Effects of cropping practice dynamics on permanent grassland vegetation during the conversion to organic farming

The aim of this work was to identify the impact of farming practices on permanent grassland vegetation during the conversion from conventional to organic farming. We considered functional and species diversities in order to compare the different grassland categories based on the farming practices used over a period of six years - five years before conversion and one year after. We identified three categories of grasslands: those generally cut twice a year, those intensely grazed, and those that were used under diversified practices. We showed that grasslands characterised by cutting and low fertilization level have the highest species richness compared to the other two categories (23.2, 16.9 and 17 species, respectively), and the lowest pastoral index (45.9, 66.8 and 68.6, respectively). These cut paddocks also presented the highest functional diversity (i.e., richness of functional property attributes) for two of the properties studied: means of dispersal and establishment strategy as defined by Grime. Grasslands with diversified practices (grazing, cutting and nitrogen supply) were not characterised by any single or combined functional property attribute, to the contrary of the two other categories. Finally, farming practices alone do not explain all of the differences in vegetation. We therefore hypothesize that, first, the dynamics of permanent grassland vegetation following conversion to organic farming is only initiated by agricultural practices and, second, other key factors such as landscape characteristics affect these dynamics

Sub-femtosecond stark control of molecular photoexcitation with near single-cycle pulses.

Electric fields can tailor molecular potential energy surfaces by interaction with the electronic state-dependent molecular dipole moment. Recent developments in optics have enabled the creation of ultra-short few-cycle optical pulses with precise control of the carrier envelope phase (CEP) that determines the offset of the maxima in the field and the pulse envelope. This opens news ways of controlling ultrafast molecular dynamics by exploiting the CEP. In this work, we show that the photoabsorption efficiency of oriented H2CSO (sulfine) can be controlled by tuning the CEP. We further show that this control emanates from a resonance condition related to Stark shifting of the electronic energy levels

Computational benchmarking for ultrafast electron dynamics: wavefunction methods vs density functional theory

Attosecond electron dynamics in small- and medium-sized molecules, induced by an ultrashort strong optical pulse, is studied computationally for a frozen nuclear geometry. The importance of exchange and correlation effects on the nonequilibrium electron dynamics induced by the interaction of the molecule with the strong optical pulse is analyzed by comparing the solution of the time-dependent Schrodinger equation based on the correlated field-free stationary electronic states computed with the equation-of-motion coupled cluster singles and doubles and the complete active space multi-configurational self-consistent field methodologies on one hand, and various functionals in real-time time-dependent density functional theory (TD-DFT) on the other. We aim to evaluate the performance of the latter approach, which is very widely used for nonlinear absorption processes and whose computational cost has a more favorable scaling with the system size. We focus on LiH as a toy model for a nontrivial molecule and show that our conclusions carry over to larger molecules, exemplified by ABCU (C10H19N). The molecules are probed with IR and UV pulses whose intensities are not strong enough to significantly ionize the system. By comparing the evolution of the time-dependent field-free electronic dipole moment, as well as its Fourier power spectrum, we show that TD-DFT performs qualitatively well in most cases. Contrary to previous studies, we find almost no changes in the TD-DFT excitation energies when excited states are populated. Transitions between states of different symmetries are induced using pulses polarized in different directions. We observe that the performance of TD-DFT does not depend on the symmetry of the states involved in the transition.Belgian Fonds National de la Recherche Collective through project number 2.4545.12 “Control of attosecond dynamics: applications to molecular reactivity

Strongly Temperature Dependent Sliding Friction for a Superconducting Interface

A sudden drop in mechanical friction, between an adsorbed nitrogen monolayer and a lead substrate, occurs when the lead passes through the superconducting transition temperature. We attribute this effect to a sudden drop at the superconducting transition temperature of the substrate Ohmic heating. The Ohmic heating is due to the electronic screening current that results from the sliding adsorbed film.Comment: Revte

Net Charge on a Noble Gas Atom Adsorbed on a Metallic Surface

Adsorbed noble gas atoms donate (on the average) a fraction of an electronic charge to the substrate metal. The effect has been experimentally observed as an adsorptive change in the electronic work function. The connection between the effective net atomic charge and the binding energy of the atom to the metal is theoretically explored.Comment: ReVvTeX 3.1 format, Two Figures, Three Table

Maximum Amplification of Blade Response Due to Mistuning: Localization and Mode Shape Aspects of the Worst Disks,”

ABSTRACT This paper focuses on the determination and study of the maximum amplification of the steady state forced response of bladed disks due to mistuning. First, an optimization strategy is proposed in which partially mistuned bladed disks are considered as physical approximations of the worst case disk and the mistuned properties are sought to maximize the response of a specific blade. This approach is exemplified on both a reduced order model of a blisk and a singledegree-of-freedom per blade disk model an extensive parametric study of which is conducted with respect to blade-to-blade coupling, damping, and engine order. A mode shape-based formulation of the amplification factor is then developed to clarify the findings of the parametric study in the strong coupling/small damping limit. In this process, the upper bound of Whitehead is recovered for all engine orders and number of blades and the conditions under which this limit is exactly achieved or closely approached are clarified. This process also uncovers a simple yet reliable approximation of the resonant mode shapes and natural frequencies of the worst disk

Assessing the agro-environmental sustainability of organic mixed-crop dairy systems on the basis of a multivariate approach

Sustainable development calls upon the farming sector to commit itself to the transmission of natural resources to future generations. The INRA research team of Mirecourt studies the design of environmentally-friendly farming systems. The design of these systems is based on a multitude of objectives, and their evaluation is determined by a wide range of criteria. This work aims at determining the practical conditions for implementing agricultural systems considered to be sustainable from an environmental point of view. Two organic dairy systems considered to be environmentally friendly ex ante have been designed in partnership with the staff of the INRA research team of Mirecourt. A grazing dairy system and a mixed-crop dairy system are being experimentally tested at the system scale. The two systems have environmental and agricultural objectives. They are managed using multi-objective decision rules and are assessed on their biotechnical and practical properties, using a structured multiyear experimental design, completed by a model-based assessment. Assessment is oriented towards progressive and permanent re-designing of the systems in order to increase their environmental sustainability and feasibility at the practical level. Knowledge acquired from the two prototypes will then have to be validated on commercial farms

Low-lying, Rydberg states of polycyclic aromatic hydrocarbons (PAHs) and cyclic alkanes

TD-DFT calculations of low-lying, Rydberg states of a series of polycyclic hydrocarbons and cyclic alkanes are presented. Systematic variations in binding energies and photoelectron angular distributions for the first members of the s, p and d Rydberg series are predicted for increasing molecular complexity. Calculated binding energies are found to be in very good agreement with literature values where they exist for comparison. Experimental angle-resolved photoelectron spectroscopy results are presented for coronene, again showing very good agreement with theoretical predictions of binding energies and also for photoelectron angular distributions. The Dyson orbitals for the small "hollow" carbon structures, cubane, adamantane and dodecahedrane, are shown to have close similarities to atomic s, p and d orbitals, similar to the superatom molecular orbitals (SAMOs) reported for fullerenes, indicating that these low-lying, diffuse states are not restricted to π-conjugated molecules. © 2017 the Owner Societies

Angle-Resolved Photoelectron Spectroscopy and Scanning Tunnelling Spectroscopy Studies of the Endohedral Fullerene Li@C60

M. S., E. B., J. O. F. T. and E. E. B. C. gratefully acknowledge financial support from the Leverhulme Foundation (RPF-298 “PES of hollow nanomaterials”). M. S. and H. J. C. acknowledge the financial support of EPSRC DTP studentships (EP/M508214/1 and EP/N509644/1). R. S. acknowledges financial support from the Scottish Funding Council through SRD-Grant (HRO7003). The work of FR and BM is supported by the Fonds de la Recherche Fondamentale Collective (#T.0132.16 and J.0012.18) and by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (BES) under Award # DE-SC0012628. BM and FR thank the Fonds National de la Recherche (FRS.FNRS, Belgium) for its support. Computational resources were provided by Consortium des équipements de calcul intensif (CECI, FNRS 2.5020.11).Gas phase photoelectron spectroscopy (Rydberg Fingerprint Spectroscopy), TDDFT calculations and low temperature STM studies are combined to provide detailed information on the properties of the diffuse, low-lying Rydberg-like SAMO states of isolated Li@C60 endohedral fullerenes. The presence of the encapsulated Li is shown by the calculations to produce a significant distortion of the lowest-lying S- and P-SAMOs that is dependent on the position of the Li inside the fullerene cage. Under the high temperature conditions of the gas phase experiments, the Li is mobile and able to access different positions within the cage. This is accounted for in the comparison with theory that shows a very good agreement of the photoelectron angular distributions, allowing the symmetry of the observed SAMO states to be identified. When adsorbed on a metal substrate at low temperature, a strong interaction between the low-lying SAMOs and the metal substrate moves these states to energies much closer to the Fermi energy compared to the situation for empty C60 while the Li remains frozen in an off-centre position.Publisher PDFPeer reviewe