Deformation-induced accelerated dynamics in polymer glasses

Molecular dynamics simulations are used to investigate the effects of deformation on the segmental dynamics in an aging polymer glass. Individual particle trajectories are decomposed into a series of discontinuous hops, from which we obtain the full distribution of relaxation times and displacements under three deformation protocols: step stress (creep), step strain, and constant strain rate deformation. As in experiments, the dynamics can be accelerated by several orders of magnitude during deformation, and the history dependence is entirely erased during yield (mechanical rejuvenation). Aging can be explained as a result of the long tails in the relaxation time distribution of the glass, and similarly, mechanical rejuvenation is understood through the observed narrowing of this distribution during yield. Although the relaxation time distributions under deformation are highly protocol specific, in each case they may be described by a universal acceleration factor that depends only on the strain.Comment: 15 pages, 15 figure

Statistics of the Energy Dissipation Rate and Local Enstrophy in Turbulent Channel Flow

Using high-resolution direct numerical simulations, the height and Reynolds number dependence of higher-order statistics of the energy dissipation rate and local enstrophy are examined in incompressible, fully-developed turbulent channel flow. The statistics are studied over a range of wall distances, spanning the viscous sublayer to the channel flow centerline, for friction Reynolds numbers $Re_\tau = 180$ and $Re_\tau = 381$. The high resolution of the simulations allows dissipation and enstrophy moments up to fourth order to be calculated. These moments show a dependence on wall distance, and Reynolds number effects are observed at the edge of the logarithmic layer. Conditional analyses based on locations of intense rotation are also carried out in order to determine the contribution of vortical structures to the dissipation and enstrophy moments. Our analysis shows that, for the simulation at the larger Reynolds number, small-scale fluctuations of both dissipation and enstrophy become relatively constant for $z^+ \gtrsim 100$.Comment: Accepted by Physica

Optical transparency of graphene as determined by the fine-structure constant

The observed 97.7% optical transparency of graphene has been linked to the value 1/137 of the fine structure constant, by using results for noninteracting Dirac fermions. The agreement in three significant figures requires an explanation for the apparent unimportance of the Coulomb interaction. Using arguments based on Ward identities, the leading corrections to the optical conductivity due to the Coulomb interactions are correctly computed (resolving a subtle theoretical issue) and shown to amount to only 1-2%, corresponding to 0.03-0.04% in the transparency.Comment: 5 pages, 2 figures, Minor changes, published version with a new titl

Fingerprints for spin-selection rules in the interaction dynamics of O2 at Al(111)

We performed mixed quantum-classical molecular dynamics simulations based on first-principles potential-energy surfaces to demonstrate that the scattering of a beam of singlet O2 molecules at Al(111) will enable an unambiguous assessment of the role of spin-selection rules for the adsorption dynamics. At thermal energies we predict a sticking probability that is substantially less than unity, with the repelled molecules exhibiting characteristic kinetic, vibrational and rotational signatures arising from the non-adiabatic spin transition.Comment: 4 pages including 3 figures; related publications can be found at http://www.fhi-berlin.mpg.de/th/th.htm

Critical behavior of the three-dimensional bond-diluted Ising spin glass: Finite-size scaling functions and Universality

We study the three-dimensional (3D) bond-diluted Edwards-Anderson (EA) model with binary interactions at a bond occupation of 45% by Monte Carlo (MC) simulations. Using an efficient cluster MC algorithm we are able to determine the universal finite-size scaling (FSS) functions and the critical exponents with high statistical accuracy. We observe small corrections to scaling for the measured observables. The critical quantities and the FSS functions indicate clearly that the bond-diluted model for dilutions above the critical dilution p*, at which a spin glass (SG) phase appears, lies in the same universality class as the 3D undiluted EA model with binary interactions. A comparison with the FSS functions of the 3D site-diluted EA model with Gaussian interactions at a site occupation of 62.5% gives very strong evidence for the universality of the SG transition in the 3D EA model.Comment: Revised version. 10 pages, 9 figures, 2 table

Degenerate Bose gases with uniform loss

We theoretically investigate a weakly-interacting degenerate Bose gas coupled to an empty Markovian bath. We show that in the universal phononic limit the system evolves towards an asymptotic state where an emergent temperature is set by the quantum noise of the outcoupling process. For situations typically encountered in experiments, this mechanism leads to significant cooling. Such dissipative cooling supplements conventional evaporative cooling and dominates in settings where thermalization is highly suppressed, such as in a one-dimensional quasicondensate.Comment: 9 pages, 5 figures, open access publicatio

Simulations of aging and plastic deformation in polymer glasses

We study the effect of physical aging on the mechanical properties of a model polymer glass using molecular dynamics simulations. The creep compliance is determined simultaneously with the structural relaxation under a constant uniaxial load below yield at constant temperature. The model successfully captures universal features found experimentally in polymer glasses, including signatures of mechanical rejuvenation. We analyze microscopic relaxation timescales and show that they exhibit the same aging characteristics as the macroscopic creep compliance. In addition, our model indicates that the entire distribution of relaxation times scales identically with age. Despite large changes in mobility, we observe comparatively little structural change except for a weak logarithmic increase in the degree of short-range order that may be correlated to an observed decrease in aging with increasing load.Comment: 9 pages, 12 figure

Universal collisionless transport of graphene

The impact of the electron-electron Coulomb interaction on the optical conductivity of graphene has led to a controversy that calls into question the universality of collisionless transport in this and other Dirac materials. Using a lattice calculation that avoids divergences present in previous nodal Dirac approaches, our work settles this controversy and obtains results in quantitative agreement with experiment over a wide frequency range. We also demonstrate that dimensional regularization methods agree, as long as the scaling properties of the conductivity and the regularization of the theory in modified dimension are correctly implemented. Tight-binding lattice and nodal Dirac theory calculations are shown to coincide at low energies even when the non-zero size of the atomic orbital wave function is included, conclusively demonstrating the universality of the optical conductivity of graphene.Comment: 4+ pages,4 figures; includes Supplemental Material (18 pages, 2 figures

Energy gaps in quantum first-order mean-field-like transitions: The problems that quantum annealing cannot solve

We study first-order quantum phase transitions in models where the mean-field traitment is exact, and the exponentially fast closure of the energy gap with the system size at the transition. We consider exactly solvable ferromagnetic models, and show that they reduce to the Grover problem in a particular limit. We compute the coefficient in the exponential closure of the gap using an instantonic approach, and discuss the (dire) consequences for quantum annealing.Comment: 6 pages, 3 figure