Simultaneous determination of tensile and shear strains of crystalline bilayers using three Bragg reflections of X-rays

2016 ◽  
Vol 49 (4) ◽  
pp. 1203-1208
Author(s):  
Yan-Zong Zheng ◽  
Ting-Wei Wu ◽  
Lien-Kuang Yu ◽  
Yong-Cheng Wei ◽  
Wen-Chung Liu ◽  
...  
Keyword(s):  
Simultaneous Determination ◽  
Tensile Strain ◽  
Diffraction Peak ◽  
X Rays ◽  
X Ray Diffraction ◽  
Si Substrate ◽  
X Ray ◽  
Theoretical Considerations ◽  
Gesi Layer

A method for the simultaneous determination of nine strain coefficients, both shear and tensile, of crystalline bilayers is proposed and realized. The X-ray diffraction peak intensities along 2θ (vertical) and β (horizontal) scans relative to the plane of incidence of three Bragg reflections whose atomic planes are not parallel to each other can be used to obtain shear and tensile strain coefficients. The theoretical considerations and experimental examples for single-crystal GeSi/Si overlayers are reported. It is also demonstrated that, for GeSi/Si, the shear and tensile strain coefficients of the Si substrate tend to vanish when the GeSi layer is thicker than 40 nm.

scholarly journals Electronic Excitations and Radiation Damage in Macromolecular Crystallography

Crystals ◽  
2018 ◽  
Vol 8 (7) ◽  
pp. 273 ◽  
Author(s):  
José Brandão-Neto ◽  
Leonardo Bernasconi
Keyword(s):  
Chemical Information ◽  
X Rays ◽  
Electronic Excitations ◽  
Macromolecular Crystallography ◽  
X Ray Diffraction ◽  
X Ray ◽  
Atomic Structures ◽  
Successful Approach ◽  
Structural Research

Macromolecular crystallography at cryogenic temperatures has so far provided the majority of the experimental evidence that underpins the determination of the atomic structures of proteins and other biomolecular assemblies by means of single crystal X-ray diffraction experiments. One of the core limitations of the current methods is that crystal samples degrade as they are subject to X-rays, and two broad groups of effects are observed: global and specific damage. While the currently successful approach is to operate outside the range where global damage is observed, specific damage is not well understood and may lead to poor interpretation of the chemistry and biology of the system under study. In this work, we present a phenomenological model in which specific damage is understood as the result of a single process, the steady excitation of crystal electrons caused by X-ray absorption, which acts as a trigger for the bulk effects that manifest themselves in the form of global damage and obscure the interpretation of chemical information from XFEL and synchrotron structural research.

scholarly journals Electronic Excitations and Radiation Damage in Macromolecular Crystallography

2018 ◽  
Author(s):  
José Brandão-Neto ◽  
Leonardo Bernasconi
Keyword(s):  
Chemical Information ◽  
X Rays ◽  
Electronic Excitations ◽  
Macromolecular Crystallography ◽  
X Ray Diffraction ◽  
X Ray ◽  
Atomic Structures ◽  
Successful Approach ◽  
Structural Research

Macromolecular crystallography at cryogenic temperatures has so far provided the majority of the experimental evidence that underpins the determination of the atomic structures of proteins and other biomolecular assemblies by means of single crystal X-ray diffraction experiments. One of the core limitations of the current methods is that crystal samples degrade as they are subject to X-rays, and two broad groups of effects are observed: global and specific damage. While the currently successful approach is to operate outside the range where global damage is observed, specific damage is not well understood and may lead to poor interpretation of the chemistry and biology of the system under study. In this work, we present a phenomenological model in which specific damage is understood as the result of a single process, the steady excitation of crystal electrons caused by X-ray absorption, which acts as a trigger for the bulk effects that manifest themselves in the form of global damage and obscure the interpretation of chemical information from XFEL and synchrotron structural research.

scholarly journals Precision X-Ray Stress Analysis of Uranium and Zirconium

1959 ◽  
Vol 3 ◽  
pp. 331-336
Author(s):  
B. J. Wooden ◽  
Lt. E. C. House ◽  
R. E. Ogilvie
Keyword(s):  
Residual Stresses ◽  
Stress Analysis ◽  
Peak Position ◽  
Diffraction Peak ◽  
X Ray Diffraction ◽  
X Ray ◽  
Least Squares Fit ◽  
Order Polynomial ◽  
Desk Calculator

AbstractThe feasibility of using X-ray diffraction methods to measure residual stresses in uranium and zirconium (Zircaloy-2) was investigated. A precision method was developed for the determination of diffraction peak positions and the precision associated therewith. The statistical tables of Fisher and Yates were used to determine what order polynomial provided the best least squares fit within the known precision of the observed data. It was found that a second-order polynomial provided an adequate regression. With the aid of a desk calculator less than 5 min calculation time is required to determine the peak position to a precision of ±0.01°.The stress constant for uranium was determined to be 1308 ± 110 psi/0.01° shift in Δ2θ for copper radiation on the (116) planes at 2θ = 158.3°. The stress constant for Zircaloy-2 was determined to be 430 ± 1 psi/0.01° shift in Δ2θ for chromium radiation on the (10,4) planes at 2θ = 156.4°.

The Measurement of Elastic Constants for the Determination of Stresses by X-Rays

1983 ◽  
Vol 27 ◽  
pp. 159-170 ◽  
Author(s):  
K. Perry ◽  
I.C. Noyan ◽  
P.J. Rudnik ◽  
J.B. Cohen
Keyword(s):  
Interplanar Spacing ◽  
Measuring System ◽  
Laboratory System ◽  
X Rays ◽  
X Ray Diffraction ◽  
X Ray ◽  
Measured Change ◽  
Non Destructive ◽  
Applied Stresses

Residual and applied stresses (σij) are often measured via X-ray diffraction, by calculating the resultant elastic strains (ϵij) from the measured change in interplanar spacing (“d”). This method is non-destructive, reasonably reproducible (typically ±14 MPa), can be carried out in the field, and is readily automated to give values to an operator-specified precision , Let Li represent the axes of the measuring system with L3 normal to the diffracting planes, and Pi represent the sample axes. These axes are illustrated in Figure 1. In what follows, primed stresses and strains are in the laboratory system, while unprimed values are in the sample system.

scholarly journals Determination of structural chirality of berlinite and quartz using resonant x-ray diffraction with circularly polarized x-rays

2010 ◽  
Vol 81 (14) ◽  
Author(s):  
Yoshikazu Tanaka ◽  
Taro Kojima ◽  
Yasutaka Takata ◽  
Ashish Chainani ◽  
Stephen W. Lovesey ◽  
...  
Keyword(s):  
X Rays ◽  
X Ray Diffraction ◽  
Circularly Polarized ◽  
X Ray

scholarly journals Multiple scattering in grazing-incidence X-ray diffraction: impact on lattice-constant determination in thin films

2016 ◽  
Vol 23 (3) ◽  
pp. 729-734 ◽  
Author(s):  
Roland Resel ◽  
Markus Bainschab ◽  
Alexander Pichler ◽  
Theo Dingemans ◽  
Clemens Simbrunner ◽  
...  
Keyword(s):  
Thin Films ◽  
Critical Angle ◽  
Grazing Incidence ◽  
X Rays ◽  
Organic Thin Film ◽  
X Ray Diffraction ◽  
Reliable Determination ◽  
X Ray ◽  
Out Of Plane

Dynamical scattering effects are observed in grazing-incidence X-ray diffraction experiments using an organic thin film of 2,2′:6′,2′′-ternaphthalene grown on oxidized silicon as substrate. Here, a splitting of all Bragg peaks in the out-of-plane direction (z-direction) has been observed, the magnitude of which depends both on the incidence angle of the primary beam and the out-of-plane angle of the scattered beam. The incident angle was varied between 0.09° and 0.25° for synchrotron radiation of 10.5 keV. This study reveals comparable intensities of the split peaks with a maximum for incidence angles close to the critical angle of total external reflection of the substrate. This observation is rationalized by two different scattering pathways resulting in diffraction peaks at different positions at the detector. In order to minimize the splitting, the data suggest either using incident angles well below the critical angle of total reflection or angles well above, which sufficiently attenuates the contributions from the second scattering path. This study highlights that the refraction of X-rays in (organic) thin films has to be corrected accordingly to allow for the determination of peak positions with sufficient accuracy. Based thereon, a reliable determination of the lattice constants becomes feasible, which is required for crystallographic structure solutions from thin films.

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