Direct determination of defect structures

1996 ◽  
Vol 211 (10) ◽  
Author(s):  
R. B. Neder ◽  
A. Halbhuber ◽  
F. Frey
Keyword(s):  
Fourier Transforms ◽  
Direct Determination ◽  
Extended Defects ◽  
Defect Structures ◽  
Resolution Function ◽  
One Dimensional ◽  
Average Structure ◽  
Experimental Resolution

AbstractA procedure for the direct determination of defect structures is presented. The procedure uses the average structure to calculate starting phases. An iterative cycle of inverse Fourier transforms and interpretations of the scattering density is applied. Within each cycle the scattering density is interpreted to yield a structure deviating from the average structure by missing, replaced or shifted atoms. The procedure usually converges after a few cycles and allows a direct determination of substitutional and displacement disorder. By analyzing the correlations between different atoms, extended defects can be recognized. The current results are preliminary and have been limited to an idealized one dimensional situation, under the assumption of a negligible experimental resolution function.

Direct Determination of Low-Dimensional Structures:  Synchrotron X-ray Scattering on One-Dimensional Charge-Ordered MMX-Chain Complexes

2006 ◽  
Vol 128 (20) ◽  
pp. 6676-6682 ◽  
Author(s):  
Yusuke Wakabayashi ◽  
Atsushi Kobayashi ◽  
Hiroshi Sawa ◽  
Hiroyuki Ohsumi ◽  
Naoshi Ikeda ◽  
...  
Keyword(s):  
Direct Determination ◽  
One Dimensional ◽  
X Ray ◽  
X Ray Scattering ◽  
Chain Complexes ◽  
Low Dimensional ◽  
Ray Scattering

Direct Determination of the Single-Ion Anisotropy in a One-Dimensional Magnetic System by High-Field EPR Spectroscopy; Synthesis, EPR, and X-ray Structure of NixZn1-x(C2O4)(dmiz)2[x= 0.07]

2000 ◽  
Vol 39 (2) ◽  
pp. 159-164 ◽  
Author(s):  
Luca A. Pardi ◽  
Alia K. Hassan ◽  
Frans B. Hulsbergen ◽  
Jan Reedijk ◽  
Anthony L. Spek ◽  
...  
Keyword(s):  
Epr Spectroscopy ◽  
High Field ◽  
Magnetic System ◽  
Direct Determination ◽  
One Dimensional ◽  
X Ray

scholarly journals Direct determination of the Tomonaga-Luttinger parameter K in quasi-one-dimensional spin systems

2020 ◽  
Vol 101 (22) ◽  
Author(s):  
Mladen Horvatić ◽  
Martin Klanjšek ◽  
Edmond Orignac
Keyword(s):  
Direct Determination ◽  
Spin Systems ◽  
One Dimensional

scholarly journals Direct determination of one-dimensional interphase structures using normalized crystal truncation rod analysis

2018 ◽  
Vol 51 (3) ◽  
pp. 679-684 ◽  
Author(s):  
Tomoya Kawaguchi ◽  
Yihua Liu ◽  
Anthony Reiter ◽  
Christian Cammarota ◽  
Michael S. Pierce ◽  
...  
Keyword(s):  
Present Method ◽  
Phase Retrieval ◽  
Direct Method ◽  
Direct Determination ◽  
Iterative Approach ◽  
Initial Model ◽  
One Dimensional ◽  
Crystal Truncation Rod ◽  
Kronig Relation

A one-dimensional non-iterative direct method was employed for normalized crystal truncation rod analysis. The non-iterative approach, utilizing the Kramers–Kronig relation, avoids the ambiguities due to an improper initial model or incomplete convergence in the conventional iterative methods. The validity and limitations of the present method are demonstrated through both numerical simulations and experiments with Pt(111) in a 0.1 M CsF aqueous solution. The present method is compared with conventional iterative phase-retrieval methods.

Direct determination of deuterium in untreated water and urine by NMR: application to DLW analysis

1995 ◽  
Vol 268 (5) ◽  
pp. E1018-E1026 ◽  
Author(s):  
J. T. Brenna ◽  
K. E. Yeager
Keyword(s):  
Least Squares ◽  
Time Domain ◽  
Fourier Transforms ◽  
Tap Water ◽  
Direct Determination ◽  
Average Error ◽  
Experimental Conditions ◽  
Wide Range ◽  
The Time Domain

Determination of deuterium (D) concentration in tap water and urine is demonstrated to average error approximately 0.5% (coefficient of variation) using a 400-MHz nuclear magnetic resonance (NMR) instrument. Time domain data are obtained using 0.75-ml samples in a broadband probe. Peak areas derived from absorption and magnitude mode Fourier transforms and least-squares fitting of the time domain free induction decays (FIDs) are all investigated as means to derive D concentrations from raw data. Least-squares fits using a sum of exponentially damped sinusoids, which yields estimates for the amplitude, damping constant (relaxation time), wavelength (resulting from mixing of precession and reference frequencies), and phase for each of the two components, are shown to provide the best precision for unfiltered FID. Amplitudes are proportional to the number of spins at each frequency, as analysis of untreated urine from doubly labeled water experiments yield highly linear washout data (r2 > 0.99998) for baseline-corrected log-transformed data. The procedure is general and should extend to other body fluids with minimal modifications. These data show that least-squares curve fitting is the most precise method of quantitative NMR data reduction for a wide range of experimental conditions.

Corrigendum: Direct determination of stresses from the stress equations of motion and wave propagation for a new class of elastic bodies

2017 ◽  
Vol 25 (3) ◽  
pp. 866-868 ◽  
Author(s):  
Roger Bustamante
Keyword(s):  
Exact Solution ◽  
Wave Propagation ◽  
Equations Of Motion ◽  
Direct Determination ◽  
One Dimensional ◽  
New Class ◽  
Elastic Bodies ◽  
Wave Propagation Problem ◽  
New Type

In this note it is shown there is an error in the analysis used to obtain an exact solution for the wave propagation problem, for the case of a one-dimensional body considering a new type of constitutive equation.

The Direct Determination of I131 in Heterogeneous Fecal Specimens

1961 ◽  
Vol 41 (4) ◽  
pp. 380-384 ◽  
Author(s):  
Arthur F. Dratz ◽  
James C. Coberly
Keyword(s):  
Direct Determination
Sign in / Sign up

Export Citation Format

Share Document