Direct mapping of fiber diffraction patterns into reciprocal space

On the basis of the concept of Polanyi [Z. Phys.(1921),7, 149–180], the mapping of fiber diffraction patterns into reciprocal space is revisited. The result is a set of concise mapping relations that does not contain any approximations. This set permits the design of a direct method that, in principle, does not require refinement of mapping parameters even for patterns of tilted fibers. The method is unsuitable for diffuse scattering patterns. If inaccuracies of two pixels can be tolerated, a pattern is automatically mapped into reciprocal space in real time. The method is proposed for the processing of the extensive sets of patterns that are recorded in time-resolved wide-angle X-ray diffraction investigations of polymer materials.

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The 3D structure of fibrous material is fully restorable from its X-ray diffraction pattern

IUCrJ ◽

10.1107/s2052252521004760 ◽

2021 ◽

Vol 8 (4) ◽

Author(s):

Hiroyuki Iwamoto

Keyword(s):

Diffraction Pattern ◽

Fibrous Material ◽

3D Structure ◽

Wide Field ◽

Fibrous Materials ◽

X Ray Diffraction ◽

X Ray ◽

Fiber Diffraction ◽

Puzzle Solving ◽

Diffraction Patterns

X-ray fiber diffraction is potentially a powerful technique to study the structure of fibrous materials, such as DNA and synthetic polymers. However, only rotationally averaged diffraction patterns can be recorded and it is difficult to correctly interpret them without the knowledge of esoteric diffraction theories. Here we demonstrate that, in principle, the non-rotationally averaged 3D structure of a fibrous material can be restored from its fiber diffraction pattern. The method is a simple puzzle-solving process and in ideal cases it does not require any prior knowledge about the structure, such as helical symmetry. We believe that the proposed method has a potential to transform the fiber diffraction to a 3D imaging technique, and will be useful for a wide field of life and materials sciences.

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A Flow-Through Reaction Cell for Studying Minerals Leaching by In-Situ Synchrotron Powder X-ray Diffraction

Minerals ◽

10.3390/min10110990 ◽

2020 ◽

Vol 10 (11) ◽

pp. 990

Author(s):

Fatemeh Nikkhou ◽

Fang Xia ◽

Xizhi Yao ◽

Idowu A. Adegoke ◽

Qinfen Gu ◽

...

Keyword(s):

Flow Rate ◽

Pressure Leaching ◽

X Ray Diffraction ◽

Reaction Cell ◽

Time Resolved ◽

X Ray ◽

Ore Minerals ◽

Flow Through ◽

Diffraction Patterns

A flow-through reaction cell has been developed for studying minerals leaching by in-situ time-resolved powder X-ray diffraction, allowing for a better understanding of the leaching mechanisms and kinetics. The cell has the capability of independent control of temperature (up to 95 °C) and flow rate (>0.5 mL min−1) for atmospheric pressure leaching. It was successfully tested at the powder diffraction beamline at the Australian Synchrotron. Galena powder was leached in a citrate solution under flow-through condition at a flow rate of 0.5 mL min−1, while diffraction patterns were collected during the entire leaching process, showing rapid galena dissolution without the formation of secondary mineral phases. The flow-through cell can be used to study leaching processes of other ore minerals.

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Coherent convergent-beam time-resolved X-ray diffraction

Philosophical Transactions of the Royal Society B Biological Sciences ◽

10.1098/rstb.2013.0325 ◽

2014 ◽

Vol 369 (1647) ◽

pp. 20130325 ◽

Cited By ~ 12

Author(s):

John C. H. Spence ◽

Nadia A. Zatsepin ◽

Chufeng Li

Keyword(s):

Single Shot ◽

Beam Diameter ◽

X Ray Diffraction ◽

Single Particles ◽

Time Resolved ◽

X Ray ◽

Challenges And Opportunities ◽

Phase Sensitive ◽

Diffraction Patterns ◽

Convergent Beam

The use of coherent X-ray lasers for structural biology allows the use of nanometre diameter X-ray beams with large beam divergence. Their application to the structure analysis of protein nanocrystals and single particles raises new challenges and opportunities. We discuss the form of these coherent convergent-beam (CCB) hard X-ray diffraction patterns and their potential use for time-resolved crystallography, normally achieved by Laue (polychromatic) diffraction, for which the monochromatic laser radiation of a free-electron X-ray laser is unsuitable. We discuss the possibility of obtaining single-shot, angle-integrated rocking curves from CCB patterns, and the dependence of the resulting patterns on the focused beam coordinate when the beam diameter is larger or smaller than a nanocrystal, or smaller than one unit cell. We show how structure factor phase information is provided at overlapping interfering orders and how a common phase origin between different shots may be obtained. Their use in refinement of the phase-sensitive intensity between overlapping orders is suggested.

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Time-resolved X-ray diffraction at NERL

Laser and Particle Beams ◽

10.1017/s0263034601191196 ◽

2001 ◽

Vol 19 (1) ◽

pp. 125-131 ◽

Cited By ~ 3

Author(s):

KENICHI KINOSHITA ◽

HIDEKI HARANO ◽

KOJI YOSHII ◽

TAKERU OHKUBO ◽

ATSUSHI FUKASAWA ◽

...

Keyword(s):

Research Laboratory ◽

Experimental Results ◽

X Rays ◽

Nuclear Engineering ◽

X Ray Diffraction ◽

Time Resolved ◽

X Ray ◽

Engineering Research ◽

Fs Laser ◽

Diffraction Patterns

For ultrafast material analyses, we constructed the time-resolved X-ray diffraction system utilizing ultrashort X-rays from laser-produced plasma generated by the 12-TW–50-fs laser at the Nuclear Engineering Research Laboratory. Ultrafast transient changes in laser-irradiated GaAs crystals were observed as X-ray diffraction patterns. Experimental results were compared with numerical analyses.

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Synthesis Mechanisms of the Combustion Synthesis of IntermetCers Composites

Advances in Science and Technology ◽

10.4028/www.scientific.net/ast.45.1029 ◽

2006 ◽

Vol 45 ◽

pp. 1029-1034 ◽

Cited By ~ 2

Author(s):

C. Curfs ◽

A.E. Terry ◽

G.B.M. Vaughan ◽

Erich H. Kisi ◽

M.A. Rodriguez ◽

...

Keyword(s):

Combustion Synthesis ◽

Nickel Aluminide ◽

The Self ◽

Scanning Electron Micrographs ◽

X Rays ◽

X Ray Diffraction ◽

Time Resolved ◽

Combustion Modes ◽

Intermediate Phases ◽

Diffraction Patterns

Combustion synthesis techniques have been applied to an equiatomic mixture of Aluminium, Nickel, Titanium and Carbon powders in order to obtain NiAl/TiC composites. Both combustion modes have been used: the Self-propagating High-temperature mode (SHS), in which the reaction propagates through the sample under the form of a heat wave and the Thermal Explosion mode (TES), in which the reaction occurs simultaneously in the complete sample. The reactions have been followed in-situ by time-resolved diffraction, using synchrotron X-rays for the SHS mode and neutrons for the TES mode. Scanning Electron Micrographs and X-ray diffraction patterns of the final product have shown that the same final products were obtained when the mixture was synthesised under both combustion modes: a composite made of small and round TiC particles (~1 micron) embedded into a matrix of larger NiAl grains (5 microns). However, the Time-Resolved Diffraction studies have shown that, even with the same final products, the two combustion modes follow two completely different routes. Thus, for the SHS mode, the reaction is triggered by the formation of Nickel Aluminide and 3 intermediate phases are observed, and for the TES mode, the self-sustained reaction starts with the formation of Titanium Carbide and no intermediate phases have been seen.

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The Interacting Head Motif Structure does not Explain the X-Ray Diffraction Patterns from Relaxed Vertebrate Skeletal and Insect Flight Muscles

10.20944/preprints201907.0255.v1 ◽

2019 ◽

Cited By ~ 1

Author(s):

Carlo Knupp ◽

Edward Morris ◽

John M. Squire

Keyword(s):

Insect Flight ◽

Particle Analysis ◽

X Ray Diffraction ◽

Time Resolved ◽

X Ray ◽

Myosin Filaments ◽

Moderate Resolution ◽

Flight Muscles ◽

Interacting Heads Motif ◽

Diffraction Patterns

Unlike electron microscopy, which can achieve very high resolutions, but to date can only be used to study static structures, time-resolved X-ray diffraction from contracting muscles can, in principle, be used to follow the molecular movements involved in force generation on a millisecond timescale albeit at moderate resolution. However, previous X-ray diffraction studies of resting muscles have come up with structures for the head arrangements in resting myosin filaments that are different from the apparently ubiquitous interacting heads motif (IHM) found by single particle analysis of electron micrographs of isolated myosin filaments from a variety of muscle types. This head organization is supposed to represent the super-relaxed state of the myosin filaments where ATP usage is minimized. Here we have tested whether the interacting heads motif structures will satisfactorily explain the observed low-angle X-ray diffraction patterns from resting vertebrate (bony fish) and invertebrate (insect flight) muscles. We find that the interacting heads motif does not, in fact, explain what is observed. Previous X-ray models fit the observations much better. We conclude that the X-ray diffraction evidence has been well interpreted in the past and that there is more than one ordered myosin head state in resting muscle. There is, therefore, no reason to question some of the previous X-ray diffraction results on myosin filaments; time-resolved X-ray diffraction should be a reliable way to follow crossbridge action in active muscle and may be one of the few ways to follow molecular changes in myosin heads on a millisecond timescale as force is actually produced.

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Determination of depth profiles from X-ray diffraction data

Powder Diffraction ◽

10.1017/s0885715600017954 ◽

1993 ◽

Vol 8 (2) ◽

pp. 122-126 ◽

Cited By ~ 23

Author(s):

Paul Predecki

Keyword(s):

Diffraction Data ◽

Direct Method ◽

Sample Surface ◽

Data Sets ◽

X Ray Diffraction ◽

Data Set ◽

X Ray ◽

Depth Profiles ◽

A Direct Method

A direct method is described for determining depth profiles (z-profiles) of diffraction data from experimentally determined τ-profiles, where z is the depth beneath the sample surface and τ is the 1/e penetration depth of the X-ray beam. With certain assumptions, the relation between these two profile functions can be expressed in the form of a Laplace transform. The criteria for fitting experimental τ-data to functions which can be utilized by the method are described. The method was applied to two τ-data sets taken from the literature: (1) of residual strain in an A1 thin film and (2) of residual stress in a surface ground A12O3/5vol% TiC composite. For each data set, it was found that the z-profiles obtained were of two types: oscillatory and nonoscillatory. The nonoscillatory profiles appeared to be qualitatively consistent for a given data set. The oscillatory profiles were considered to be not physically realistic. For the data sets considered, the nonoscillatory z-profiles were found to lie consistently above the corresponding τ-profiles, and to approach the τ-profiles at large z, as expected from the relation between the two.

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Picosecond time-resolved X-ray diffraction from laser-shocked semiconductors

Laser and Particle Beams ◽

10.1017/s0263034604223126 ◽

2004 ◽

Vol 22 (3) ◽

pp. 285-288 ◽

Cited By ~ 2

Author(s):

KAZUTAKA G. NAKAMURA ◽

YOICHIRO HIRONAKA ◽

HIDETAKA KAWANO ◽

HIROAKI KISHIMURA ◽

KEN-ICHI KONDO

Keyword(s):

Shock Wave ◽

Wave Propagation ◽

Structural Dynamics ◽

Lattice Deformation ◽

X Rays ◽

X Ray Diffraction ◽

Time Resolved ◽

X Ray ◽

Femtosecond Laser Beam ◽

Diffraction Patterns

Ultrashort pulsed hard X rays are generated by focusing an intense femtosecond laser beam onto metal targets. Kαemissions are obtained from a Cu target. Picosecond time-resolved X-ray diffraction is performed to investigate structural dynamics of laser-shocked semiconductors using the laser plasma X-ray pulses. Lattice deformation associated with shock-wave propagation is directly observed. Evolution of strain profiles inside the crystal is determined without disturbance from the time-resolved X-ray diffraction patterns.

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Self-Propagation Low Temperature Flameless Combustion Synthesis of Ni and Al Nanoparticles: Time-Resolved XRD Study

Advances in Science and Technology ◽

10.4028/www.scientific.net/ast.91.1 ◽

2014 ◽

Vol 91 ◽

pp. 1-6

Author(s):

Yu.M. Mikhailov ◽

V.V. Aleshin ◽

A.M. Kolesnikova ◽

D.Yu. Kovalev ◽

V.I. Ponomarev

Keyword(s):

Ag Nanoparticles ◽

Cellulose Nitrate ◽

Silver Particles ◽

X Ray Diffraction ◽

Flameless Combustion ◽

Time Resolved ◽

X Ray ◽

Al Nanoparticles ◽

Xrd Study ◽

Diffraction Patterns

The combustion of cellulose nitrate (NC) in ballasted mixtures containing an organic binder and nickel hydroxycarbonate (NiOHCO3) or silver carbonate (Ag2CO3) as precursors has been found to produce Ni or Ag nanoparticles. Formation of Ni and Ag nanoparticles in the wave of flameless combustion of NC was monitored by the time-resolved X-Ray diffraction (TRXRD) method. During the formation of the Ag nanoparticles, the diffraction patterns exhibited only signals from decreasing amounts of the precursor and newly simultaneously formed 20-30 nm silver particles. It has been detected that in the systems with NiOHCO3the formation of the Ni 5-10 nm crystals proceeded via some 2-3 seconds diffraction-silent intermediate state of the whole system.

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The 3-D structure of fibrous material is fully restorable from its X-ray diffraction pattern

10.1101/2021.02.09.430379 ◽

2021 ◽

Author(s):

Hiroyuki Iwamoto

Keyword(s):

Diffraction Pattern ◽

Imaging Technique ◽

Synthetic Polymers ◽

Wide Field ◽

Fibrous Materials ◽

X Ray Diffraction ◽

X Ray ◽

Fiber Diffraction ◽

Puzzle Solving ◽

Diffraction Patterns

AbstractX-ray fiber diffraction is potentially a powerful technique to study the structure of fibrous materials, such as DNA and synthetic polymers. However, only rotationally averaged diffraction patterns can be recorded, and it is difficult to correctly interpret them without the knowledge of esoteric diffraction theories. Here we demonstrate that, in principle, the non-rotationally averaged 3-D structure of the material can be restored from its fiber diffraction pattern. The method is a simple puzzle-solving process, and in ideal cases, it does not require any prior knowledge about the structure, such as helical symmetry. We believe that the proposed method has a potential to transform the fiber diffraction to a 3-D imaging technique, and will be useful for a wide field of life and materials sciences.

Download Full-text