X-ray Micro Laue Diffraction and Neutron Diffraction Analysis of Residual Elastic Strains in a 1% Uniaxial Tensile Tested Nickel Alloy 600 Sample

2008 ◽  
Vol 1137 ◽  
Author(s):  
Jing Chao ◽  
Alison Mark ◽  
Marina Lynn Suominen Fuller ◽  
Rozaliya Barabash ◽  
N. Stewart McIntyre ◽  
...  
Keyword(s):  
Neutron Diffraction ◽  
Nickel Alloy ◽  
Diffraction Data ◽  
Elastic Strain ◽  
Strain Tensor ◽  
Uniaxial Tensile ◽  
Alloy 600 ◽  
Laue Diffraction ◽  
X Ray ◽  
Uniaxial Tensile Stress

AbstractThe magnitude and distribution of elastic strain for a nickel alloy 600 (A600) sample that had been subjected to uniaxial tensile stress were measured by micro Laue diffraction (MLD) and neutron diffraction techniques. For a sample that had been dimensionally strained by 1%, both MLD and neutron diffraction data indicated that the global residual elastic strain was on the order of 10−4, however the micro-diffraction data indicated considerable grain-to-grain variability amongst individual components of the residual strain tensor. A more precise comparison was done by finding those grains in the MLD map that had appropriate <hkl> oriented in the specific directions matching those used in the neutron measurements and the strains were found to agree within the uncertainty. Large variations in strain values across the grains were noted during the MLD measurements which are reflected in the uncertainties. This is a possible explanation for the large uncertainty in the average strains measured from multiple grains during neutron diffraction.

scholarly journals Single-shot full strain tensor determination with microbeam X-ray Laue diffraction and a two-dimensional energy-dispersive detector

2017 ◽  
Vol 50 (3) ◽  
pp. 901-908 ◽  
Author(s):  
A. Abboud ◽  
C. Kirchlechner ◽  
J. Keckes ◽  
T. Conka Nurdan ◽  
S. Send ◽  
...  
Keyword(s):  
Elastic Strain ◽  
Strain Tensor ◽  
Energy Dispersive ◽  
Single Shot ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
Laue Diffraction ◽  
Experimental Procedure ◽  
X Ray ◽  
Diffraction Patterns

The full strain and stress tensor determination in a triaxially stressed single crystal using X-ray diffraction requires a series of lattice spacing measurements at different crystal orientations. This can be achieved using a tunable X-ray source. This article reports on a novel experimental procedure for single-shot full strain tensor determination using polychromatic synchrotron radiation with an energy range from 5 to 23 keV. Microbeam X-ray Laue diffraction patterns were collected from a copper micro-bending beam along the central axis (centroid of the cross section). Taking advantage of a two-dimensional energy-dispersive X-ray detector (pnCCD), the position and energy of the collected Laue spots were measured for multiple positions on the sample, allowing the measurement of variations in the local microstructure. At the same time, both the deviatoric and hydrostatic components of the elastic strain and stress tensors were calculated.

Design of a novel Peltier-based cooling device and its use in neutron diffraction data collection of perdeuterated yeast pyrophosphatase

2010 ◽  
Vol 43 (5) ◽  
pp. 1113-1120 ◽  
Author(s):  
Esko Oksanen ◽  
François Dauvergne ◽  
Adrian Goldman ◽  
Monika Budayova-Spano
Keyword(s):  
Data Collection ◽  
Neutron Diffraction ◽  
Diffraction Data ◽  
Catalytic Mechanism ◽  
Inorganic Pyrophosphatase ◽  
Neutron Diffraction Data ◽  
Cooling Device ◽  
Data Set ◽  
X Ray ◽  
X Ray Crystallography

H atoms play a central role in enzymatic mechanisms, but H-atom positions cannot generally be determined by X-ray crystallography. Neutron crystallography, on the other hand, can be used to determine H-atom positions but it is experimentally very challenging. Yeast inorganic pyrophosphatase (PPase) is an essential enzyme that has been studied extensively by X-ray crystallography, yet the details of the catalytic mechanism remain incompletely understood. The temperature instability of PPase crystals has in the past prevented the collection of a neutron diffraction data set. This paper reports how the crystal growth has been optimized in temperature-controlled conditions. To stabilize the crystals during neutron data collection a Peltier cooling device that minimizes the temperature gradient along the capillary has been developed. This device allowed the collection of a full neutron diffraction data set.

scholarly journals Accurate H-atom parameters for the two polymorphs of L-histidine at 5, 105 and 295 K

2021 ◽  
Vol 77 (5) ◽  
pp. 785-800
Author(s):  
Giulia Novelli ◽  
Charles J. McMonagle ◽  
Florian Kleemiss ◽  
Michael Probert ◽  
Horst Puschmann ◽  
...  
Keyword(s):  
Neutron Diffraction ◽  
Single Crystal ◽  
Diffraction Data ◽  
Crystal Packing ◽  
Basis Sets ◽  
X Ray Diffraction ◽  
X Ray ◽  
Refinement Method ◽  
Primary Amino ◽  
Precision And Accuracy

The crystal structure of the monoclinic polymorph of the primary amino acid L-histidine has been determined for the first time by single-crystal neutron diffraction, while that of the orthorhombic polymorph has been reinvestigated with an untwinned crystal, improving the experimental precision and accuracy. For each polymorph, neutron diffraction data were collected at 5, 105 and 295 K. Single-crystal X-ray diffraction experiments were also performed at the same temperatures. The two polymorphs, whose crystal packing is interpreted by intermolecular interaction energies calculated using the Pixel method, show differences in the energy and geometry of the hydrogen bond formed along the c direction. Taking advantage of the X-ray diffraction data collected at 5 K, the precision and accuracy of the new Hirshfeld atom refinement method implemented in NoSpherA2 were probed choosing various settings of the functionals and basis sets, together with the use of explicit clusters of molecules and enhanced rigid-body restraints for H atoms. Equivalent atomic coordinates and anisotropic displacement parameters were compared and found to agree well with those obtained from the corresponding neutron structural models.

Submicrometre-resolution polychromatic three-dimensional X-ray microscopy

2012 ◽  
Vol 46 (1) ◽  
pp. 153-164 ◽  
Author(s):  
B. C. Larson ◽  
L. E. Levine
Keyword(s):  
Spatial Resolution ◽  
Elastic Strain ◽  
Strain Tensor ◽  
Three Dimensional ◽  
Direct Determination ◽  
Phase Identification ◽  
Sn Whisker ◽  
X Ray ◽  
Elastic Strain Tensor

The ability to study the structure, microstructure and evolution of materials with increasing spatial resolution is fundamental to achieving a full understanding of the underlying science of materials. Polychromatic three-dimensional X-ray microscopy (3DXM) is a recently developed nondestructive diffraction technique that enables crystallographic phase identification, determination of local crystal orientations, grain morphologies, grain interface types and orientations, and in favorable cases direct determination of the deviatoric elastic strain tensor with submicrometre spatial resolution in all three dimensions. With the added capability of an energy-scanning incident beam monochromator, the determination of absolute lattice parameters is enabled, allowing specification of the complete elastic strain tensor with three-dimensional spatial resolution. The methods associated with 3DXM are described and key applications of 3DXM are discussed, including studies of deformation in single-crystal and polycrystalline metals and semiconductors, indentation deformation, thermal grain growth in polycrystalline aluminium, the metal–insulator transition in nanoplatelet VO2, interface strengths in metal–matrix composites, high-pressure science, Sn whisker growth, and electromigration processes. Finally, the outlook for future developments associated with this technique is described.

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