Comparison of Dissipative Particle Dynamics and Langevin thermostats for out-of-equilibrium simulations of polymeric systems

In this work we compare and characterize the behavior of Langevin and Dissipative Particle Dynamics (DPD) thermostats in a broad range of non-equilibrium simulations of polymeric systems. Polymer brushes in relative sliding motion, polymeric liquids in Poiseuille and Couette flows, and brush-melt interfaces are used as model systems to analyze the efficiency and limitations of different Langevin and DPD thermostat implementations. Widely used coarse-grained bead-spring models under good and poor solvent conditions are employed to assess the effects of the thermostats. We considered equilibrium, transient, and steady state examples for testing the ability of the thermostats to maintain constant temperature and to reproduce the underlying physical phenomena in non-equilibrium situations. The common practice of switching-off the Langevin thermostat in the flow direction is also critically revisited. The efficiency of different weight functions for the DPD thermostat is quantitatively analyzed as a function of the solvent quality and the non-equilibrium situation.Comment: 12 pages, introduction improved, references added, to appear in Phys. Rev.

Probing the Light Pseudoscalar Window

Very light pseudoscalars can arise from the symmetry-breaking sector in many extensions of the Standard Model. If their mass is below 200 MeV, they can be long-lived and have interesting phenomenology. We discuss the experimental constraints on several models with light pseudoscalars, including one in which the pseudoscalar is naturally fermiophobic. Taking into account the stringent bounds from rare K and B decays, we find allowed parameter space in each model that may be accessible in direct production experiments. In particular, we study the photoproduction of light pseudoscalars at Jefferson Lab and conclude that a beam dump experiment could explore some of the allowed parameter space of these models.Comment: 22 pages, 4 figure

Supernova Simulations with Boltzmann Neutrino Transport: A Comparison of Methods

Accurate neutrino transport has been built into spherically symmetric simulations of stellar core collapse and postbounce evolution. The results of such simulations agree that spherically symmetric models with standard microphysical input fail to explode by the delayed, neutrino-driven mechanism. Independent groups implemented fundamentally different numerical methods to tackle the Boltzmann neutrino transport equation. Here we present a direct and detailed comparison of such neutrino radiation-hydrodynamical simulations for two codes, Agile-Boltztran of the Oak Ridge-Basel group and Vertex of the Garching group. The former solves the Boltzmann equation directly by an implicit, general relativistic discrete angle method on the adaptive grid of a conservative implicit hydrodynamics code with second-order TVD advection. In contrast, the latter couples a variable Eddington factor technique with an explicit, moving-grid, conservative high-order Riemann solver with important relativistic effects treated by an effective gravitational potential. The presented study is meant to test both neutrino radiation-hydrodynamics implementations and to provide a data basis for comparisons and verifications of supernova codes to be developed in the future. Results are discussed for simulations of the core collapse and post-bounce evolution of a 13 solar mass star with Newtonian gravity and a 15 solar mass star with relativistic gravity.Comment: 23 pages, 13 figures, revised version, to appear in Ap

On the Formation of Copper Linear Atomic Suspended Chains

We report high resolution transmission electron microscopy and classical molecular dynamics simulation results of mechanically stretching copper nanowires conducting to linear atomic suspended chains (LACs) formation. In contrast with some previous experimental and theoretical work in literature that stated that the formation of LACs for copper should not exist our results showed the existence of LAC for the [111], [110], and [100] crystallographic directions, being thus the sequence of most probable occurence.Comment: 4 pages, 3 figure

Ballistic transport, chiral anomaly and emergence of the neutral electron - hole plasma in graphene

The process of coherent creation of particle - hole excitations by an electric field in graphene is quantitatively described using a dynamic "first quantized" approach. We calculate the evolution of current density, number of pairs and energy in ballistic regime using the tight binding model. The series in electric field strength $E$ up to third order in both DC and AC are calculated. We show how the physics far from the two Dirac points enters various physical quantities in linear response and how it is related to the chiral anomaly. The third harmonic generation and the imaginary part of conductivity are obtained. It is shown that at certain time scale $t_{nl}\propto E^{-1/2}$ the physical behaviour dramatically changes and the perturbation theory breaks down. Beyond the linear response physics is explored using an exact solution of the first quantized equations. While for small electric fields the I-V curve is linear characterized by the universal minimal resistivity $\sigma =\pi /2(e^{2}/h)$%, at $t>t_{nl}$ the conductivity grows fast. The copious pair creation (with rate $E^{3/2}$), analogous to Schwinger's electron - positron pair creation from vacuum in QED, leads to creation of the electron - hole plasma at ballistic times of order $t_{nl}$. This process is terminated by a relaxational recombination.Comment: 15 pages, 5 figures

Observation of a parity oscillation in the conductance of atomic wires

Using a scanning tunnel microscope or mechanically controlled break junctions, atomic contacts of Au, Pt and Ir are pulled to form chains of atoms. We have recorded traces of conductance during the pulling process and averaged these for a large amount of contacts. An oscillatory evolution of conductance is observed during the formation of the monoatomic chain suggesting a dependence on even or odd numbers of atoms forming the chain. This behaviour is not only present in the monovalent metal Au, as it has been previously predicted, but is also found in the other metals which form chains suggesting it to be a universal feature of atomic wires

Reproducibility of lymphovascular space invasion (LVSI) assessment in endometrial cancer

Aims Lymphovascular space invasion (LVSI) in endometrial cancer (EC) is an important prognostic variable impacting on a patient's individual recurrence risk and adjuvant treatment recommendations. Recent work has shown that grading the extent of LVSI further improves its prognostic strength in patients with stage I endometrioid EC. Despite this, there is little information on the reproducibility of LVSI assessment in EC. Therefore, we designed a study to evaluate interobserver agreement in discriminating true LVSI from LVSI mimics (Phase I) and reproducibility of grading extent of LVSI (Phase II). Methods and results Scanned haematoxylin and eosin (H&E) slides of endometrioid EC (EEC) with a predefined possible LVSI focus were hosted on a website and assessed by a panel of six European gynaecological pathologists. In Phase I, 48 H&E slides were included for LVSI assessment and in Phase II, 42 H&E slides for LVSI grading. Each observer was instructed to apply the criteria for LVSI used in daily practice. The degree of agreement was measured using the two-way absolute agreement average-measures intraclass correlation coefficient (ICC). Reproducibility of LVSI assessment (ICC = 0.64, P < 0.001) and LVSI grading (ICC = 0.62, P < 0.001) in EEC was substantial among the observers. Conclusions Given the good reproducibility of LVSI, this study further supports the important role of LVSI in decision algorithms for adjuvant treatment