Laboratory observations and simulations of phase reddening

The visible reflectance spectrum of many Solar System bodies changes with changing viewing geometry for reasons not fully understood. It is often observed to redden (increasing spectral slope) with increasing solar phase angle, an effect known as phase reddening. Only once, in an observation of the martian surface by the Viking 1 lander, was reddening observed up to a certain phase angle with bluing beyond, making the reflectance ratio as a function of phase angle shaped like an arch. However, in laboratory experiments this arch-shape is frequently encountered. To investigate this, we measured the bidirectional reflectance of particulate samples of several common rock types in the 400–1000 nm wavelength range and performed ray-tracing simulations. We confirm the occurrence of the arch for surfaces that are forward scattering, i.e. are composed of semi-transparent particles and are smooth on the scale of the particles, and for which the reflectance increases from the lower to the higher wavelength in the reflectance ratio. The arch shape is reproduced by the simulations, which assume a smooth surface. However, surface roughness on the scale of the particles, such as the Hapke and van Horn (Hapke, B., van Horn, H. [1963]. J. Geophys. Res. 68, 4545–4570) fairy castles that can spontaneously form when sprinkling a fine powder, leads to monotonic reddening. A further consequence of this form of microscopic roughness (being indistinct without the use of a microscope) is a flattening of the disk function at visible wavelengths, i.e. Lommel–Seeliger-type scattering. The experiments further reveal monotonic reddening for reflectance ratios at near-IR wavelengths. The simulations fail to reproduce this particular reddening, and we suspect that it results from roughness on the surface of the particles. Given that the regolith of atmosphereless Solar System bodies is composed of small particles, our results indicate that the prevalence of monotonic reddening and Lommel–Seeliger-type scattering for these bodies results from microscopic roughness, both in the form of structures built by the particles and roughness on the surface of the particles themselves. It follows from the singular Viking 1 observation that the surface in front of the lander was composed of semi-transparent particles, and was smooth on the scale of the particle size.

Review of recent results using computational fluid dynamics simulations in patients receiving mechanical assist devices for end-stage heart failure

Many end-stage heart failure patients are not eligible to undergo heart transplantation due to organ shortage, and even those under consideration for transplantation might suffer long waiting periods. A better understanding of the hemodynamic impact of left ventricular assist devices (LVAD) on the cardiovascular system is therefore of great interest. Computational fluid dynamics (CFD) simulations give the opportunity to study the hemodynamics in this patient population using clinical imaging data such as computed tomographic angiography. This article reviews a recent study series involving patients with pulsatile and constant-flow LVAD devices in which CFD simulations were used to qualitatively and quantitatively assess blood flow dynamics in the thoracic aorta, demonstrating its potential to enhance the information available from medical imaging.

FEM/FD Immersed Boundary FSI Simulations

Immersed boundary simulations have been under development for physiological flows, allowing for elegant handling of fluid-structure interaction modelling with large deformations due to retained domain-specific meshing. We couple a structural system in Lagrangian representation that is formulated in a weak form with a Navier-Stokes system discretized through a finite differences scheme. We build upon a proven highly scalable imcompressible flow solver that we extend to handle FSI. We aim at applying our method to investigating the hemodynamics of Aortic Valves. The code is going to be extended to conform to the new hybrid-node supercomputers.

Mechanisms of recognition and binding of α-TTP to the plasma membrane by multi-scale molecular dynamics simulations

We used multiple sets of simulations both at the atomistic and coarse-grained level of resolution to investigate interaction and binding of α-tochoperol transfer protein (α-TTP) to phosphatidylinositol phosphate lipids (PIPs). Our calculations indicate that enrichment of membranes with such lipids facilitate membrane anchoring. Atomistic models suggest that PIP can be incorporated into the binding cavity of α-TTP and therefore confirm that such protein can work as lipid exchanger between the endosome and the plasma membrane. Comparison of the atomistic models of the α-TTP-PIPs complex with membrane-bound α-TTP revealed different roles for the various basic residues composing the basic patch that is key for the protein/ligand interaction. Such residues are of critical importance as several point mutations at their position lead to severe forms of ataxia with vitamin E deficiency (AVED) phenotypes. Specifically, R221 is main residue responsible for the stabilization of the complex. R68 and R192 exchange strong interactions in the protein or in the membrane complex only, suggesting that the two residues alternate contact formation, thus facilitating lipid flipping from the membrane into the protein cavity during the lipid exchange process. Finally, R59 shows weaker interactions with PIPs anyway with a clear preference for specific phosphorylation positions, hinting a role in early membrane selectivity for the protein. Altogether, our simulations reveal significant aspects at the atomistic scale of interactions of α-TTP with the plasma membrane and with PIP, providing clarifications on the mechanism of intracellular vitamin E trafficking and helping establishing the role of key residue for the functionality of α-TTP.

Supersymmetric quantum mechanics on the lattice: III. Simulations and algorithms

In the fermion loop formulation the contributions to the partition function naturally separate into topological equivalence classes with a definite sign. This separation forms the basis for an efficient fermion simulation algorithm using a fluctuating open fermion string. It guarantees sufficient tunnelling between the topological sectors, and hence provides a solution to the fermion sign problem affecting systems with broken supersymmetry. Moreover, the algorithm shows no critical slowing down even in the massless limit and can hence handle the massless Goldstino mode emerging in the supersymmetry broken phase. In this paper – the third in a series of three – we present the details of the simulation algorithm and demonstrate its efficiency by means of a few examples.

Antarctic temperature changes during the last millennium: evaluation of simulations and reconstructions

Temperature changes in Antarctica over the last millennium are investigated using proxy records, a set of simulations driven by natural and anthropogenic forcings and one simulation with data assimilation. Over Antarctica, a long term cooling trend in annual mean is simulated during the period 1000–1850. The main contributor to this cooling trend is the volcanic forcing, astronomical forcing playing a dominant role at seasonal timescale. Since 1850, all the models produce an Antarctic warming in response to the increase in greenhouse gas concentrations. We present a composite of Antarctic temperature, calculated by averaging seven temperature records derived from isotope measurements in ice cores. This simple approach is supported by the coherency displayed between model results at these data grid points and Antarctic mean temperature. The composite shows a weak multi-centennial cooling trend during the pre-industrial period and a warming after 1850 that is broadly consistent with model results. In both data and simulations, large regional variations are superimposed on this common signal, at decadal to centennial timescales. The model results appear spatially more consistent than ice core records. We conclude that more records are needed to resolve the complex spatial distribution of Antarctic temperature variations during the last millennium.

Untangling a Holocene pollen record with forest model simulations and independent climate data

Adaptation potential of forests to rapid climatic changes can be assessed from vegetation dynamics during past climatic changes as preserved in fossil pollen data. However, pollen data reflect the integrated effects of climate and biotic processes, such as establishment, survival, competition, and migration. To disentangle these processes, we compared an annually laminated late Würm and Holocene pollen record from the Central Swiss Plateau with simulations of a dynamic forest patch model. All input data used in the simulations were largely independent from pollen data; i.e. the presented analysis is non-circular. Temperature and precipitation scenarios were based on reconstructions from pollen-independent sources. The earliest arrival times of the species at the study site after the last glacial were inferred from pollen maps. We ran a series of simulations under different combinations of climate and immigration scenarios. In addition, the sensitivity of the simulated presence/absence of four major species to changes in the climate scenario was examined. The pattern of the pollen record could partly be explained by the used climate scenario, mostly by temperature. However, some features, in particular the absence of most species during the late Würm could only be simulated if the winter temperature anomalies of the used scenario were decreased considerably. Consequently, we had to assume in the simulations, that most species immigrated during or after the Younger Dryas (12 000 years BP), Abies and Fagus even later. Given the timing of tree species immigration, the vegetation was in equilibrium with climate during long periods, but responded with lags at the time-scale of centuries to millennia caused by a secondary succession after rapid climatic changes such as at the end of Younger Dryas, or immigration of dominant taxa. Climate influenced the tree taxa both directly and indirectly by changing inter-specific competition. We concluded, that also during the present fast climatic change, species migration might be an important process, particularly if geographic barriers, such as the Alps are in the migrational path.

Effects of climate, fire, and humans on forest dynamics: forest simulations compared to the palaeological record

In order to find out which factors influenced the forest dynamics in northern Italy during the Holocene, a palaeoecological approach involving pollen analysis was combined with ecosystem modelling. The dynamic and distribution based forest model DisCForm was run with different input scenarios for climate, species immigration, fire, and human impact and the similarity of the simulations with the original pollen record was assessed. From the comparisons of the model output and the pollen core, it appears that immigration was most important in the first part of the Holocene, and that fire and human activity had a major influence in the second half. Species not well represented in the simulation outputs are species with a higher abundance in the past than today (Corylus), with their habitat in riparian forests (Alnus) or with a strong response to human impact (Castanea).

Self-consistent multifluid MHD simulations of Europa's exospheric interaction with Jupiter's magnetosphere

The Jovian moon, Europa, hosts a thin neutral gas atmosphere, which is tightly coupled to Jupiter's magnetosphere. Magnetospheric ions impacting the surface sputter off neutral atoms, which, upon ionization, carry currents that modify the magnetic field around the moon. The magnetic field in the plasma is also affected by Europa's induced magnetic field. In this paper we investigate the environment of Europa using our multifluid MHD model and focus on the effects introduced by both the magnetospheric and the pickup ion populations. The model self-consistently derives the electron temperature that governs the electron impact ionization process, which is the major source of ionization in this environment. The resulting magnetic field is compared to measurements performed by the Galileo magnetometer, the bulk properties of the modeled thermal plasma population is compared to the Galileo Plasma Subsystem observations, and the modeled surface precipitation fluxes are compared to Galileo Ultraviolet Spectrometer observations. The model shows good agreement with the measured magnetic field and reproduces the basic features of the plasma interaction observed at the moon for both the E4 and the E26 flybys of the Galileo spacecraft. The simulation also produces perturbations asymmetric about the flow direction that account for observed asymmetries.

Nonlinear quasi-static finite element simulations predict in vitro strength of human proximal femora assessed in a dynamic sideways fall setup

Osteoporotic proximal femur fractures are caused by low energy trauma, typically when falling on the hip from standing height. Finite element simulations, widely used to predict the fracture load of femora in fall, usually include neither mass-related inertial effects, nor the viscous part of bone's material behavior. The aim of this study was to elucidate if quasi-static non-linear homogenized finite element analyses can predict in vitro mechanical properties of proximal femora assessed in dynamic drop tower experiments. The case-specific numerical models of thirteen femora predicted the strength (R2=0.84, SEE=540 N, 16.2%), stiffness (R2=0.82, SEE=233 N/mm, 18.0%) and fracture energy (R2=0.72, SEE=3.85 J, 39.6%); and provided fair qualitative matches with the fracture patterns. The influence of material anisotropy was negligible for all predictions. These results suggest that quasi-static homogenized finite element analysis may be used to predict mechanical properties of proximal femora in the dynamic sideways fall situation.