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1.
J Chem Phys ; 158(13): 134304, 2023 Apr 07.
Artículo en Inglés | MEDLINE | ID: mdl-37031139

RESUMEN

Characterization of the inner-shell decay processes in molecules containing heavy elements is key to understanding x-ray damage of molecules and materials and for medical applications with Auger-electron-emitting radionuclides. The 1s hole states of heavy atoms can be produced by absorption of tunable x rays and the resulting vacancy decays characterized by recording emitted photons, electrons, and ions. The 1s hole states in heavy elements have large x-ray fluorescence yields that transfer the hole to intermediate electron shells that then decay by sequential Auger-electron transitions that increase the ion's charge state until the final state is reached. In molecules, the charge is spread across the atomic sites, resulting in dissociation to energetic atomic ions. We have used x-ray/ion coincidence spectroscopy to measure charge states and energies of Iq+ and Brq'+ atomic ions following 1s ionization at the I and Br K-edges of IBr. We present the charge states and kinetic energies of the two correlated fragment ions associated with core-excited states produced during the various steps of the cascades. To understand the dynamics leading to the ion data, we develop a computational model that combines Monte-Carlo/Molecular-Dynamics (MC/MD) simulations with a classical over-the-barrier model to track inner-shell cascades and redistribution of electrons in valence orbitals and nuclear motion of fragments.

2.
J Synchrotron Radiat ; 23(Pt 5): 1082-6, 2016 09 01.
Artículo en Inglés | MEDLINE | ID: mdl-27577759

RESUMEN

The performance of a cooled Be compound refractive lens (CRL) has been tested at the Advanced Photon Source (APS) to enable vertical focusing of the pink beam and permit the X-ray beam to spatially overlap with an 80 µm-high low-density plasma that simulates astrophysical environments. Focusing the fundamental harmonics of an insertion device white beam increases the APS power density; here, a power density as high as 500 W mm(-2) was calculated. A CRL is chromatic so it does not efficiently focus X-rays whose energies are above the fundamental. Only the fundamental of the undulator focuses at the experiment. A two-chopper system reduces the power density on the imaging system and lens by four orders of magnitude, enabling imaging of the focal plane without any X-ray filter. A method to measure such high power density as well as the performance of the lens in focusing the pink beam is reported.

3.
Landsc Ecol ; 30(3): 443-461, 2015.
Artículo en Inglés | MEDLINE | ID: mdl-26120250

RESUMEN

CONTEXT: Future patterns of European ecosystem services provision are likely to vary significantly as a result of climatic and socio-economic change and the implementation of adaptation strategies. However, there is little research in mapping future ecosystem services and no integrated assessment approach to map the combined impacts of these drivers. OBJECTIVE: Map changing patterns in ecosystem services for different European futures and (a) identify the role of driving forces; (b) explore the potential influence of different adaptation options. METHODS: The CLIMSAVE integrated assessment platform is used to map spatial patterns in services (food, water and timber provision, atmospheric regulation, biodiversity existence/bequest, landscape experience and land use diversity) for a number of combined climatic and socio-economic scenarios. Eight adaptation strategies are explored within each scenario. RESULTS: Future service provision (particularly water provision) will be significantly impacted by climate change. Socio-economic changes shift patterns of service provision: more dystopian societies focus on food provision at the expense of other services. Adaptation options offer significant opportunities, but may necessitate trade-offs between services, particularly between agriculture- and forestry-related services. Unavoidable trade-offs between regions (particularly South-North) are also identified in some scenarios. CONCLUSIONS: Coordinating adaptation across regions and sectors will be essential to ensure that all needs are met: a factor that will become increasingly pressing under dystopian futures where inter-regional cooperation breaks down. Integrated assessment enables exploration of interactions and trade-offs between ecosystem services, highlighting the importance of taking account of complex cross-sectoral interactions under different future scenarios of planning adaptation responses.

4.
Environ Pollut ; 167: 58-69, 2012 Aug.
Artículo en Inglés | MEDLINE | ID: mdl-22522813

RESUMEN

Evidence from a multi-date regional-scale analysis of both high-flow and annual-average water quality data from Galloway, south-west Scotland, demonstrates that forest land cover continues to exacerbate freshwater acidification. This is in spite of significant reductions in airborne pollutants. The relationship between freshwater sulphate and forest cover has decreased from 1996 to 2006 indicating a decrease in pollutant scavenging. The relationship between forest cover and freshwater acidity (pH) is, however, still present over the same period, and does not show conclusive signs of having declined. Furthermore, evidence for forest cover contributing to a chlorine bias in marine ion capture suggests that forest scavenging of sea-salts may mean that the forest acidification effect may continue in the absence of anthropogenic pollutant inputs, particularly in coastal areas.


Asunto(s)
Lluvia Ácida/análisis , Contaminantes Atmosféricos/análisis , Agua Dulce/química , Sulfatos/análisis , Árboles/crecimiento & desarrollo , Contaminantes Químicos del Agua/análisis , Lluvia Ácida/prevención & control , Lluvia Ácida/estadística & datos numéricos , Contaminación del Aire/estadística & datos numéricos , Monitoreo del Ambiente , Agricultura Forestal , Tecnología de Sensores Remotos , Escocia , Agua de Mar/química , Calidad del Agua
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