3,510 research outputs found

    Deconvolving Instrumental and Intrinsic Broadening in Excited State X-ray Spectroscopies

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    Intrinsic and experimental mechanisms frequently lead to broadening of spectral features in excited-state spectroscopies. For example, intrinsic broadening occurs in x-ray absorption spectroscopy (XAS) measurements of heavy elements where the core-hole lifetime is very short. On the other hand, nonresonant x-ray Raman scattering (XRS) and other energy loss measurements are more limited by instrumental resolution. Here, we demonstrate that the Richardson-Lucy (RL) iterative algorithm provides a robust method for deconvolving instrumental and intrinsic resolutions from typical XAS and XRS data. For the K-edge XAS of Ag, we find nearly complete removal of ~9.3 eV FWHM broadening from the combined effects of the short core-hole lifetime and instrumental resolution. We are also able to remove nearly all instrumental broadening in an XRS measurement of diamond, with the resulting improved spectrum comparing favorably with prior soft x-ray XAS measurements. We present a practical methodology for implementing the RL algorithm to these problems, emphasizing the importance of testing for stability of the deconvolution process against noise amplification, perturbations in the initial spectra, and uncertainties in the core-hole lifetime.Comment: 35 pages, 13 figure

    Succinct Indexable Dictionaries with Applications to Encoding kk-ary Trees, Prefix Sums and Multisets

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    We consider the {\it indexable dictionary} problem, which consists of storing a set S{0,...,m1}S \subseteq \{0,...,m-1\} for some integer mm, while supporting the operations of \Rank(x), which returns the number of elements in SS that are less than xx if xSx \in S, and -1 otherwise; and \Select(i) which returns the ii-th smallest element in SS. We give a data structure that supports both operations in O(1) time on the RAM model and requires B(n,m)+o(n)+O(lglgm){\cal B}(n,m) + o(n) + O(\lg \lg m) bits to store a set of size nn, where {\cal B}(n,m) = \ceil{\lg {m \choose n}} is the minimum number of bits required to store any nn-element subset from a universe of size mm. Previous dictionaries taking this space only supported (yes/no) membership queries in O(1) time. In the cell probe model we can remove the O(lglgm)O(\lg \lg m) additive term in the space bound, answering a question raised by Fich and Miltersen, and Pagh. We present extensions and applications of our indexable dictionary data structure, including: An information-theoretically optimal representation of a kk-ary cardinal tree that supports standard operations in constant time, A representation of a multiset of size nn from {0,...,m1}\{0,...,m-1\} in B(n,m+n)+o(n){\cal B}(n,m+n) + o(n) bits that supports (appropriate generalizations of) \Rank and \Select operations in constant time, and A representation of a sequence of nn non-negative integers summing up to mm in B(n,m+n)+o(n){\cal B}(n,m+n) + o(n) bits that supports prefix sum queries in constant time.Comment: Final version of SODA 2002 paper; supersedes Leicester Tech report 2002/1

    Reconstructing phylogenetic level-1 networks from nondense binet and trinet sets

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    Binets and trinets are phylogenetic networks with two and three leaves, respectively. Here we consider the problem of deciding if there exists a binary level-1 phylogenetic network displaying a given set T of binary binets or trinets over a taxon set X, and constructing such a network whenever it exists. We show that this is NP-hard for trinets but polynomial-time solvable for binets. Moreover, we show that the problem is still polynomial-time solvable for inputs consisting of binets and trinets as long as the cycles in the trinets have size three. Finally, we present an O(3^{|X|} poly(|X|)) time algorithm for general sets of binets and trinets. The latter two algorithms generalise to instances containing level-1 networks with arbitrarily many leaves, and thus provide some of the first supernetwork algorithms for computing networks from a set of rooted 1 phylogenetic networks

    Materials with periodic internal structure: Computation based on homogenization and comparison with experiment

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    The combination of thermal and mechanical loading expected in practice means that constitutive equations of metal matrix composites must be developed which deal with time-independent and time-dependent irreversible deformation. Also, the internal state of composites is extremely complicated which underlines the need to formulate macroscopic constitutive equations with a limited number of state variables which represent the internal state at the micro level. One available method for calculating the macro properties of composites in terms of the distribution and properties of the constituent materials is the method of homogenization whose formulation is based on the periodicity of the substructure of the composite. A homogenization procedure was developed which lends itself to the use of the finite element procedure. The efficiency of these procedures, to determine the macroscopic properties of a composite system from its constituent properties, was demonstrated utilizing an aluminum plate perforated by directionally oriented slits. The selection of this problem is based on the fact that, extensive experimental results exist, the macroscopic response is highly anisotropic, and that the slits provide very high stress gradients which severely test the effectiveness of the computational procedures. Furthermore, both elastic and plastic properties were investigated so that the application to practical systems with inelastic deformation should be able to proceed without difficulty. The effectiveness of the procedures was rigorously checked against experimental results and with the predictions of approximate calculations. Using the computational results it is illustrated how macroscopic constitutive equations can be expressed in forms of the elastic and limit load behavior

    Carbon release by selective alloying of transition metal carbides

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    We have performed first principles density functional theory calculations on TiC alloyed on the Ti sublattice with 3d transition metals ranging from Sc to Zn. The theory is accompanied with experimental investigations, both as regards materials synthesis as well as characterization. Our results show that by dissolving a metal with a weak ability to form carbides, the stability of the alloy is lowered and a driving force for the release of carbon from the carbide is created. During thin film growth of a metal carbide this effect will favor the formation of a nanocomposite with carbide grains in a carbon matrix. The choice of alloying elements as well as their concentrations will affect the relative amount of carbon in the carbide and in the carbon matrix. This can be used to design the structure of nanocomposites and their physical and chemical properties. One example of applications is as low-friction coatings. Of the materials studied, we suggest the late 3d transition metals as the most promising elements for this phenomenon, at least when alloying with TiC.Comment: 9 pages, 6 figure

    High level software for 4.8 GHz LHC Schottky system

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    The performance of the LHC depends critically on the accurate measurements of the betatron tunes. The betatron tune values of each LHC beam may be measured without excitation using a newly installed transverse Schottky monitor. A high-level software package written in Java has been developed for the Schottky system. The software allows end users to monitor and control the Schottky system, and provides them with non-destructive and continuous bunch-by-bunch measurements for the tunes, momentum spreads, chromaticities and emittances of the LHC beams. It has been tested with both proton and lead ion beams at the LHC with very successful results.Comment: 3 pp. Particle Accelerator, 24th Conference (PAC'11) 2011. 28 Mar - 1 Apr 2011. New York, US
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