Exponential distributions of collective flow-event properties in viscous liquid dynamics

We study the statistics of flow events in the inherent dynamics in supercooled two- and three-dimensional binary Lennard-Jones liquids. Distributions of changes of the collective quantities energy, pressure and shear stress become exponential at low temperatures, as does that of the event "size" $S\equiv\sum {d_i}^2$. We show how the $S$-distribution controls the others, while itself following from exponential tails in the distributions of (1) single particle displacements $d$, involving a Lindemann-like length $d_L$ and (2) the number of active particles (with $d>d_L$).Comment: Accepter version (PRL

The Distance to NGC 4993: The Host Galaxy of the Gravitational-wave Event GW170817

The historic detection of gravitational waves from a binary neutron star merger (GW170817) and its electromagnetic counterpart led to the first accurate (sub-arcsecond) localization of a gravitational-wave event. The transient was found to be $\sim$10" from the nucleus of the S0 galaxy NGC 4993. We report here the luminosity distance to this galaxy using two independent methods. (1) Based on our MUSE/VLT measurement of the heliocentric redshift ($z_{\rm helio}=0.009783\pm0.000023$) we infer the systemic recession velocity of the NGC 4993 group of galaxies in the cosmic microwave background (CMB) frame to be $v_{\rm CMB}=3231 \pm 53$ km s$^{-1}$. Using constrained cosmological simulations we estimate the line-of-sight peculiar velocity to be $v_{\rm pec}=307 \pm 230$ km s$^{-1}$, resulting in a cosmic velocity of $v_{\rm cosmic}=2924 \pm 236$ km s$^{-1}$ ($z_{\rm cosmic}=0.00980\pm 0.00079$) and a distance of $D_z=40.4\pm 3.4$ Mpc assuming a local Hubble constant of $H_0=73.24\pm 1.74$ km s$^{-1}$ Mpc$^{-1}$. (2) Using Hubble Space Telescope measurements of the effective radius (15.5" $\pm$ 1.5") and contained intensity and MUSE/VLT measurements of the velocity dispersion, we place NGC 4993 on the Fundamental Plane (FP) of E and S0 galaxies. Comparing to a frame of 10 clusters containing 226 galaxies, this yields a distance estimate of $D_{\rm FP}=44.0\pm 7.5$ Mpc. The combined redshift and FP distance is $D_{\rm NGC 4993}= 41.0\pm 3.1$ Mpc. This 'electromagnetic' distance estimate is consistent with the independent measurement of the distance to GW170817 as obtained from the gravitational-wave signal ($D_{\rm GW}= 43.8^{+2.9}_{-6.9}$ Mpc) and confirms that GW170817 occurred in NGC 4993.Comment: 9 pages, 5 figure

Isomorphs in model molecular liquids

Isomorphs are curves in the phase diagram along which a number of static and dynamic quantities are invariant in reduced units. A liquid has good isomorphs if and only if it is strongly correlating, i.e., the equilibrium virial/potential energy fluctuations are more than 90% correlated in the NVT ensemble. This paper generalizes isomorphs to liquids composed of rigid molecules and study the isomorphs of two systems of small rigid molecules, the asymmetric dumbbell model and the Lewis-Wahnstrom OTP model. In particular, for both systems we find that the isochoric heat capacity, the excess entropy, the reduced molecular center-of-mass self part of the intermediate scattering function, the reduced molecular center-of-mass radial distribution function to a good approximation are invariant along an isomorph. In agreement with theory, we also find that an instantaneous change of temperature and density from an equilibrated state point to another isomorphic state point leads to no relaxation. The isomorphs of the Lewis-Wahnstrom OTP model were found to be more approximative than those of the asymmetric dumbbell model, which is consistent with the OTP model being less strongly correlating. For both models we find "master isomorphs", i.e., isomorphs have identical shape in the virial/potential energy phase diagram.Comment: 20 page

Ac hopping conduction at extreme disorder takes place on the percolating cluster

Simulations of the random barrier model show that ac currents at extreme disorder are carried almost entirely by the percolating cluster slightly above threshold; thus contradicting traditional theories contributions from isolated low-activation-energy clusters are negligible. The effective medium approximation in conjunction with the Alexander-Orbach conjecture leads to an excellent analytical fit to the universal ac conductivity with no nontrivial fitting parameters

Diffusion and jump-length distribution in liquid and amorphous Cu33_{33}Zr67_{67}

Using molecular dynamics simulation, we calculate the distribution of atomic jum ps in Cu$_{33}$Zr$_{67}$ in the liquid and glassy states. In both states the distribution of jump lengths can be described by a temperature independent exponential of the length and an effective activation energy plus a contribution of elastic displacements at short distances. Upon cooling the contribution of shorter jumps dominates. No indication of an enhanced probability to jump over a nearest neighbor distance was found. We find a smooth transition from flow in the liquid to jumps in the g lass. The correlation factor of the diffusion constant decreases with decreasing temperature, causing a drop of diffusion below the Arrhenius value, despite an apparent Arrhenius law for the jump probability

Dynamics of Baltic ecosystems and causes of their variability

Dynamics of Baltic ecosystems and causes of their variability are discussed and special attention is paid to the use of ecological models as a tool for research and management. - The causes of the observed changes in salinity, temperature, and oxygen of the deep water of the Baltic Sea are reviewed and discussed. - The work has led to the formulation of a hypothesis by which it appears possible to explain the oxygen development and the long-term development of other hydrographic components. The analyses indicate that the change of the level of the interface from - 80 m at the beginning of the century to about - 60 m today has increased the quantity of dead organic matter sinking down through the halocline as a consequence of the increased area of contact between the surface water and the deep water. The increased contact area has led to a corresponding increase in all fluxes through the halocline driven by turbulent gradient diffusion including an increase in the upward flux of nutrients. This has led to a fertilization of the surface water which has increased organic production in the surface zone. This in turn increases the amount of dead organic matter supplied to the deep water. At the same time the temperature increase has increased the rate of oxygen consumption. The net result is that oxygen in the deep water is being consumed at a much higher rate today than previously. lt is estimated that the rate of consumption has increased about 110% since the end of the last century. This implies an increase in the primary production of about 40%. - The supply of oxygen to the deep water has increased primarily as a consequence of the increase in the area of contact between the surface water and the deep water, and secondly as a consequence of an increase in the vertical oxygen concentration gradient. However, the rate of increase of supply has been smaller than the rate of increase of the consumption. The relative difference between the consumption and the supply has increased from 0 at equilibrium conditions at the end of the last century to about 10% today. Although this change in the balance between supply and consumption appears to be marginal, it is nevertheless sufficient to bring about the dramatic decrease of the oxygen concentration in the deep water from about 3 ml/l at the end of the last century to close to O ml/l today. - The model introduced represents a preliminary step towards a Baltic model, which necessarily must take the changing position of the halocline and related effects into account

NVU dynamics. II. Comparing to four other dynamics

In the companion paper [Ingebrigtsen et al., arXiv:1012.3447] an algorithm was developed for tracing out a geodesic curve on the constant-potential-energy hypersurface. Here simulations of this NVU dynamics are compared to results for four other dynamics, both deterministic and stochastic. First, NVU dynamics is compared to the standard energy-conserving Newtonian NVE dynamics by simulations of the Kob-Andersen binary Lennard-Jones liquid, its WCA version (i.e., with cut-off's at the pair potential minima), and the Gaussian Lennard-Jones liquid. We find identical results for all quantities probed: radial distribution functions, incoherent intermediate scattering functions, and mean-square displacement as function of time. Arguments are then presented for the equivalence of NVU and NVE dynamics in the thermodynamic limit; in particular to leading order in 1/N these two dynamics give identical time-autocorrelation functions. In the final section NVU dynamics is compared to Monte Carlo dynamics, to a diffusive dynamics of small-step random walks on the constant-potential-energy hypersurface, and to Nose-Hoover NVT dynamics. If time is scaled for the two stochastic dynamics to make their single-particle diffusion constants identical to those of NVE dynamics, the simulations show that all five dynamics are equivalent at low temperatures except at short times

Observation of Single Transits in Supercooled Monatomic Liquids

A transit is the motion of a system from one many-particle potential energy valley to another. We report the observation of transits in molecular dynamics (MD) calculations of supercooled liquid argon and sodium. Each transit is a correlated simultaneous shift in the equilibrium positions of a small local group of particles, as revealed in the fluctuating graphs of the particle coordinates versus time. This is the first reported direct observation of transit motion in a monatomic liquid in thermal equilibrium. We found transits involving 2 to 11 particles, having mean shift in equilibrium position on the order of 0.4 R_1 in argon and 0.25 R_1 in sodium, where R_1 is the nearest neighbor distance. The time it takes for a transit to occur is approximately one mean vibrational period, confirming that transits are fast.Comment: 19 pages, 8 figure