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Polyethylene (PE) chains, with CH2 groups replaced by CBr2 at regular intervals ("precision PE"), have been observed to exhibit competing polymorphs driven by a preference for quantized fold lengths by Tasaki et al. Motivated by this recent discovery, the crystallisation behaviour of such precision PE chains, 400 carbons long with CBr2 groups placed regularly at every 21st carbon, is investigated using molecular dynamics simulations. The united-monomer model of PE is extended to include dibromo groups, with steric clashes at the bromines reflected in a triple-well bending potential, demonstrating its function as a preferred fold site. Different crystallisation protocols, continuous-cooling and self-seeding, reveal remarkably different crystals. Using self-seeding, the crystalline lamellar thickness increases monotonically with temperature, in quantized multiples of the distance between dibromo units. Polymer chains are observed to fold preferentially at the dibromo groups and such groups appear to be tolerated within the crystal lamellae. On quenching the bromos assemble to form registered layers, not unlike Smectic phases observed in liquid crystals, which confirms the experimental observation of competing Form I and Form I' polymorphs.

Autonomously trained agents that are supposed to play video games reasonably well rely either on fast simulation speeds or heavy parallelization across thousands of machines running concurrently. This work explores a third way that is established in robotics, namely sim-to-real transfer, or if the game is considered a simulation itself, sim-to-sim transfer. In the case of Rocket League, we demonstrate that single behaviors of goalies and strikers can be successfully learned using Deep Reinforcement Learning in the simulation environment and transferred back to the original game. Although the implemented training simulation is to some extent inaccurate, the goalkeeping agent saves nearly 100% of its faced shots once transferred, while the striking agent scores in about 75% of cases. Therefore, the trained agent is robust enough and able to generalize to the target domain of Rocket League., Comment: Accepted at IEEE Conference on Games 2022, 8 pages, 6 figures, 3 tables

We have constructed an apparatus containing a linear ion trap and a high-finesse optical cavity in the ultraviolet spectral range. In our construction, we have avoided all organic materials inside the ultrahigh vacuum chamber. We show that, unlike previously reported, the optical cavity does not degrade in performance over a time scale of 9 months.

We study the compression of bundles of aligned macroscopic fibers with intrinsic shape disorder, as found in human hair and in many other natural and man-made systems. We show by a combination of experiments, numerical simulations and theory how the statistical properties of the shapes of the fibers control the collective mechanical behaviour of the bundles. This work paves the way for designing aligned fibrous matter with pre-required properties from large numbers of individual strands of selected geometry and rigidity., Comment: 14 pages, 15 figures

We study a dispersion-compensated high-finesse optical Fabry-Perot microcavity under high-intensity cw pumping. The Kerr non-linearity in the optical coatings causes a spontaneous four-wave mixing process, which leads to the emission of time-correlated photon pairs. The photon frequencies are shifted by $\pm 1$ free spectral range relative to the pump frequency. This setup allows for constructing a photon-pair source with precisely adjustable frequency difference between the emitted photons, which may have applications in quantum communication., Comment: accepted for publication in PRA

In polymer physics it is typically assumed that excluded volume interactions are effectively screened in polymer melts. Hence, chains could be described by an effective random walk without excluded volume interactions. In this letter, we show that this mapping is problematic by analyzing the occurrence of knots, their spectrum and sizes in polymer melts, corresponding random walks and chains in dilute solution. The effective random walk severely overrates the occurrence of knots and their complexity, particularly when compared to melts of flexible chains, indicating that non-trivial effects due to remnants of self-avoidance still play a significant role for the chain lengths considered in this numerical study. For melts of semiflexible chains, the effect is less pronounced. In addition, we find that chains in a melt are very similar in structure and topology to dilute single chains close to the collapse transition, which indicates that the latter are also not well-represented by random walks. We finally show that typical equilibration procedures are well-suited to relax the topology in melts.

In this work, a new type of high through-put Czerny-Turner spectrometer has been developed which allows to acquire multiple channels simultaneously with a repetition time on the order of \SI{10}{\us} at different wavelengths. The spectrometer has been coupled to the edge charge exchange recombination system at ASDEX Upgrade which has been recently refurbished with new lines of sight. Construction features, calibration methods, and initial measurements obtained with the new setup will be presented., Comment: 13 pages, 7 figures

Surface tension-driven flow techniques have recently emerged as an efficient means of shedding light into the rheology of thin polymer films. Motivated by experimental and theoretical approaches in films bearing a varying surface topography, we present results on the capillary relaxation of a square pattern at the free surface of a viscoelastic polymer film, using molecular dynamics simulations of a coarse-grained polymer model. Height profiles are monitored as a function of time after heating the system above its glass-transition temperature and their time dependence is fitted to the theory of capillary leveling. Results show that the viscosity is not constant, but time dependent. In addition to providing a complementary insight about the local inner mechanisms, our simulations of the capillary-leveling process therefore probe the viscoelasticity of the polymer and not only its viscosity, in contrast to previous experimental approaches.

We experimentally demonstrate coupling of an atomically thin, free-standing graphene membrane to an optical cavity. By changing the position of the membrane along the standing-wave field of the cavity we tailor the dissipative coupling between the membrane and the cavity, and we show that the dissipative coupling can outweigh the dispersive coupling. Such a system, for which controlled dissipation prevails dispersion, will prove useful for novel laser-cooling schemes in optomechanics. In addition, we have determined the continuous-wave optical damage threshold of free-standing monolayer graphene of 1.8(4)~MW/cm$^2$ at 780nm.

We present the realization of a combined trapped-ion and optical cavity system, in which a single Yb^+ ion is confined by a micron-scale ion trap inside a 230 mum-long optical fiber cavity. We characterize the spatial ion-cavity coupling and measure the ion-cavity coupling strength using a cavity-stimulated Lambda-transition. Owing to the small mode volume of the fiber resonator, the coherent coupling strength between the ion and a single photon exceeds the natural decay rate of the dipole moment. This system can be integrated into ion-photon quantum networks and is a step towards cavity quantum-electrodynamics (cavity-QED) based quantum information processing with trapped ions.

We perform laser spectroscopy of Yb+ ions on the 4f14 6s 2S_{1/2} - 4f13 5d 6s 3D[3/2]_{1/2} transition at 297 nm. The frequency measurements for 170Yb+, 172Yb+, 174Yb+, and 176Yb+ reveal the specific mass shift as well as the field shifts. In addition, we demonstrate laser cooling of Yb+ ions using this transition and show that light at 297 nm can be used as the second step in the photoionization of neutral Yb atoms.

By Monte Carlo simulations of a variant of the bond-fluctuation model without topological constraints we examine the center-of-mass (COM) dynamics of polymer melts in $d=3$ dimensions. Our analysis focuses on the COM displacement correlation function $\CN(t) \approx \partial_t^2 \MSDcmN(t)/2$, measuring the curvature of the COM mean-square displacement $\MSDcmN(t)$. We demonstrate that $\CN(t) \approx -(\RN/\TN)^2 (\rhostar/\rho) \ f(x=t/\TN)$ with $N$ being the chain length ($16 \le N \le 8192$), $\RN\sim N^{1/2}$ the typical chain size, $\TN\sim N^2$ the longest chain relaxation time, $\rho$ the monomer density, $\rhostar \approx N/\RN^d$ the self-density and $f(x)$ a universal function decaying asymptotically as $f(x) \sim x^{-\omega}$ with $\omega = (d+2) \times \alpha$ where $\alpha = 1/4$ for $x \ll 1$ and $\alpha = 1/2$ for $x \gg 1$. We argue that the algebraic decay $N \CN(t) \sim - t^{-5/4}$ for $t \ll \TN$ results from an interplay of chain connectivity and melt incompressibility giving rise to the correlated motion of chains and subchains., Comment: 27 pages, 12 figures

We report on quantitative comparisons between simulation results of a bead-spring model and mode-coupling theory calculations for the structural and conformational dynamics of a supercooled, unentangled polymer melt. We find semiquantitative agreement between simulation and theory, except for processes that occur on intermediate length scales between the compressibility plateau and the amorphous halo of the static structure factor. Our results suggest that the onset of slow relaxation in a glass-forming melt can be described in terms of monomer-caging supplemented by chain connectivity. Furthermore, a unified atomistic description of glassy arrest and of conformational fluctuations that (asymptotically) follow the Rouse model, emerges from our theory., Comment: 54 pages, 10 figures

The formation of chain-folded structures from the melt is observed in molecular dynamics simulations resembling the lamellae of polymer crystals. Crystallization and subsequent melting temperatures are related linearly to the inverse lamellar thickness. Analysis of the single chain conformations in the crystal shows that most chains reenter the same lamella by tight backfolds. Simulations are performed with a mesoscopic bead-spring model including a specific angle bending potential. They demonstrate that chain stiffness alone, without an attractive inter-particle potential, is a sufficient driving force for the formation of chain-folded lamellae., Comment: 4 pages, 5 figures

We implemented a coarse-graining procedure to construct mesoscopic models of complex molecules. The final aim is to obtain better results on properties depending on slow modes of the molecules. Therefore the number of particles considered in molecular dynamics simulations is reduced while conserving as many properties of the original substance as possible. We address the problem of finding nonbonded interaction parameters which reproduce structural properties from experiment or atomistic simulations. The approach consists of optimizing automatically nonbonded parameters using the simplex algorithm to fit structural properties like the radial distribution function as target functions. Moreover, any mix of structural and thermodynamic properties can be included in the target function. Different spherically symmetric inter-particle potentials are discussed. Besides demonstrating the method for Lennard--Jones liquids, it is applied to several more complex molecular liquids such as diphenyl carbonate, tetrahydrofurane, and monomers of poly(isoprene)., Comment: 24 pages, 3 tables, 14 figures submitted to the Journal of Chemical Physics (JCP)

We develop coarse-grained force fields for poly (vinyl alcohol) and poly (acrylic acid) oligomers. In both cases, one monomer is mapped onto a coarse-grained bead. The new force fields are designed to match structural properties such as radial distribution functions of various kinds derived by atomistic simulations of these polymers. The mapping is therefore constructed in a way to take into account as much atomistic information as possible. On the technical side, our approach consists of a simplex algorithm which is used to optimize automatically non-bonded parameters as well as bonded parameters. Besides their similar conformation (only the functional side group differs), poly (acrylic acid) was chosen to be in aqueous solution in contrast to a poly (vinyl alcohol) melt. For poly (vinyl alcohol) a non-optimized bond angle potential turns out to be sufficient in connection with a special, optimized non-bonded potential. No torsional potential has to be applied here. For poly (acrylic acid), we show that each peak of the radial distribution function is usually dominated by some specific model parameter(s). Optimization of the bond angle parameters is essential. The coarse-grained forcefield reproduces the radius of gyration of the atomistic model. As a first application, we use the force field to simulate longer chains and compare the hydrodynamic radius with experimental data., Comment: 34 pages, 3 tables, 16 figures

The full spectrum of transfer matrices of the general eight-vertex model on a square lattice is obtained by numerical diagonalization. The eigenvalue spacing distribution and the spectral rigidity are analyzed. In non-integrable regimes we have found eigenvalue repulsion as for the Gaussian orthogonal ensemble in random matrix theory. By contrast, in integrable regimes we have found eigenvalue independence leading to a Poissonian behavior, and, for some points, level clustering. These first examples from classical statistical mechanics suggest that the conjecture of integrability successfully applied to quantum spin systems also holds for classical systems., Comment: 4 pages, 1 Revtex file and 4 postscript figures tarred, gzipped and uuencoded