Diffusion on a stepped substrate

We present results for collective diffusion of adatoms on a stepped substrate with a submonolayer coverage. We study the combined effect of the additional binding at step edge, the Schwoebel barrier, the enhanced diffusion along step edges, and the finite coverage on diffusion as a function of step density. In particular, we examine the crossover from step--dominated diffusion at high step density to terrace-dominated behavior at low step density in a lattice-gas model using analytical Green's function techniques and Monte Carlo simulations. The influence of steps on diffusion is shown to be more pronounced than previously anticipated.Comment: 4 pages, RevTeX, 3 Postscript figure

Numerical thermo-elasto-plastic analysis of residual stresses on different scales during cooling of hot forming parts

In current research, more and more attention is paid to the understanding of residual stress states as well as the application of targeted residual stresses to extend e.g. life time or stiffness of a part. In course of that, the numerical simulation and analysis of the forming process of components, which goes along with the evolution of residual stresses, play an important role. In this contribution, we focus on the residual stresses arising from the austenite-to-martensite transformation at microscopic and mesoscopic level of a Cr-alloyed steel. A combination of a Multi-Phase-Field model and a two-scale Finite Element simulation is utilized for numerical analysis. A first microscopic simulation considers the lattice change, such that the results can be homogenized and applied on the mesoscale. Based on this result, a polycrystal consisting of a certain number of austenitic grains is built and the phase transformation from austenite to martensite is described with respect to the mesoscale. Afterwards, in a two-scale Finite Element simulation the plastic effects are considered and resulting residual stress states are computed

Hypoalbuminaemia predicts outcome in adult patients with congenital heart disease

Background In patients with acquired heart failure, hypoalbuminaemia is associated with increased risk of death. The prevalence of hypoproteinaemia and hypoalbuminaemia and their relation to outcome in adult patients with congenital heart disease (ACHD) remains, however, unknown. Methods Data on patients with ACHD who underwent blood testing in our centre within the last 14 years were collected. The relation between laboratory, clinical or demographic parameters at baseline and mortality was assessed using Cox proportional hazards regression analysis. Results A total of 2886 patients with ACHD were included. Mean age was 33.3 years (23.6–44.7) and 50.1% patients were men. Median plasma albumin concentration was 41.0 g/L (38.0–44.0), whereas hypoalbuminaemia (<35 g/L) was present in 13.9% of patients. The prevalence of hypoalbuminaemia was significantly higher in patients with great complexity ACHD (18.2%) compared with patients with moderate (11.3%) or simple ACHD lesions (12.1%, p<0.001). During a median follow-up of 5.7 years (3.3–9.6), 327 (11.3%) patients died. On univariable Cox regression analysis, hypoalbuminaemia was a strong predictor of outcome (HR 3.37, 95% CI 2.67 to 4.25, p<0.0001). On multivariable Cox regression, after adjusting for age, sodium and creatinine concentration, liver dysfunction, functional class and disease complexity, hypoalbuminaemia remained a significant predictor of death. Conclusions Hypoalbuminaemia is common in patients with ACHD and is associated with a threefold increased risk of risk of death. Hypoalbuminaemia, therefore, should be included in risk-stratification algorithms as it may assist management decisions and timing of interventions in the growing ACHD population

He Scattering from Compact Clusters and from Diffusion-Limited Aggregates on Surfaces: Observable Signatures of Structure

The angular intensity distribution of He beams scattered from compact clusters and from diffusion limited aggregates, epitaxially grown on metal surfaces, is investigated theoretically. The purpose is twofold: to distinguish compact cluster structures from diffusion limited aggregates, and to find observable {\em signatures} that can characterize the compact clusters at the atomic level of detail. To simplify the collision dynamics, the study is carried out in the framework of the sudden approximation, which assumes that momentum changes perpendicular to the surface are large compared with momentum transfer due to surface corrugation. The diffusion limited aggregates on which the scattering calculations were done, were generated by kinetic Monte Carlo simulations. It is demonstrated, by focusing on the example of compact Pt Heptamers, that signatures of structure of compact clusters may indeed be extracted from the scattering distribution. These signatures enable both an experimental distinction between diffusion limited aggregates and compact clusters, and a determination of the cluster structure. The characteristics comprising the signatures are, to varying degrees, the Rainbow, Fraunhofer, specular and constructive interference peaks, all seen in the intensity distribution. It is also shown, how the distribution of adsorbate heights above the metal surface can be obtained by an analysis of the specular peak attenuation. The results contribute to establishing He scattering as a powerful tool in the investigation of surface disorder and epitaxial growth on surfaces, alongside with STM.Comment: 41 pages, 16 postscript figures. For more details see http://www.fh.huji.ac.il/~dan

Static and Dynamic Monte Carlo Simulations of Br Electrodeposition on Ag(100)

We study the static and dynamic properties of bromine electrosorption onto single-crystal silver (100) electrodes by Monte Carlo simulation. At room temperature the system displays a second-order phase transition between a low-coverage disordered phase at more negative electrode potentials and a c(2x2) ordered phase with bromine coverage 1/2 at more positive potentials. We explore the phase diagram and demonstrate that the broad shoulder observed in room-temperature cyclic voltammograms is due to local fluctuations resembling ordered phases with coverage 1/4 which exist in the model at much lower temperatures. We construct a dynamic Monte Carlo algorithm using a thermally activated stochastic barrier-hopping model for the microscopic dynamics. We use this algorithm to study the phase ordering and disordering processes following sudden potential steps between the disordered phase and the c(2x2) phase and to study the sweep-rate dependence in simulated cyclic-voltammetry experiments.Comment: 28 pages, 15 figures. Higher quality figures and movies are available at http://www.csit.fsu.edu/~rikvold Version updated with revised Surface Science manuscrip

Non-Arrhenius Behavior of Surface Diffusion Near a Phase Transition Boundary

We study the non-Arrhenius behavior of surface diffusion near the second-order phase transition boundary of an adsorbate layer. In contrast to expectations based on macroscopic thermodynamic effects, we show that this behavior can be related to the average microscopic jump rate which in turn is determined by the waiting-time distribution W(t) of single-particle jumps at short times. At long times, W(t) yields a barrier that corresponds to the rate-limiting step in diffusion. The microscopic information in W(t) should be accessible by STM measurements.Comment: 4 pages, Latex with RevTeX macro

Interventional creation of an atrial septal defect and its impact on right ventricular function: An animal study with the pressure-volume conductance system

Background: The aim of our study was to assess the suitability of different interventional techniques to create an atrial septal defect (ASD) and to evaluate the short-term effects of right ventricular (RV) volume overload on RV contractility in the growing swine. Methods: Thirteen ASD and six control animals were studied. An ASD was created by balloon dilatation (BD) of the fossa ovalis (n = 4) or by implantation of a multi-perforated Amplatzer Septal Occluder (n = 4) or a patch-less nitinol device (n = 5). After 4.8 (3.9&#8211;6.0) weeks, the amounts of left-to-right shunting (Qp/Qs) and RV contractility (end systolic elastance &#8212; Ees) were assessed. Results: In the ASD group, a significant left-to-right shunt could be documented (Qp/Qs 1.5 &#177; &#177; 0.4). However, a shunt was absent in the BD subgroup (Qp/Qs 1.1 &#177; 0.1). In animals with devices implanted, a significant relationship between the post-mortem ASD area and Qp/Qs was found (r = 0.68, p < 0.05). Compared to controls, RV contractility was not significantly impaired at rest and during dobutamine in ASD animals (Ees: 0.40 &#177; 0.20 vs 0.54 &#177; 0.12 and 0.75 &#177; 0.29 vs 1.04 &#177; 0.24 mm Hg/mL, p = NS for both). Conclusions: Device implantation is necessary to create a patent ASD resulting in significant left-to-right shunting. In an experimental ASD model, a five week period of chronic RV volume overload does not alter RV contractility significantly. (Cardiol J 2011; 18, 3: 289&#8211;296

Serial Assessment of Right Ventricular Deformation in Patients With Hypoplastic Left Heart Syndrome: A Cardiovascular Magnetic Resonance Feature Tracking Study

Background As right ventricular dysfunction is a major cause of adverse outcome in patients with hypoplastic left heart syndrome, the aim was to assess right ventricular function and deformation after Fontan completion by performing 2-dimensional cardiovascular magnetic resonance feature tracking in serial cardiovascular magnetic resonance studies. Methods and Results Cardiovascular magnetic resonance examinations of 108 patients with hypoplastic left heart syndrome (female: 31) were analyzed. Short-axis cine images were used for right ventricular volumetry. Two-dimensional cardiovascular magnetic resonance feature tracking was performed using long-axis and short-axis cine images to measure myocardial global longitudinal, circumferential, and radial strain. All patients had at least 2 cardiovascular magnetic resonance examinations after Fontan completion and 41 patients had 3 examinations. Global strain values and right ventricular ejection fraction decreased from the first to the third examination with a significant decline in global longitudinal strain from the first examination to the second examination (median, first, and third quartile: -18.8%, [-20.5;-16.5] versus -16.9%, [-19.3;-14.7]) and from the first to the third examination in 41 patients (-18.6%, [-20.9;-15.7] versus -15.8%, [-18.7;-12.6]; P-values <0.004). Right ventricular ejection fraction decreased significantly from the first to the third examination (55.4%, [49.8;59.3] versus 50.2%, [45.0;55.9]; P<0.002) and from the second to the third examination (53.8%, [47.2;58.7] versus 50.2%, [45.0;55.9]; P<0.0002). The significant reduction in global longitudinal strain between the first 2 examinations with non-significant changes in right ventricular ejection fraction suggest that global longitudinal strain measured by 2-dimensional cardiovascular magnetic resonance feature tracking might be a superior technique for the detection of changes in myocardial function

Experimental and numerical investigations of the development of residual stresses in thermo-mechanically processed Cr-alloyed steel 1.3505

Residual stresses in components are a central issue in almost every manufacturing process, as they influence the performance of the final part. Regarding hot forming processes, there is a great potential for defining a targeted residual stress state, as many adjustment parameters, such as deformation state or temperature profile, are available that influence residual stresses. To ensure appropriate numerical modeling of residual stresses in hot forming processes, comprehensive material characterization and suitable multiscale Finite Element (FE) simulations are required. In this paper, experimental and numerical investigations of thermo-mechanically processed steel alloy 1.3505 (DIN 100Cr6) are presented that serve as a basis for further optimization of numerically modeled residual stresses. For this purpose, cylindrical upsetting tests at high temperature with subsequently cooling of the parts in the media air or water are carried out. Additionally, the process is simulated on the macroscale and compared to the results based on the experimental investigations. Therefore, the experimentally processed specimens are examined regarding the resulting microstructure, distortions, and residual stresses. For the investigation on a smaller scale, a numerical model is set up based on the state-data of the macroscopic simulation and experiments, simulating the transformation of the microstructure using phase-field theory and FE analysis on micro- and meso-scopic level