase diagram depending on the ratio of cell death to cell division and on the adhesion strength. For large apopotosis rates, cells die out and the tissue disintegrates. As the death rate decreases, however, we show, consecutively, the existence of a gas-like phase, a gel-like phase, and a dense confluent (tissue) phase. Most striking is the observation that the tissue is self-melting through its own internal activity, ruling out the existence of any glassy phase., Comment: 9 pages, 10 figures

Crystal nucleation and growth processes induced by an externally applied shear strain in a model metallic glass are studied by means of nonequilibrium molecular dynamics simulations, in a range of temperatures. We observe that the nucleation-growth process takes place after a transient, induction regime. The critical cluster size and the lag-time associated with this induction period are determined from a mean first-passage time analysis. The laws that describe the cluster growth process are studied as a function of temperature and strain rate. A theoretical model for crystallization kinetics that includes the time dependence for nucleation and cluster growth is developed within the framework of the Kolmogorov-Johnson-Mehl-Avrami scenario and is compared with the molecular dynamics data. Scalings for the cluster growth laws and for the crystallization kinetics are also proposed and tested. The observed nucleation rates are found to display a nonmonotonic strain rate dependency.

The last decade has seen major progresses in studies of elementary mechanisms of deformation in amorphous materials. Here, we start with a review of physically-based theories of plasticity, going back to the identification of "shear-transformations" as early as the 70's. We show how constructive criticism of the theoretical models permits to formulate questions concerning the role of structural disorder, mechanical noise, and long-ranged elastic interactions. These questions provide the necessary context to understand what has motivated recent numerical studies. We then summarize their results, show why they had to focus on athermal systems, and point out the outstanding questions., Comment: Chapter of "Dynamical Heterogeneities in glasses, colloids and granular materials", Eds.: L. Berthier, G. Biroli, J-P Bouchaud, L. Cipelletti and W. van Saarloos (Oxford University Press, to appear), more info at http://w3.lcvn.univ-montp2.fr/~lucacip/DH_book.htm

In this contribution, we study situations in which nanoparticles in a fluid are strongly heated, generating high heat fluxes. This situation is relevant to experiments in which a fluid is locally heated using selective absorption of radiation by solid particles. We first study this situation for different types of molecular interactions, using models for gold particles suspended in octane and in water. As already reported in experiments, very high heat fluxes and temperature elevations (leading eventually to particle destruction) can be observed in such situations. We show that a very simple modeling based on Lennard-Jones interactions captures the essential features of such experiments, and that the results for various liquids can be mapped onto the Lennard-Jones case, provided a physically justified (corresponding state) choice of parameters is made. Physically, the possibility of sustaining very high heat fluxes is related to the strong curvature of the interface that inhibits the formation of an insulating vapor film.

The influence of a stationary shear flow on the crystallization in a glassy system is studied by means of molecular dynamics simulations and subsequent cluster analysis. The results reveal two opposite effects of the shear flow on the processes of topological ordering in the system. Shear promotes the formation of separated crystallites and suppresses the appearance of the large clusters. The shear-induced ordering proceeds in two stages, where the first stage is related mainly with the growth of crystallites, whereas the second stage is due to an adjustment of the created clusters and a progressive alignment of their lattice directions. The influence of strain and shear rate on the crystallization is also investigated. In particular, we find two plausible phenomenological relations between the shear rate and the characteristic time scale needed for ordering of the amorphous system under shear.

We present a numerical study of the mechanical response of a 2D Lennard-Jones amorphous solid under steady quasistatic and athermal shear. We focus here on the evolution of local stress components. While the local stress is usually taken as an order parameter in the description of the rheological behaviour of complex fluids, and for plasticity in glasses, we show here that the knowledge of local stresses is not sufficient for a complete description of the plastic behaviour of our system. The distribution of local stresses can be approximately described as resulting from the sum of localized quadrupolar events with an exponential distribution of amplitudes. However, we show that the position of the center of the quadrupoles is not related to any special evolution of the local stress, but must be described by another variable.

Molecular dynamics simulations are used to model the thermal properties of a fluid containing solid nanoparticles (nanofluid). The flexibility of molecular simulation allows us to consider the effects of particle mass, particle-particle and particle-fluid interaction and that of the spatial distribution of the particles on the thermal conductivity. We show that the heat conductivity of a well dispersed nanofluid is well described by the classical Maxwell Garnett equation model. In the case of particle clustering and strong inter particle interactions the conductivity can be again described by effective medium calculation taking into account the aspect ratio of the cluster. Heat transfer is increased when particles are aligned in the direction of the temperature gradient. This kind of collective effects could be a first step to understand the substantial increase in the conductivity observed in some experiments., Comment: Journal of Computational and Theoretical Nanoscience

The development of microfluidic devices has recently revived the interest in "old" problems associated with transport at, or across, interfaces. As the characteristic sizes are decreased, the use of pressure gradients to transport fluids becomes problematic, and new, interface driven, methods must be considered. This has lead to new investigations of flow near interfaces, and to the conception of interfaces engineered at various scales to reduce flow friction. In this review, we discuss the present theoretical understanding of flow past solid interfaces at different length scales. We also briefly discuss the corresponding phenomenon of heat transport, and the influence of surface slip on interface driven (e.g. electro-osmotic) flows., Comment: submitted to "Soft Matter"

We study the local disorder in the deformation of amorphous materials by decomposing the particle displacements into a continuous, inhomogeneous field and the corresponding fluctuations. We compare these fields to the commonly used non-affine displacements in an elastically deformed 2D Lennard-Jones glass. Unlike the non-affine field, the fluctuations are very localized, and exhibit a much smaller (and system size independent) correlation length, on the order of a particle diameter, supporting the applicability of the notion of local "defects" to such materials. We propose a scalar "noise" field to characterize the fluctuations, as an additional field for extended continuum models, e.g., to describe the localized irreversible events observed during plastic deformation., Comment: Minor corrections to match the published version

By applying local primitive path and Rouse modes analysis we study the chains conformations, local dynamics and viscosity of a model polymer melt in a polymer-wall interface. We establish that the presence of a repulsive wall leads to acceleration of the dynamics both for unentangled and weakly entangled melts and to a depletion in the entanglement density in the wall vicinity. When the surface bears some grafted chains, we show that the melt chains are accelerated in the unentangled regime and slowed down in the entangled regime. By analyzing the primitive paths we attribute the observed slowdown to an increase in the entanglement density in the interfacial layer. The presence of a relatively small density of grafting sites thus leads to improved mechanical properties (reinforcement) and decreases locally the entanglement length even if the surface is repulsive.

We analyze in details the atomistic response of a model amorphous material submitted to plastic shear in the athermal, quasistatic limit. After a linear stress-strain behavior, the system undergoes a noisy plastic flow. We show that the plastic flow is spatially heterogeneous. Two kinds of plastic events occur in the system: quadrupolar localized rearrangements, and shear bands. The analysis of the individual motion of a particle shows also two regimes: a hyper-diffusive regime followed by a diffusive regime, even at zero temperature.

Molecular dynamics simulations are used to simulate the thermal properties of a model fluid containing nanoparticles (nanofluid). By modelling transient absorption experiments, we show that they provide a reliable determination of interfacial resistance between the particle and the fluid. The flexibility of molecular simulation allows us to consider separately the effect of confinement, particle mass and Brownian motion on the thermal transfer between fluid and particle. Finally, we show that in the absence of collective effects, the heat conductivity of the nanofluid is well described by the classical Maxwell Garnet equation model.

Lecture Notes for the Erice Summer School 2005 Computer Simulations in Condensed Matter: from Materials to Chemical Biology. Perspectives in celebration of the 65th Birthday of Mike Klein organized by Kurt Binder, Giovanni Ciccotti and Mauro Ferrario

The concept of effective temperatures in nonequilibrium systems is studied within an exactly solvable model of non-Markovian diffusion. The system is coupled to two heat baths which are kept at different temperatures: one ('fast') bath associated with an uncorrelated Gaussian noise and a second ('slow') bath with an exponential memory kernel. Various definitions of effective temperatures proposed in the literature are evaluated and compared. The range of validity of these definitions is discussed. It is shown in particular, that the effective temperature defined from the fluctuation-dissipation relation mirrors the temperature of the slow bath in parameter regions corresponding to a separation of time scales. On the contrary, quasi-static and thermodynamic definitions of an effective temperature are found to display the temperature of the fast bath in most parameter regions.

Using molecular dynamics simulations, we determine the linear and nonlinear viscoelastic properties of a model polymer melt in the unentangled regime. Several approaches are compared for the computation of linear moduli, including Green-Kubo and non equilibrium molecular dynamics (NEMD). An alternative approach, based on the use of the Rouse modes, is also discussed. This approach could be used to assess local viscoelastic properties in inhomogeneous systems. We also focus on the contributions of different interactions to the viscoelastic moduli and explain the microscopic mechanisms involved in the mechanical response of the melt to external sollicitation.

Extending recent numerical studies on two dimensional amorphous bodies, we characterize the approach of elastic continuum limit in three dimensional (weakly polydisperse) Lennard-Jones systems. While performing a systematic finite-size analysis (for two different quench protocols) we investigate the non-affine displacement field under external strain, the linear response to an external delta force and the low-frequency harmonic eigenmodes and their density distribution. Qualitatively similar behavior is found as in two dimensions. We demonstrate that the classical elasticity description breaks down below an intermediate length scale $\xi$, which in our system is approximately 23 molecular sizes. This length characterizes the correlations of the non-affine displacement field, the self-averaging of external noise with distance from the source and gives the lower wave length bound for the applicability of the classical eigenfrequency calculations. We trace back the "Boson-peak" of the density of eigenfrequencies (obtained from the velocity auto-correlation function) to the inhomogeneities on wave lengths smaller than $\xi$., Comment: 27 pages, 11 figures, submitted to Phys. Rev. B

We consider the nucleation process associated with capillary condensation of a vapor in a hydrophobic cylindrical pore (capillary evaporation). The liquid-vapor transition is described within the framework of a simple lattice model. The phase properties are characterized both at the mean-field level and using Monte-Carlo simulations. The nucleation process for the liquid to vapor transition is then specifically considered. Using umbrella sampling techniques, we show that nucleation occurs through the condensation of an asymmetric vapor bubble at the pore surface. Even for highly confined systems, good agreement is found with macroscopic considerations based on classical nucleation theory. The results are discussed in the context of recent experimental work on the extrusion of water in hydrophobic pores.

We propose a new method for carrying out field-theoretic simulations of polymer systems under conditions of prescribed external stress, allowing for shape changes in the simulation box. A compact expression for the deviatoric stress tensor is derived in terms of the chain propagator, and is used to monitor changes in the box shape according to a simple relaxation scheme. The method allows fully relaxed, stress free configurations to be obtained even in non trivial morphologies, and enables the study of morphology transitions induced by external stresses.

The linear response of two-dimensional amorphous elastic bodies to an external delta force is determined in analogy with recent experiments on granular aggregates. For the generated forces, stress and displacement fields, we find strong relative fluctuations of order one close to the source, which, however, average out readily to the classical predictions of isotropic continuum elasticity. The stress fluctuations decay (essentially) exponentially with distance from the source. Only beyond a surprisingly large distance, $b \approx 30$ interatomic distances, self-averaging dominates, and the quenched disorder becomes irrelevant for the response of an individual configuration. We argue that this self-averaging length $b$ sets also the lower wavelength bound for the applicability of classical eigenfrequency calculations.Particular attention is paid to the displacements of the source, allowing a direct measurement of the local rigidity. The algebraic correlations of these displacements demonstrate the existence of domains of slightly different rigidity without, however, revealing a characteristic length scale, at least not for the system sizes we are able to probe., Comment: 27 pages, 10 figures

The stress-strain relations and the yield behavior of model glass (a 80:20 binary Lennard-Jones mixture) is studied by means of MD simulations. First, a thorough analysis of the static yield stress is presented via simulations under imposed stress. Furthermore, using steady shear simulations, the effect of physical aging, shear rate and temperature on the stress-strain relation is investigated. In particular, we find that the stress at the yield point (the ``peak''-value of the stress-strain curve) exhibits a logarithmic dependence both on the imposed shear rate and on the ``age'' of the system in qualitative agreement with experiments on amorphous polymers and on metallic glasses. In addition to the very observation of the yield stress which is an important feature seen in experiments on complex systems like pastes, dense colloidal suspensions and foams, further links between our model and soft glassy materials are found. An example are hysteresis loops in the system response to a varying imposed stress. Finally, we measure the static yield stress for our model and study its dependence on temperature. We find that for temperatures far below the mode coupling critical temperature of the model ($Tc = 0.435$), $\sigmay$ decreases slowly upon heating followed by a stronger decrease as $\Tc$ is approached. We discuss the reliability of results on the static yield stress and give a criterion for its validity in terms of the time scales relevant to the problem., Comment: 14 pages, 18 figures

The correlations in the motion of reptating polymers in their melt are investigated by means of kinetic Monte Carlo simulations of the three dimensional slithering snake version of the bond-fluctuation model. Surprisingly, the slithering snake dynamics becomes inconsistent with classical reptation predictions at high chain overlap (either chain length $N$ or volume fraction $\phi$) where the relaxation times increase much faster than expected. This is due to the anomalous curvilinear diffusion in a finite time window whose upper bound $\tau_+$ is set by the chain end density $\phi/N$. Density fluctuations created by passing chain ends allow a reference polymer to break out of the local cage of immobile obstacles created by neighboring chains. The dynamics of dense solutions of snakes at $t \ll \tau_+$ is identical to that of a benchmark system where all but one chain are frozen. We demonstrate that it is the slow creeping of a chain out of its correlation hole which causes the subdiffusive dynamical regime. Our results are in good qualitative agreement with the activated reptation scheme proposed recently by Semenov and Rubinstein [Eur. Phys. J. B, {\bf 1} (1998) 87]. Additionally, we briefly comment on the relevance of local relaxation pathways within a slithering snake scheme. Our preliminary results suggest that a judicious choice of the ratio of local to slithering snake moves is crucial to equilibrate a melt of long chains efficiently., Comment: 24 pages, 18 figures, submitted to EPJ E

Using molecular dynamics simulations, we show that a simple model of a glassy material exhibits the shear localization phenomenon observed in many complex fluids. At low shear rates, the system separates into a fluidized shear-band and an unsheared part. The two bands are characterized by a very different dynamics probed by a local intermediate scattering function. Furthermore, a stick-slip motion is observed at very small shear rates. Our results, which open the possibility of exploring complex rheological behavior using simulations, are compared to recent experiments on various soft glasses., Comment: 4 pages, 4 figures (5 figure files)

The approach of the elastic continuum limit in small amorphous bodies formed by weakly polydisperse Lennard-Jones beads is investigated in a systematic finite-size study. We show that classical continuum elasticity breaks down when the wavelength of the sollicitation is smaller than a characteristic length of approximately 30 molecular sizes. Due to this surprisingly large effect ensembles containing up to N=40,000 particles have been required in two dimensions to yield a convincing match with the classical continuum predictions for the eigenfrequency spectrum of disk-shaped aggregates and periodic bulk systems. The existence of an effective length scale \xi is confirmed by the analysis of the (non-gaussian) noisy part of the low frequency vibrational eigenmodes. Moreover, we relate it to the {\em non-affine} part of the displacement fields under imposed elongation and shear. Similar correlations (vortices) are indeed observed on distances up to \xi~30 particle sizes., Comment: 28 pages, 13 figures, 3 tables

Structures involving solid particles of nanometric dimensions play an increasingly important role in material sciences. These structures are often characterized through the vibrational properties of their constituent particles, which can be probed by spectroscopic methods. Interpretation of such experimental data requires an extension of continuum elasticity theory down to increasingly small scales. Using numerical simulation and exact diagonalization for simple models, we show that continuum elasticity, applied to disordered system, actually breaks down below a length scale of typically 30 to 50 molecular sizes. This length scale is likely related to the one which is generally invoked to explain the peculiar vibrational properties of glassy systems., Comment: 4 pages, 5 figures, LATEX, Europhysics Letters accepted

We investigate by means of a number of different dynamical Monte Carlo simulation methods the self-assembly of equilibrium polymers in dilute, semidilute and concentrated solutions under good-solvent conditions. In our simulations, both linear chains and closed loops compete for the monomers, expanding on earlier work in which loop formation was disallowed. Our findings show that the conformational properties of the linear chains, as well as the shape of their size distribution function, are not altered by the formation of rings. Rings only seem to deplete material from the solution available to the linear chains. In agreement with scaling theory, the rings obey an algebraic size distribution, whereas the linear chains conform to a Schultz--Zimm type of distribution in dilute solution, and to an exponentional distribution in semidilute and concentrated solution. A diagram presenting different states of aggregation, including monomer-, ring- and chain-dominated regimes, is given.

The interplay of topological constraints, excluded volume interactions, persistence length and dynamical entanglement length in solutions and melts of linear chains and ring polymers is investigated by means of kinetic Monte Carlo simulations of a three dimensional lattice model. In unknotted and unconcatenated rings, topological constraints manifest themselves in the static properties above a typical length scale $dt \sim 1/\sqrt{l\phi}$ ($\phi$ being the volume fraction, $l$ the mean bond length). Although one might expect that the same topological length will play a role in the dynamics of entangled polymers, we show that this is not the case. Instead, a different intrinsic length de, which scales like excluded volume blob size $\xi$, governs the scaling of the dynamical properties of both linear chains and rings., Comment: 7 pages. 4 figures

We present a detailed molecular-dynamics study of the diffusion and coalescence of large (249-atom) gold clusters on graphite surfaces. The diffusivity of monoclusters is found to be comparable to that for single adatoms. Likewise, and even more important, cluster dimers are also found to diffuse at a rate which is comparable to that for adatoms and monoclusters. As a consequence, large islands formed by cluster aggregation are also expected to be mobile. Using kinetic Monte Carlo simulations, and assuming a proper scaling law for the dependence on size of the diffusivity of large clusters, we find that islands consisting of as many as 100 monoclusters should exhibit significant mobility. This result has profound implications for the morphology of cluster-assembled materials.