2,462 research outputs found
Deconvolving Instrumental and Intrinsic Broadening in Excited State X-ray Spectroscopies
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
Electronic structure and chemical bonding in Ti4SiC3 investigated by soft x-ray emission spectroscopy and first principle theory
The electronic structure in the new transition metal carbide Ti4SiC3 has been
investigated by bulk-sensitive soft x-ray emission spectroscopy and compared to
the well-studied Ti3SiC2 and TiC systems. The measured high-resolution Ti L, C
K and Si L x-ray emission spectra are discussed with ab initio calculations
based on density-functional theory including core-to-valence dipole matrix
elements. The detailed investigations of the Ti-C and Ti-Si chemical bonds
provide increased understanding of the physical properties of these
nanolaminates. A strongly modified spectral shape is detected for the buried Si
monolayers due to Si 3p hybridization with the Ti 3d orbitals. As a result of
relaxation of the crystal structure and the charge-transfer from Ti (and Si) to
C, the strength of the Ti-C covalent bond is increased. The differences between
the electronic and crystal structures of Ti4SiC3 and Ti3SiC2 are discussed in
relation to the number of Si layers per Ti layer in the two systems and the
corresponding change of materials properties.Comment: 12 pages, 7 figures, 1 tabl
Factors increase social welfare of the population in the knowledge economy
At present, the knowledge economy plays a very important role. It is the key to competitiveness in the market and is the driving force of enhanced social life of mankind. Improving the welfare conditions of the knowledge economy is a very urgent problem that most countries are particularly interested. This problem mainly be promoted based on the development of cognitive capital
Electronic structure and chemical bonding in Ti2AlC investigated by soft x-ray emission spectroscopy
The electronic structure of the nanolaminated transition metal carbide Ti2AlC
has been investigated by bulk-sensitive soft x-ray emission spectroscopy. The
measured Ti L, C K and Al L emission spectra are compared with calculated
spectra using ab initio density-functional theory including dipole matrix
elements. The detailed investigation of the electronic structure and chemical
bonding provides increased understanding of the physical properties of this
type of nanolaminates. Three different types of bond regions are identified;
the relatively weak Ti 3d - Al 3p hybridization 1 eV below the Fermi level, and
the Ti 3d - C 2p and Ti 3d - C 2s hybridizations which are stronger and deeper
in energy are observed around 2.5 eV and 10 eV below the Fermi level,
respectively. A strongly modified spectral shape of the 3s final states in
comparison to pure Al is detected for the buried Al monolayers indirectly
reflecting the Ti 3d - Al 3p hybridization. The differences between the
electronic and crystal structures of Ti2AlC, Ti3AlC2 and TiC are discussed in
relation to the number of Al layers per Ti layer in the two former systems and
the corresponding change of the unusual materials properties.Comment: 14 pages, 7 figures; PACS:78.70.En, 71.15.Mb, 71.20.-
Computational Modeling of Dynamical Systems
In this short note, we discuss the basic approach to computational modeling
of dynamical systems. If a dynamical system contains multiple time scales,
ranging from very fast to slow, computational solution of the dynamical system
can be very costly. By resolving the fast time scales in a short time
simulation, a model for the effect of the small time scale variation on large
time scales can be determined, making solution possible on a long time
interval. This process of computational modeling can be completely automated.
Two examples are presented, including a simple model problem oscillating at a
time scale of 1e-9 computed over the time interval [0,100], and a lattice
consisting of large and small point masses
Efficient LZ78 factorization of grammar compressed text
We present an efficient algorithm for computing the LZ78 factorization of a
text, where the text is represented as a straight line program (SLP), which is
a context free grammar in the Chomsky normal form that generates a single
string. Given an SLP of size representing a text of length , our
algorithm computes the LZ78 factorization of in time
and space, where is the number of resulting LZ78 factors.
We also show how to improve the algorithm so that the term in the
time and space complexities becomes either , where is the length of the
longest LZ78 factor, or where is a quantity
which depends on the amount of redundancy that the SLP captures with respect to
substrings of of a certain length. Since where
is the alphabet size, the latter is asymptotically at least as fast as
a linear time algorithm which runs on the uncompressed string when is
constant, and can be more efficient when the text is compressible, i.e. when
and are small.Comment: SPIRE 201
Electronic structure investigation of Ti3AlC2, Ti3SiC2, and Ti3GeC2 by soft-X-ray emission spectroscopy
The electronic structures of epitaxially grown films of Ti3AlC2, Ti3SiC2 and
Ti3GeC2 have been investigated by bulk-sensitive soft X-ray emission
spectroscopy. The measured high-resolution Ti L, C K, Al L, Si L and Ge M
emission spectra are compared with ab initio density-functional theory
including core-to-valence dipole matrix elements. A qualitative agreement
between experiment and theory is obtained. A weak covalent Ti-Al bond is
manifested by a pronounced shoulder in the Ti L-emission of Ti3AlC2. As Al is
replaced with Si or Ge, the shoulder disappears. For the buried Al and
Si-layers, strongly hybridized spectral shapes are detected in Ti3AlC2 and
Ti3SiC2, respectively. As a result of relaxation of the crystal structure and
the increased charge-transfer from Ti to C, the Ti-C bonding is strengthened.
The differences between the electronic structures are discussed in relation to
the bonding in the nanolaminates and the corresponding change of materials
properties.Comment: 15 pages, 8 figure
High level software for 4.8 GHz LHC Schottky system
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
p53 mutations in urinary bladder cancer
We have screened for mutations in exons 5–8 of the p53 gene in a series consisting of 189 patients with urinary bladder neoplasms. 82 (44%) neoplasms were lowly malignant (Ta, G1–G2a) and 106 (56%) were highly malignant (G2b–G4 or ≥T1). Only one mutation was in a lowly malignant urinary bladder neoplasm, in total we found p53 mutations in 26 (14%) of the 189 patients. 30% of the samples had loss of heterozygosity (LOH) for one or both of the p53 exogenic (CA)n repeat and the p53 intragenic (AAAAT)n repeat markers. 31 samples (21%) showed LOH but were not mutated, suggesting other mechanisms inactivating p53 than mutations. 4 mutations were found at codon 280 and 2 mutations were found at codon 285, 2 previously reported hot spots for urinary bladder cancer. The study indicate a boundary between G2a and G2b tumours concerning the occurrence of genetic events affecting p53 function; moderately differentiated (G2) urinary bladder neoplasms probably are genetically heterogeneous which supports the suggestion that they should not be grouped together but instead, for example, be categorized as either lowly or highly malignant. © 2001 Cancer Research Campaign http://www.bjcancer.co
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