| 1. |
- Badeck, FW, et al.
(författare)
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Tree species composition in European pristine forests
- 2001
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Ingår i: Climatic Change. - 0165-0009. ; 51:3-4, s. 307-347
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Tidskriftsartikel (refereegranskat)abstract
- The degree of general applicability across Europe currently achieved with several forest succession models is assessed, data needs and steps for further model development are identified and the role physiology based models can play in this process is evaluated. To this end, six forest succession models (DISCFORM, ForClim, FORSKA-M, GUESS, PICUS v1.2, SIERRA) are applied to simulate stand structure and species composition at 5 European pristine forest sites in different climatic regions. The models are initialized with site-specific soil information and driven with climate data from nearby weather stations. Predicted species composition and stand structure are compared to inventory data. Similarity and dissimilarity in the model results under current climatic conditions as well as the predicted responses to six climate change scenarios are discussed. All models produce good results in the prediction of the right tree functional types. In about half the cases, the dominating species are predicted correctly under the current climate. Where deviations occur, they often represent a shift of the species spectrum towards more drought tolerant species. Results for climate change scenarios indicate temperature driven changes in the alpine elevational vegetation belts at humid sites and a high sensitivity of forest composition and biomass of boreal and temperate deciduous forests to changes in precipitation as mediated by summer drought. Restricted generality of the models is found insofar as models originally developed for alpine conditions clearly perform better at alpine sites than at boreal sites, and vice versa. We conclude that both the models and the input data need to be improved before the models can be used for a robust evaluation of forest dynamics under climate change scenarios across Europe. Recommendations for model improvements, further model testing and the use of physiology based succession models are made.
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| 2. |
- Céolin, A, et al.
(författare)
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Study of the Dissociation of Nitrous Oxide Following Resonant Excitation of the Nitrogen and Oxygen K-shells
- 2008
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Ingår i: Journal of Chemical Physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 128:2, s. 024306-
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Tidskriftsartikel (refereegranskat)abstract
- A photochemistry study on nitrous oxide making use of site-selective excitation of terminal nitrogen, central nitrogen, and oxygen 1s -> 3 pi excitations is presented. The resonant Auger decay which takes place following excitation can lead to dissociation of the N2O+ ion. To elucidate the nuclear dynamics, energy-resolved Auger electrons were detected in coincidence with the ionic dissociation products, and a strong dependence of the fragmentation pathways on the core-hole site was observed in the binding energy region of the first satellite states. A description based on the molecular orbitals as well as the correlation between the thermodynamical thresholds of ion formation and the first electronic states of N2O+ has been used to qualitatively explain the observed fragmentation patterns.
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| 3. |
- Mooij, Wolf M., et al.
(författare)
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Serving many at once : How a database approach can create unity in dynamical ecosystem modelling
- 2014
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Ingår i: Environmental Modelling & Software. - : Elsevier BV. - 1364-8152 .- 1873-6726. ; 61, s. 266-273
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Tidskriftsartikel (refereegranskat)abstract
- Simulation modelling in ecology is a field that is becoming increasingly compartmentalized. Here we propose a Database Approach To Modelling (DATM) to create unity in dynamical ecosystem modelling with differential equations. In this approach the storage of ecological knowledge is independent of the language and platform in which the model will be run. To create an instance of the model, the information in the database is translated and augmented with the language and platform specifics. This process is automated so that a new instance can be created each time the database is updated. We describe the approach using the simple Lotka-Volterra model and the complex ecosystem model for shallow lakes PCLake, which we automatically implement in the frameworks OSIRIS, GRIND for MATLAB, ACSL, R, DUFLOW and DELWAQ. A clear advantage of working in a database is the overview it provides. The simplicity of the approach only adds to its elegance.
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| 4. |
- Piancastelli, Maria Novella, et al.
(författare)
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A High-resolution Study of Resonant Auger Decay Processes in N2O After Core Electron Excitation from Terminal Nitrogen, Central Nitrogen and Oxygen Atoms to the 3π LUMO
- 2007
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Ingår i: Journal of Physics B. - : IOP Publishing. - 0953-4075 .- 1361-6455. ; 40:17, s. 3357-3365
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Tidskriftsartikel (refereegranskat)abstract
- Decay spectra of N2O following excitation to the N terminal (Nt) → π*, N central (Nc) → π* and O is → π* intermediate states are reported. The final states reached after participator decay show resonant enhancement consistent with a local-density-of-states analysis based on the Mulliken population of the valence molecular orbitals. In particular, the X-state is resonantly enhanced mostly after excitation from the Nt 1s and the O Is core levels to the π*, while the B-state is mostly enhanced following the excitation of the Nc Is → π* intermediate state. Below the Nt Is threshold, the lowest lying peak related to spectator decay falls at lower binding energy than the highest lying participator peak. This can be attributed to a particularly strong screening effect exerted by the excited electron in the LUMO.
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| 5. |
- Piancastelli, Maria Novella, et al.
(författare)
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Electronic Structure of Core-excited and Core-ionized Methyl Oxirane
- 2007
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Ingår i: Journal of Electron Spectroscopy and Related Phenomena. - : Elsevier BV. - 0368-2048 .- 1873-2526. ; 156, s. 259-264
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Tidskriftsartikel (refereegranskat)abstract
- We report a detailed analysis of the electronic structure of methyl oxirane, including core-level photoelectron spectroscopy, X-ray absorption at both C and O K-shells, resonant Auger and normal Auger spectroscopy. The X-ray absorption spectra (XAS) around the C K-edge can be easily interpreted on the ground of the chemical shift between the carbon atoms with different chemical environments. The X-ray absorption data around the O K-edge are quite structureless, hinting for a likely fragmentation process (possibly implying a ring-opening reaction). In resonant Auger spectra obtained after excitation below both the C 1s and O 1s ionization thresholds we notice a predominance of spectator decay implying a strong mixing between empty molecular orbitals and Rydberg states.
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| 6. |
- Travnikova, Oksana, et al.
(författare)
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Selective vibrational excitation in the resonant Auger decay following core-to-pi transitions in N2O
- 2010
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Ingår i: Journal of Electron Spectroscopy and Related Phenomena. - : Elsevier BV. - 0368-2048 .- 1873-2526. ; 181:2-3, s. 129-134
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Tidskriftsartikel (refereegranskat)abstract
- In N2O a detailed study of the vibrational distribution of the (X) over tilde state reached after decay of core-to-pi* excitation of N terminal, N central and 0 1s core levels is reported. We observe a change in the relative intensity of bending versus stretching modes while scanning the photon energy across all three resonances. While this effect is known to be due to the Renner-Teller splitting in the core-excited states, we could derive that the antisymmetric stretching is excited mainly in the decay of the N terminal 1s-to-pi* excitation. An explanation for such selectivity is provided in terms of interplay of vibrational structure on potential energy surfaces of different electronic states involved in the process.
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| 7. |
- van Gerven, Luuk P. A., et al.
(författare)
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Advantages of concurrent use of multiple software frameworks in water quality modelling using a database approach
- 2015
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Ingår i: Fundamental and Applied Limnology. - : Schweizerbart. - 1863-9135. ; 186:1-2, s. 5-20
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Tidskriftsartikel (refereegranskat)abstract
- Water quality modelling deals with multidisciplinary questions ranging from fundamental to applied. Addressing this broad range of questions requires multiple analysis techniques and therefore multiple frameworks. Through the recently developed database approach to modelling (DATM), it has become possible to run a model in multiple software frameworks without much overhead. Here we apply DATM to the ecosystem model for ditches PCDitch and its twin model for shallow lakes PCLake. Using DATM, we run these models in six frameworks (ACSL, DELWAQ, DUFLOW, GRIND for MATLAB, OSIRIS and R), and report on the possible model analyses with tools provided by each framework. We conclude that the dynamic link between frameworks and models resulting from DATM has the following main advantages: it allows one to use the framework one is familiar with for most model analyses and eases switching between frameworks for complementary model analyses, including the switch between a 0-D and 1-D to 3-D setting. Moreover, the strength of each framework - including runtime performance - can now be easily exploited. We envision that a community-based further development of the concept can contribute to the future development of water quality modelling, not only by addressing multidisciplinary questions but also by facilitating the exchange of models and process formulations within the community of water quality modellers.
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| 8. |
- Liu, X. J., et al.
(författare)
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Young's double-slit experiment using core-level photoemission from N-2 : revisiting Cohen-Fano's two-centre interference phenomenon
- 2006
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Ingår i: Journal of Physics B. - : IOP Publishing. - 0953-4075 .- 1361-6455. ; 39:23, s. 4801-4817
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Tidskriftsartikel (refereegranskat)abstract
- The core-level photoelectron spectra of N-2 molecules are observed at high energy resolution, resolving the 1 sigma(g) and 1 sigma(u) components as well as the vibrational components in the extended energy region from the threshold up to 1 keV. The sigma(g)/sigma(u) cross section ratios display modulation as a function of photoelectron momentum due to the two-centre interference, analogous to the classical Young's double-slit experiment, as predicted by Cohen and Fano a long time ago. The Cohen-Fano interference modulations display different phases depending on the vibrational excitations in the core-ionized state. Extensive ab initio calculations have been performed within the Hartree-Fock and random phase approximations in prolate spheroidal coordinates. The dependence of photoionization amplitudes on the vibrational states was taken into account using the Born-Oppenheimer approximation. The ab initio results are in reasonable agreement with the experimental data. The theoretical analysis allows the modulation to be connected with the onset of transitions to the states of increasing orbital angular momentum which occurs at increasing photon energies. Deviation from the Cohen-Fano formula is found for both the experimental and the ab initio results and is attributed to electron scattering by the neighbouring atom. A new formula for the interference modulation is derived within the framework of the multiple scattering technique. It differs from the classical Cohen-Fano formula by the addition of twice the scattering phase of the photoelectron by the neighbouring atom. We demonstrate that one can measure directly the scattering phase by fitting our formula to the experimental results.
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