Automated multigravity assist trajectory planning with a modified ant colony algorithm

The paper presents an approach to transcribe a multigravity assist trajectory design problem into an integrated planning and scheduling problem. A modified Ant Colony Optimization (ACO) algorithm is then used to generate optimal plans corresponding to optimal sequences of gravity assists and deep space manoeuvers to reach a given destination. The modified Ant Colony Algorithm is based on a hybridization between standard ACO paradigms and a tabu-based heuristic. The scheduling algorithm is integrated into the trajectory model to provide a fast time-allocation of the events along the trajectory. The approach demonstrated to be very effective on a number of real trajectory design problems

Automated Trajectory Optimizer for Solar Sailing (ATOSS)

The problem of finding an optimal solar-sail trajectory must be solved by means of numerical methods, since no analytical, closed-form solutions exist. A new tool named ATOSS (Automated Trajectory Optimizer for Solar Sailing) has been developed for optimizing multi-phase solar-sail trajectories. A shape-based method for solar sailing and a two-stage approach for the optimization are the keys to the success of ATOSS, which operates with minimum inputs required to the user. Once the initial guess is generated by means of the shape-based method, the above mentioned two-stage approach works as follows. First, a solution to the optimal control problem at hand is sought; subsequently, the boundaries on the times are modified so that a better solution, in terms of total mission duration, is searched. Several numerical test cases are presented to demonstrate ATOSS' ability to automatically find optimal solar-sail trajectories for single- and multi-phase optimization problems. Moreover, the shape-based method for solar sailing has been validated as a viable method to produce initial guess solutions for a direct optimization algorithm

Assessment of Approximate Methods for Anharmonic Free Energies

Quantitative evaluations of the thermodynamic properties of materials – most notably their stability, as measured by the free energy – must take into account the role of thermal and zero-point energy fluctuations. While these effects can easily be estimated within a harmonic approximation, corrections arising from the anharmonic nature of the interatomic potential are often crucial and require computationally costly path integral simulations. Consequently, different approximate frameworks for computing affordable estimates of the anharmonic free energies have been developed over the years. Understanding which of the approximations involved are justified for a given system, and therefore choosing the most suitable method, is complicated by the lack of comparative benchmarks. To facilitate this choice we assess the accuracy and efficiency of some of the most commonly used approximate methods – the independent mode framework, the vibrational self-consistent field and self-consistent phonons – by comparing the anharmonic correction to the Helmholtz free energy against reference path integral calculations. These benchmarks are performed for a diverse set of systems, ranging from simple quasi-harmonic solids to flexible molecular crystals with freely-rotating units. Our results suggest that for simple solids such as allotropes of carbon these methods yield results that are in excellent agreement with the reference calculations, at a considerably lower computational cost. For more complex molecular systems such as polymorphs of ice and paracetamol the methods do not consistently provide a reliable approximation of the anharmonic correction. Despite substantial cancellation of errors when comparing the stability of different phases, we do not observe a systematic improvement over the harmonic approximation even for relative free-energies. Our results suggest that efforts towards obtaining computationally-feasible anharmonic free-energies for flexible molecular solids should therefore be directed towards reducing the expense of path integral methods

Perspective: How good is DFT for water?

Kohn-Sham density functional theory (DFT) has become established as an indispensable tool for investigating aqueous systems of all kinds, including those important in chemistry, surface science, biology and the earth sciences. Nevertheless, many widely used approximations for the exchange-correlation (XC) functional describe the properties of pure water systems with an accuracy that is not fully satisfactory. The explicit inclusion of dispersion interactions generally improves the description, but there remain large disagreements between the predictions of different dispersion-inclusive methods. We present here a review of DFT work on water clusters, ice structures and liquid water, with the aim of elucidating how the strengths and weaknesses of different XC approximations manifest themselves across this variety of water systems. Our review highlights the crucial role of dispersion in describing the delicate balance between compact and extended structures of many different water systems, including the liquid. By referring to a wide range of published work, we argue that the correct description of exchange-overlap interactions is also extremely important, so that the choice of semi-local or hybrid functional employed in dispersion-inclusive methods is crucial. The origins and consequences of beyond-2-body errors of approximate XC functionals are noted, and we also discuss the substantial differences between different representations of dispersion. We propose a simple numerical scoring system that rates the performance of different XC functionals in describing water systems, and we suggest possible future developments

The ghrelin paradox in the control of equine chondrocyte function: The good and the bad

Increasing evidence suggests a role for ghrelin in the control of articular inflammatory diseases like osteoarthritis (OA). In the present study we examined the ability of ghrelin to counteract LPS-induced necrosis and apoptosis of chondrocytes and the involvement of GH secretagogue receptor (GHS-R)1a in the protective action of ghrelin. The effects of ghrelin (10-7-10-11\u202fmol/L) on equine primary cultured chondrocytes viability and necrosis in basal conditions and under LPS treatment (100\u202fng/ml) were detected by using both acridine orange/propidium iodide staining and annexin-5/propidium iodide staining. The presence of GHS-R1a on chondrocytes was detected by Western Blot. The involvement of the GHS-R1a in the ghrelin effect against LPS-induced cytotoxicity was examined by pretreating chondrocytes with D-Lys3-GHRP-6, a specific GHS-R1a antagonist, and by using des-acyl ghrelin (DAG, 10-7and 10-9\u202fmol/L) which did not recognize the GHS-R 1a. Low ghrelin concentrations reduced chondrocyte viability whereas 10-7\u202fmol/L ghrelin protects against LPS-induced cellular damage. The protective effect of ghrelin depends on the interaction with the GHS-R1a since it is significantly reduced by D-Lys3-GHRP-6. The negative action of ghrelin involves caspase activation and could be due to an interaction with a GHS-R type different from the GHS-R1a recognized by both low ghrelin concentrations and DAG. DAG, in fact, induces a dose-dependent decrease in chondrocyte viability and exacerbates LPS-induced damage. These data indicate that ghrelin protects chondrocytes against LPS-induced damage via interaction with GHS-R1a and suggest the potential utility of local GHS-R1a agonist administration to treat articular inflammatory diseases such as OA

Impact-driven effects in thin-film growth: steering and transient mobility at the Ag(110) surface

Low-energy atomic impacts on the Ag(110) surface are investigated by molecular dynamics simulations based on reliable many-body semiempirical potentials. Trajectory deflections (steering) caused by the atom-surface interaction are observed, together with impact-following, transient-mobility effects. Such processes are quantitatively analysed and their dependence on the initial kinetic energy and on the impinging direction is discussed. A clear influence of the surface anisotropy on both steering and transient mobility effects is revealed by our simulations for the simple isolated-atom case and in the submonolayer-growth regime. For the latter case, we illustrate how steering and transient mobility affect the film morphology at the nanoscale.Comment: 7 pages, 9 figure

Generation of optimal trajectories for Earth hybrid pole sitters

A pole-sitter orbit is a closed path that is constantly above one of the Earth's poles, by means of continuous low thrust. This work proposes to hybridize solar sail propulsion and solar electric propulsion (SEP) on the same spacecraft, to enable such a pole-sitter orbit. Locally-optimal control laws are found with a semi-analytical inverse method, starting from a trajectory that satisfies the pole-sitter condition in the Sun-Earth circular restricted three-body problem. These solutions are subsequently used as first guess to find optimal orbits, using a direct method based on pseudospectral transcription. The orbital dynamics of both the pure SEP case and the hybrid case are investigated and compared. It is found that the hybrid spacecraft allows savings on propellant mass fraction. Finally, it is shown that for sufficiently long missions, a hybrid pole-sitter, based on mid-term technology, enables a consistent reduction in the launch mass for a given payload, with respect to a pure SEP spacecraft

Displaced geostationary orbit design using hybrid sail propulsion

Because of an increase in the number of geostationary spacecraft and the limits imposed by east–west spacing requirements, the geostationary orbit is becoming congested. To increase its capacity, this paper proposes to create new geostationary slots by displacing the geostationary orbit either out of or in the equatorial plane by means of hybrid solar sail and solar electric propulsion. To minimize propellant consumption, optimal steering laws for the solar sail and solar-electric-propulsion thrust vectors are derived and the performance in terms of mission lifetime is assessed. For comparison, similar analyses are performed for conventional propulsion, including impulsive and pure solar electric propulsion. It is shown that hybrid sails outperform these propulsion techniques and that out-of-plane displacements outperform in-plane displacements. The out-of-plane case is therefore further investigated in a spacecraft mass budget to determine the payload mass capacity. Finally, two transfers that enable a further improvement of the performance of hybrid sails for the out-of-plane case are optimized using a direct pseudospectral method: a seasonal transit between orbits displaced above and below the equatorial plane and a transit to a parking orbit when geostationary coverage is not needed. Both transfers are shown to require only a modest propellant budget, outweighing the improvements they can establish

Deciphering species-specific pollen tube guidance in Solanum

Small, secreted cysteine-rich proteins (CRPs)combine a highly stable cysteine spacing,ensuring conservation of their 3D structure andfunction, and hypervariable inter-cysteine blocks, allowing quick evolution of specific recognition domains. Interestingly, several CRPs were shown to control key pollen-pistil interactions in aspecies-specific way. The most emblematicexample is perhaps the LURE defensin-likefamily, controlling directional guidance of pollentubes (PTs) in Torenia and Arabidopsis.We chose wild potatoes (Solanum sect. Petota) asa case study to investigate the impact of rapidCRP divergence in plant speciation. Gathering ~200 close species with overlapping distribution areas, this taxon indeed exhibits strong reproductive isolation. Lab-on-a-chipmicrofluidic experiments carried out on 4 species show that species-preferential PT attraction is a key factor in this isolation. We suspect polymorphic CRPs to control this attraction. High-throughput sequencing technologies were applied to profile the ovule secretome as well as the reproductive transcriptomes of our 4 speciesof interest. To screen out candidate genes, we developped KAPPA, a sequence search algorithm specifically dedicated to CRPs, and obtained a set of 32 defensin-like groups expressed in ovules. Five promising chemoattractant candidates exhibiting (i) ovule-specific expression, (ii) down-regulation in guidance-defective ovules, and (iii) interspecific divergence were selectedfor further characterization. They are currently being investigated with on-gel assays and specific microfluidic devices tailored for Solanum PTs. This study will lead to a better understanding of CRP-mediated PT chemoattraction as one of the major species-specificity checkpoints that mustbe unlocked by pollen tubes in the pistil.Fil: Joly, V.. Institut de Recherche En Biologie Végétale; CanadáFil: Viallet, C.. Institut de Recherche En Biologie Végétale; CanadáFil: Liu, Y.. Institut de Recherche En Biologie Végétale; CanadáFil: Zaro, A.. Universidad de Barcelona; EspañaFil: Ceriotti, Luis Federico. Universidad Nacional de Cuyo. Facultad de Ciencias Exactas y Naturales; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza. Instituto de Biología Agrícola de Mendoza. Universidad Nacional de Cuyo. Facultad de Ciencias Agrarias. Instituto de Biología Agrícola de Mendoza; ArgentinaFil: Matton, D. P.. Institut de Recherche En Biologie Végétale; CanadáEastern Regional MeetingMontrealCanadáCanadian Society of Plant BiologistsMcGill Universit

Effects of deposition dynamics on epitaxial growth

The dynamic effects, such as the steering and the screening effects during deposition, on an epitaxial growth (Cu/Cu(001)), is studied by kinetic Monte Carlo simulation that incorporates molecular dynamic simulation to rigorously take the interaction of the deposited atom with the substrate atoms into account. We find three characteristic features of the surface morphology developed by grazing angle deposition: (1) enhanced surface roughness, (2) asymmetric mound, and (3) asymmetric slopes of mound sides. Regarding their dependence on both deposition angle and substrate temperature, a reasonable agreement of the simulated results with the previous experimental ones is found. The characteristic growth features by grazing angle deposition are mainly caused by the inhomogeneous deposition flux due to the steering and screening effects, where the steering effects play the major role rather than the screening effects. Newly observed in the present simulation is that the side of mound in each direction is composed of various facets instead of all being in one selected mound angle even if the slope selection is attained, and that the slope selection does not necessarily mean the facet selection.Comment: 9 pages, 10 figure