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- Klementiev, Konstantin, et al.
(författare)
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Powerful scriptable ray tracing package xrt
- 2014
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Ingår i: Advances in Computational Methods for X-Ray Optics III. - : SPIE. - 1996-756X .- 0277-786X. ; 9209, s. 92090-92090
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Konferensbidrag (refereegranskat)abstract
- We present an open source python based ray tracing tool that offers several useful features in graphical presentation, material properties, advanced calculations of synchrotron sources, implementation of diffractive and refractive elements, complex (also closed) surfaces and multiprocessing. The package has many usage examples which are supplied together with the code and visualized on its web page. We exemplify the present version by modeling (i) a curved crystal analyzer, (ii) a quarter wave plate, (iii) Bragg-Fresnel optics and (iv) multiple reflective and non-sequential optics (polycapillary). The present version implements the use of OpenCL framework that executes calculations on both CPUs and GPUs. Currently, the calculations of an undulator source on a GPU show a gain of about two orders of magnitude in computing time. The development version is successful in modelling the wavefront propagation. Two examples of diffraction on a plane mirror and a plane blazed grating are given for a beam with a finite energy band.
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| 2. |
- Klementiev, K., et al.
(författare)
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XAFSmass : A program for calculating the optimal mass of XAFS samples
- 2016
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Ingår i: Journal of Physics: Conference Series. - : IOP Publishing. - 1742-6588 .- 1742-6596. ; 712:1
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Tidskriftsartikel (refereegranskat)abstract
- We present a new implementation of the XAFSmass program that calculates the optimal mass of XAFS samples. It has several improvements as compared to the old Windows based program XAFSmass: 1) it is truly platform independent, as provided by Python language, 2) it has an improved parser of chemical formulas that enables parentheses and nested inclusion-to-matrix weight percentages. The program calculates the absorption edge height given the total optical thickness, operates with differently determined sample amounts (mass, pressure, density or sample area) depending on the aggregate state of the sample and solves the inverse problem of finding the elemental composition given the experimental absorption edge jump and the chemical formula.
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| 3. |
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| 4. |
- Yu, Changxun, 1983-, et al.
(författare)
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Storage and Distribution of Organic Carbon and Nutrients in Acidic Soils Developed on Sulfidic Sediments : The Roles of Reactive Iron and Macropores
- 2024
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Ingår i: Environmental Science and Technology. - : American Chemical Society (ACS). - 0013-936X .- 1520-5851. ; 58:21, s. 9200-9212
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Tidskriftsartikel (refereegranskat)abstract
- In a boreal acidic sulfate-rich subsoil (pH 3–4) developing on sulfidic and organic-rich sediments over the past 70 years, extensive brownish-to-yellowish layers have formed on macropores. Our data reveal that these layers (“macropore surfaces”) are strongly enriched in 1 M HCl-extractable reactive iron (2–7% dry weight), largely bound to schwertmannite and 2-line ferrihydrite. These reactive iron phases trap large pools of labile organic matter (OM) and HCl-extractable phosphorus, possibly derived from the cultivated layer. Within soil aggregates, the OM is of a different nature from that on the macropore surfaces but similar to that in the underlying sulfidic sediments (C-horizon). This provides evidence that the sedimentary OM in the bulk subsoil has been largely preserved without significant decomposition and/or fractionation, likely due to physiochemical stabilization by the reactive iron phases that also existed abundantly within the aggregates. These findings not only highlight the important yet underappreciated roles of iron oxyhydroxysulfates in OM/nutrient storage and distribution in acidic sulfate-rich and other similar environments but also suggest that boreal acidic sulfate-rich subsoils and other similar soil systems (existing widely on coastal plains worldwide and being increasingly formed in thawing permafrost) may act as global sinks for OM and nutrients in the short run.
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