Short-time critical dynamics at perfect and non-perfect surface

We report Monte Carlo simulations of critical dynamics far from equilibrium on a perfect and non-perfect surface in the 3d Ising model. For an ordered initial state, the dynamic relaxation of the surface magnetization, the line magnetization of the defect line, and the corresponding susceptibilities and appropriate cumulant is carefully examined at the ordinary, special and surface phase transitions. The universal dynamic scaling behavior including a dynamic crossover scaling form is identified. The exponent $\beta_1$ of the surface magnetization and $\beta_2$ of the line magnetization are extracted. The impact of the defect line on the surface universality classes is investigated.Comment: 11figure

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.

Macroeconometric Modelling with a Global Perspective

This paper provides a synthesis and further development of a global modelling approach introduced in Pesaran, Schuermann and Weiner (2004), where country specific models in the form of VARX* structures are estimated relating a vector of domestic variables to their foreign counterparts and then consistently combined to form a Global VAR (GVAR). It is shown that VARX* models can be derived as the solution to a dynamic stochastic general equilibrium (DSGE) model where over-identifying long-run theoretical relations can be tested and imposed if acceptable. Similarly, short-run over-identifying theoretical restrictions can be tested and imposed if accepted. The assumption of the weak exogeneity of the foreign variables for the long-run parameters can be tested, where foreign variables can be interpreted as proxies for global factors. Rather than using deviations from ad hoc statistical trends, the equilibrium values of the variables reflecting the long-run theory embodied in the model can be calculated

Relevance of soft modes for order parameter fluctuations in the Two-Dimensional XY model

We analyse the spin wave approximation for the 2D-XY model, directly in reciprocal space. In this limit the model is diagonal and the normal modes are statistically independent. Despite this simplicity non-trivial critical properties are observed and exploited. We confirm that the observed asymmetry for the probability density function for order parameter fluctuations comes from the divergence of the mode amplitudes across the Brillouin zone. We show that the asymmetry is a many body effect despite the importance played by the zone centre. The precise form of the function is dependent on the details of the Gibbs measure, giving weight to the idea that an effective Gibbs measure should exist in non-equilibrium systems, if a similar distribution is observed.Comment: 12 pages, 9 figure

Surface-mediated attraction between colloids

We investigate the equilibrium properties of a colloidal solution in contact with a soft interface. As a result of symmetry breaking, surface effects are generally prevailing in confined colloidal systems. In this Letter, particular emphasis is given to surface fluctuations and their consequences on the local (re)organization of the suspension. It is shown that particles experience a significant effective interaction in the vicinity of the interface. This potential of mean force is always attractive, with range controlled by the surface correlation length. We suggest that, under some circumstances, surface-induced attraction may have a strong influence on the local particle distribution

De‐novo abnormal uteroplacental circulation in third trimester: pregnancy outcome and pathological implications

Objective Hypertensive disorders of pregnancy (HDP) are associated with impaired placentation, as evidenced by abnormal uterine artery (UtA) Doppler. In normal pregnancy, mean UtA pulsatility index (PI) shows a progressive decline with gestational age (GA). However, previous studies have reported that a proportion of pregnancies demonstrate worsening UtA Doppler in later pregnancy. The aim of this study was to investigate the incidence of HDP according to the change in mean UtA‐PI between the second and third trimesters. Methods This was a retrospective cohort study of singleton pregnancies between March 1997 and March 2016 that underwent longitudinal UtA Doppler assessment in the second and third trimesters. All parameters were converted into centiles or multiples of the median (MoM), adjusting for GA. The study cohort was divided into two groups, according to change in mean UtA‐PI between the second and third trimesters (those with a decrease or no change and those with an increase). HDP included women who developed pre‐eclampsia and/or gestational hypertension. Logistic regression analysis was used to adjust for potential confounders. Results The analysis included 5887 pregnancies. The incidence of HDP was significantly higher in the group with increasing mean UtA‐PI compared with those without (7.9% vs 5.8%; P = 0.002). Logistic regression analysis demonstrated that both third‐trimester UtA‐PI MoM (odds ratio (OR), 7.35; 95% CI, 4.66–11.6; P < 0.001) and stable or decrease in UtA‐PI MoM between the second and third trimesters (OR, 0.43; 95% CI, 0.31–0.60; P < 0.001) were significant independent predictors for the development of HDP. Conclusion Worsening of UtA Doppler is associated with HDP, independent of the value recorded in the second trimester

Static and dynamic properties of the interface between a polymer brush and a melt of identical chains

Molecular dynamics simulations of a short-chain polymer melt between two brush-covered surfaces under shear have been performed. The end-grafted polymers which constitute the brush have the same chemical properties as the free chains in the melt and provide a soft deformable substrate. Polymer chains are described by a coarse-grained bead-spring model with Lennard-Jones interactions between the beads and a FENE potential between nearest neighbors along the backbone of the chains. The grafting density of the brush layer offers a way of controlling the behavior of the surface without altering the molecular interactions. We perform equilibrium and non-equilibrium Molecular Dynamics simulations at constant temperature and volume using the Dissipative Particle Dynamics thermostat. The equilibrium density profiles and the behavior under shear are studied as well as the interdigitation of the melt into the brush, the orientation on different length scales (bond vectors, radius of gyration, and end-to-end vector) of free and grafted chains, and velocity profiles. The viscosity and slippage at the interface are calculated as functions of grafting density and shear velocity.Comment: 12 pages, submitted to J Chem Phy

Effect of Childhood Trauma on Adult Depression and Neuroendocrine Function: Sex-Specific Moderation by CRH Receptor 1 Gene

Variations of the corticotropin-releasing hormone receptor 1 (CRHR1) gene appear to moderate the development of depression after childhood trauma. Depression more frequently affects women than men. We examined sex differences in the effects of the CRHR1 gene on the relationship between childhood trauma and adult depression. We recruited 1,063 subjects from the waiting rooms of a public urban hospital. Childhood trauma exposure and symptoms of depression were assessed using dimensional rating scales. Subjects were genotyped for rs110402 within the CRHR1 gene. An independent sample of 78 subjects underwent clinical assessment, genotyping, and a dexamethasone/CRH test. The age range at recruitment was 18–77 years and 18–45, for the two studies respectively. In the hospital sample, the protective effect of the rs110402 A-allele against developing depression after childhood trauma was observed in men (N = 424), but not in women (N = 635). In the second sample, the rs110402 A-allele was associated with decreased cortisol response in the dexamethasone/CRH test only in men. In A-allele carriers with childhood trauma exposure women exhibited increased cortisol response compared men; there were no sex differences in A-allele carriers without trauma exposure. This effect may, however, not be related to gender differences per se, but to differences in the type of experienced abuse between men and women. CRHR × environment interactions in the hospital sample were observed with exposure to physical, but not sexual or emotional abuse. Physical abuse was the most common type of abuse in men in this cohort, while sexual abuse was most commonly suffered by women. Our results suggest that the CRHR1 gene may only moderate the effects of specific types of childhood trauma on depression. Gender differences in environmental exposures could thus be reflected in sex-specific CRHR1 × child abuse interactions

Coexistence Curve Singularities at Critical End Points

We report an extensive Monte Carlo study of critical end point behaviour in a symmetrical binary fluid mixture. On the basis of general scaling arguments, singular behaviour is predicted in the diameter of the liquid-gas coexistence curve as the critical end point is approached. The simulation results show clear evidence for this singularity, as well as confirming a previously predicted singularity in the coexistence chemical potential. Both singularities should be detectable experimentally.Comment: 9 pages Revtex, 3 figures. To appear in Phys. Rev. Let