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Schwerpunktprogramm (SPP) 1488: Planetary Magnetism (PlanetMag), Structure and electronic transport properties of metallic liquids at conditions of planetary cores

Electrical conductivity is a key parameter in models of magnetic field generation in planetary interiors through magneto-hydrodynamic convection. Measurements of this key material parameter of liquid metals is not possible to date by experiments at relevant conditions, and dynamo models rely on extrapolations from low pressure/temperature experiments, or more recently on ab-initio calculations combining molecular dynamics and linear response calculations, using the Kubo-Greenwood formulation of transport coefficients. Such calculations have been performed for Fe, Fe-alloys, H, He and H-He mixtures to cover the interior of terrestrial and giant gas planets. These simulations are computationally expensive, and an efficient accurate scheme to determine electrical conductivities is desirable. Here we propose a model that can, at much lower computational costs, provide this information. It is based on Ziman theory of electrical conductivity that uses information on the liquid structure, combined with an internally consistent model of potentials for the electron-electron, electron-atom, and atom-atom interactions. In the proposal we formulate the theory and expand it to multi-component systems. We point out that fitting the liquid structure factor is the critical component in the process, and devise strategies on how this can be done efficiently. Fitting the structure factor in a thermodynamically consistent way and having a transferable electron-atom potential we can then relatively cheaply predict the electrical conductivity for a wide range of conditions. Only limited molecular dynamics simulations to obtain the structure factors are required.In the proposed project we will test and advance this model for liquid aluminum, a free-electron like metal, that we have studied with the Kubo-Greenwood method previously. We will then be able to predict the conductivities of Fe, Fe-light elements and H, He, as well as the H-He system that are relevant to the planetary interiors of terrestrial and giant gas planets, respectively.

Schwerpunktprogramm (SPP) 1315: Biogeochemische Grenzflächen in Böden; Biogeochemical Interfaces in Soil, Imaging and image simulation of organic target compound migration between different biogeochemical interfaces of a soil horizon using positron emission tomography and the lattice Boltzmann equation approach

We propose to use positron emission tomography (PET) for imaging of tracer migration in a soil horizon, to be coupled with image simulation using the lattice Boltzmann equation (LBE) modeling approach. PET enables direct visualization of inert KF or KBr solute migration at the soil horizon scale, but also reactive halogenated organic target (2,4-D and MCPA) compound migration down to nM concentrations once radiolabelling with 18F or 76Br marker is achieved. Retardation at biogeochemical interfaces with different sorption properties will thus be imaged in-situ. Theoretical image simulation for process verification will be enabled by introducing a multi-grid approach and additional kinetic boundary conditions in the parallelized LBE solver. As a boundary condition for the latter, the real pore scale and distribution of biogeochemical interfaces will be derived by X-ray computer-tomography (XCT) down to 300 nm spatial voxel resolution. The aim is to produce by both approaches velocity field movies due to heterogeneous biogeochemical retardation of the target compounds with high resolution in both the spatial and temporal scale (4D).

Soil colour spectra of prehistoric pit fillings as a new analytical tool to measure changing soil characteristics over time on a regional scale

Prehistoric pits are filled with ancient topsoil material, which has been preserved there over millennia. A characteristic of these pit fillings is that their colour is different depending on the time the soil material was relocated. Soil colour is the result of soil forming processes and soil properties, and it could therefore indicate the soil characteristics present during that specific period. To the best of our knowledge, no investigation analysed and explained the reasons for these soil colour changes over time. The proposed project will investigate soil parameters from pit fillings of different archaeological periods in the loess area of the Lower Rhine Basin (NW-Germany). It aims to implement the measurement of colour spectra as a novel analytical tool for the rapid analyses of a high number of soil samples: the main goal is to relate highresolution colour data measured by a spectrophotometer to soil parameters that were analysed by conventional pedogenic methods and by mid infrared spectroscopy (MIRS), with a main focus on charred organic matter (BPCAs). This tool would enable us to quantify the variation of soil properties over a timescale of several millennia, during different prehistoric periods at regional scale and for loess soils in general. Detailed information concerning changing soil properties on a regional scale is necessary to determine past soil quality and it helps to increase our understanding of prehistoric soil cultivation practices. Furthermore, these information could also help to increase our understanding about agricultural systems in different archaeological periods.

Spatial heterogeneity and substrate availability as limiting factors for subsoil C-turnover

In subsoils, organic matter (SOM) concentrations and microbial densities are much lower than in topsoils and most likely highly heterogeneously distributed. We therefore hypothesize, that the spatial separation between consumers (microorganisms) and their substrates (SOM) is an important limiting factor for carbon turnover in subsoils. Further, we expect microbial activity to occur mainly in few hot spots, such as the rhizosphere or flow paths where fresh substrate inputs are rapidly mineralized. In a first step, the spatial distribution of enzyme and microbial activities in top- and subsoils will be determined in order to identify hot spots and relate this to apparent 14C age, SOM composition, microbial community composition and soil properties, as determined by the other projects within the research unit. In a further step it will be determined, if microbial activity and SOM turnover is limited by substrate availability in spatially distinct soil microsites. By relating this data to root distribution and preferential flow paths we will contribute to the understanding of stabilizing and destabilizing processes of subsoil organic matter. As it is unclear, at which spatial scale these differentiating processes are effective, the analysis of spatial variability will cover the dm to the mm scale. As spatial segregation between consumers and substrates will depend on the pore and aggregate architecture of the soil, the role of the physical integrity of these structures on SOM turnover will also be investigated in laboratory experiments.

Forest management in the Earth system

The majority of the worlds forests has undergone some form of management, such as clear-cut or thinning. This management has direct relevance for global climate: Studies estimate that forest management emissions add a third to those from deforestation, while enhanced productivity in managed forests increases the capacity of the terrestrial biosphere to act as a sink for carbon dioxide emissions. However, uncertainties in the assessment of these fluxes are large. Moreover, forests influence climate also by altering the energy and water balance of the land surface. In many regions of historical deforestation, such biogeophysical effects have substantially counteracted warming due to carbon dioxide emissions. However, the effect of management on biogeophysical effects is largely unknown beyond local case studies. While the effects of climate on forest productivity is well established in forestry models, the effects of forest management on climate is less understood. Closing this feedback cycle is crucial to understand the driving forces behind past climate changes to be able to predict future climate responses and thus the required effort to adapt to it or avert it. To investigate the role of forest management in the climate system I propose to integrate a forest management module into a comprehensive Earth system model. The resulting model will be able to simultaneously address both directions of the interactions between climate and the managed land surface. My proposed work includes model development and implementation for key forest management processes, determining the growth and stock of living biomass, soil carbon cycle, and biophysical land surface properties. With this unique tool I will be able to improve estimates of terrestrial carbon source and sink terms and to assess the susceptibility of past and future climate to combined carbon cycle and biophysical effects of forest management. Furthermore, representing feedbacks between forest management and climate in a global climate model could advance efforts to combat climate change. Changes in forest management are inevitable to adapt to future climate change. In this process, is it possible to identify win-win strategies for which local management changes do not only help adaptation, but at the same time mitigate global warming by presenting favorable effects on climate? The proposed work opens a range of long-term research paths, with the aim of strengthening the climate perspective in the economic considerations of forest management and helping to improve local decisionmaking with respect to adaptation and mitigation.

ACTRIS-D Central Facilities, Teilprojekt 2 (KIT-CF): Aufbau der zentralen ACTRIS Kalibriereinrichtung für Wolken in-situ Messungen (Topical Centre for Cloud in situ Measurements)

Biogeochemical reactivity of Fe-organic matter coprecipitates

Iron(III) (hydr)oxide-organic associations in soils have been recognized to play an important role in the biogeochemical cycling of iron, carbon, and of nutrients like phosphate. In temporarily moist or water-logged soils such associations can form via the coprecipitation of dissolved organic matter (OM) with Fe(III) (hydr)oxides (FHOs). At present, it is generally unknown which factors control the formation and composition of Fe(III)-OM coprecipitates and how the structural properties translate into the cycling of the FHO and OM component involved. The objectives of the project are thus to elucidate (i) the structural properties of Fe(III)- OM coprecipitates under different environmental conditions, (ii) the subsequent stability of Fe(III)-OM coprecipitates against dissolution under both oxic as well as anoxic conditions, (iii) the changes in Fe(III)-OM coprecipitate composition upon redox oscillations, and (iii) their cumulative effects on oxyanion sorption. To achieve these goals, various batch experiments will be conducted. By using multiple analytical tools, this project will gain a fundamental understanding of the abiotic and biotic controls on the formation, structure, and biogeochemical reactivity of Fe(III)-OM coprecipitates in acidic and neutral temporarily moist soils and soils subject to redox oscillations.

Schwerpunktprogramm (SPP) 1488: Planetary Magnetism (PlanetMag), Mineral magnetism of shocked ferrimagnetic minerals

Magnetic properties of ferrimagnetic minerals depend on their crystal lattice, anisotropy, chemical composition and grain size. The latter parameter is strongly controlled by microstructures, which are significant for the interpretation of the magnetic properties of shocked magnetic minerals. Fracturing and lattice defects are the main causes for magnetic domain size reduction and generate an increase in coercivity and the suppression of magnetic transitions (e.g. 34 K transition in pyrrhotite, Verwey transition in magnetite).Especially for an adequate investigation of shock-induced modifications in ferromagnetic minerals, a combination of microstructural and magnetic measurements is therefore essential.This project focusses on two significant aspects of extreme conditions - the consequence of shock waves on natural material on Earth and on the magnetic mineralogy of exotic magnetic minerals in iron meteorites. In order to obtain general correlations between deformation structures and magnetic properties, the specific magnetic properties and carriers as well as microstructures of samples from two impact structures in marine targets (Lockne and Chesapeake Bay) will be compared with shocked magnetite ore and magnetite-bearing target lithologies from outside the crater (Lockne) as well as from undeformed megablocks within the crater (Chesapeake Bay). We will test the hypothesis if shock-related microstructures and associated magnetic properties can significantly be overprinted by postshock hydrothermal alteration. We especially want to focus on the Verwey transition (TV) as lower TVs are described for shocked impact lithologies. Hence, the main focus of this study lies on magneto-mineralogical investigations which combine low- and high-temperature magnetic susceptibility and saturation isothermal remanent magnetization with mineralogical and microstructural investigations. The same methods will then be used for the investigation of iron meteorites, whose magnetic properties are often controled by exotic magnetic minerals like cohenite, schreibersite and daubreelite in addition to the metal phases. Magnetic transition temperatures of those phases are poorly documented in relation to their chemical composition as well as to their crystallographic and microstructural configuration. For a general understanding of shock-related magnetization processes in extraterrestrial and terrestrial material, however, it is crucial to obtain a general correlation between the initial 'unshocked' state and the subsequent shock- and alteration-related overprints.

Forschergruppe (FOR) 1525: INUIT - Ice Nuclei research UnIT, Umfassende Prozessuntersuchungen zur heterogenen Eisnukleation: von einzelnen Wolkentropfen zu Wolkensimulationen

Verlässliche Vorhersagen von Wetter und Klimawandel erfordern ein gutes Verständnis der Eisbildung in troposphärischen Wolken. Von besonderer Bedeutung ist dabei die sogenannte heterogene Eisnukleation durch atmosphärische Aerosolpartikel. Das hier beantragte Projekt beinhaltet eine umfassende Untersuchung der heterogenen Eisnukleation in Zirruswolken und Mischphasenwolken, gemeinsam mit 8 weiteren Projekten der Forschergruppe INUIT. Eisbildung durch Kontaktgefrieren wird für einzelne Tröpfchen in einem elektrodynamischen Levitator (Paulfalle) untersucht. Experimente zum Einfluss von Aerosolen auf Immersionsgefrieren, Kontaktgefrieren und Depositionsnukleation werden in der AIDA-Wolkenkammer und einer neuen dynamischen Wolkenkammer durchgeführt, falls diese wie geplant bis Anfang 2016 zur Verfügung stehen wird. Hauptziele und Arbeitspakete des Projekts sind (a) Untersuchungen zum Immersionsgefrieren, Kontaktgefrieren und zur Depositionsnukleation von INUIT-2 Referenzaerosolen in enger Zusammenarbeit mit allen anderen lNUlT-2-Partnern, (b) AIDA-Wolkensimulationsexperimente mit redispergierten atmosphärischen Aerosolen die auf Filtern gesammelt wurden (in Zusammenarbeit mit RP8), (c) AIDA-Experimente mit porösen Partikeln zur Untersuchung des Einflusses von Kapillarkondensation und Prä-aktivierung auf Eisnukleationsprozesse, (d) EDB-Experimente zur Kontaktnukleation mit atmosphärisch relevanten und komplexen Aerosolen, (e) Untersuchungen zu den grundlegenden Mechanismen des Kontaktgefrierens, (f) die Entwicklung einer umfassenden und einheitlichen Parametrisierung heterogener Eisnukleation in enger Zusammenarbeit mit RP3 und RP5, (g) erste Experimente zur Kontaktnukleation in einer neuen Wolkenkammer unter Nutzung der Expertise aus langjährigen Experimenten zum Kontaktgefrieren und mit der Wolkensimulationskammer, (h) die Durchführung von zwei AIDA-Messkampagnen, eine nur für die INUIT-2- Partner und eine mit internationaler Beteiligung, bei denen Labormethoden und Feld Instrumente für die Messung von Aerosolen und eisbildenden Partikeln getestet und miteinander verglichen werden um hohe internationale Standards in der Eisnukleationsforschung zu entwickeln und zu erhalten. Die Aktivitäten an der AIDA-Wolkenkammer bieten auch eine gute Verknüpfung der Labor-, Feld und Modellieraktivitäten innerhalb der Forschergruppe INUIT und mit externen Partnern. In Ergänzung der laufenden INUIT-Arbeiten möchten wir in weiteren drei Jahren der Forschergruppe folgende neue Schwerpunkte setzen: die Eisnukleationseigenschaften von porösen Partikeln, Immersionsgefrieren und Depositionsnukleation von größenselektierten Partikeln mit Durchmessern bis zu einigen Mikrometern, die Quantifizierung von Kontaktgefrierraten von atmosphärisch relevanten komplexen Aerosolpartikeln, und erste Wolkenkammerexperimente zum Kontaktgefrieren. Außerdem werden wir die Erstellung und Pflege einer neuen Datenbank für Laborergebnisse zur heterogenen Eisnukleation unterstützen.

Sonderforschungsbereich (SFB) 1357: MIKROPLASTIK - Gesetzmäßigkeiten der Bildung, des Transports, des physikalisch-chemischen Verhaltens sowie der biologischen Effekte: Von Modell- zu komplexen Systemen als Grundlage neuer Lösungsansätze; MICROPLASTICS - Understanding the mechanisms and processes of biological effects, transport and formation: From model to complex systems as a basis for new solut, Teilprojekt C 05: Abbau und Verhalten von Kunststoffen und deren Mikroplastik-Partikeln in technischen Systemen der Wasser- und Abfallwirtschaft

Teilprojekt C05 hat zum Ziel, den wichtigen Eintragsweg für Kunststoffe, in Form von Mikroplastik, in die Umwelt aus technischen Anlagen (MP) mechanistisch aufzuklären. Gleichzeitig sollen neue Ansätze verfolgt werden, die zur Vermeidung bzw. Reduktion von MP aus Standardkunststoffen maßgeblich beitragen sollen. Zu diesem Zweck sollen Polyethylen, Polypropylen, Polystyrol, Nylon, Polyethylenterephthalat, Polyisopren und Polyvinylchlorid durch Beschleuniger (in situ) in ihren Oberflächeneigenschaften für die Biofilmbildung modifiziert und dadurch unter Prozessbedingungen biologisch angreifbar und abbaubar gemacht werden. So können auch Standardkunststoffe umweltverträglicher bezüglich der MP-Partikel Bildung werden. Damit geht TP C05 weit über die bislang üblichen eher deskriptiven Studien zu MP in technischen Anlagen und der Umwelt hinaus. Folgende zentrale Fragen sollen in TP C05 in Hinblick MP-Partikel in technischen Anlagen der Abfall- und Abwasserwirtschaft beantwortet werden: 1. Kommt es in den Anlagen zu spezifischen (biologischen) Abbau- und Degradationsvorgängen? 2. Wie hängen die zu beobachtenden Prozesse von MP-Charakteristika (Materialsorte, Zusammensetzung, Größe, Morphologie, Beschichtung) ab, ? 3. Lassen sich die Vorgänge ('Bioabbaubarkeit') durch gezielte Modifikation der Partikeloberfläche vor oder in den Anlagen beschleunigen? 4. Welche ökologischen Konsequenzen einer Ausbringung der (modifizierten) Partikel in die Umwelt und hier vor allem in den Boden lassen sich postulieren?

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