arXiv subjects

Søren Schmidt

Publications and source records attributed to Søren Schmidt.

12 recordsLinked to original sources

arXiv2024

Minimal Acquisition Time Polarized Neutron Imaging of Current Induced Magnetic Fields in Superconducting Multifilamentary YBCO Tape

In this paper we showcase the strengths of polarized neutron imaging as a magnetic imaging technique through a case study on field-cooled multifilamentary YBCO tape carrying a transport current while containing a trapped magnetic field. The measurements were done at J-PARC's RADEN beamline, measuring a radiograph of a single polarization component, to showcase the analysis potential with minimal acquisition time. Regions of internal damage are easily and accurately identified as the technique probes the internal magnetic field of the sample, thereby avoiding surface-smearing effects. Quantitative measurements of the integrated field strength in various regions are acquired using time-of-flight information. Finally, we estimate the strength of the screening currents in the superconductor during the experiment by simulating an experiment with a model sample and comparing it to the experimental data. With this, we show that polarized neutron imaging is not only a useful tool for investigating magnetic structures but also for investigating samples carrying currents.

cond-mat.mtrl-sci↗

arXiv2024

Concurrent operando neutron imaging and diffraction analysis revealing spatial lithiation phase evolution in an ultra-thick graphite electrode

Energy efficient, safe and reliable Li-ion batteries (LIBs) are required for a wide range of applications. Charging capabilities of thick electrodes still holding their stored high-energy is a most desirable characteristic in future advanced LIBs. The introduction of ultra-thick graphite anode meets limitations in internal electrode transport properties, leading to Li-ion gradients with detrimental consequences for battery cell performance and lifetime. Yet, there is a lack of experimental tools capable of providing a complete view of local processes and evolving gradients within such thick electrodes. Here, we introduce a multi-modal operando measurement approach, enabling quantitative spatio-temporal observations of Li concentrations and intercalation phases in ultra-thick, graphite electrodes. Neutron imaging and diffraction concurrently provide correlated information from the macroscopic scale of the cell and electrode down to the crystallographic scale portraying the intercalation and deintercalation processes. In particular, the evolving formation of the solid electrolyte interphase (SEI), observation of gradients in total lithium content, as well as in the formation of ordered LixC6 phases and trapped lithium have been mapped throughout the first charge-discharge cycle of the cell. Different lithiation stages co-exist during charging and discharging of an ultra-thick composite graphite-based electrode; delayed lithiation and delithiation processes are observed at the central region of the electrode, while the SEI formation, potential plating and dead lithium are predominantly found closer to the interface with the separator. The study furthermore emphasizes the potential of the method to study Li ion diffusion and the kinetics of lithiation phase formation in advanced ultra-thick electrodes.

cond-mat.mtrl-sci↗

arXiv2022

Revisiting neutron propagation-based phase contrast imaging and tomography: use of phase retrieval to amplify the effective degree of brilliance

Propagation-based neutron phase-contrast tomography was demonstrated using the ISIS pulsed spallation source. The proof-of-concept tomogram with Paganin-type phase-retrieval filter applied exhibited an effective net boost of $23\pm 1$ in the signal-to-noise ratio as compared to an attenuation-based tomogram, implying a boost in the effective degree of neutron brilliance of over two orders of magnitude. This comparison is for phase retrieval versus conventional absorption with no additional collimation in place. Expressions are provided for the optimal phase-contrast geometry as well as conditions for the validity of the method. The underpinning theory is derived under the assumption of the sample being composed of a single material. The effective boost in brilliance may be employed to give reduced acquisition time, or may instead be used to keep exposure times fixed while improving the measured contrast.

eess.IV↗

arXiv2022

Polychromatic neutron phase contrast imaging of weakly absorbing samples enabled by phase retrieval

We demonstrate the use of a phase retrieval technique for propagation-based phase contrast neutron imaging with a polychromatic beam. This enables imaging samples with low absorption contrast and/or improving the signal-to-noise ratio to facilitate e.g. time resolved measurements. A metal sample, designed to be close to a pure phase object, and a bone sample with canals partially filled with D2O were used for demonstrating the technique. These samples were imaged with a polychromatic neutron beam followed by phase retrieval. For both samples the signal-to-noise ratio were significantly improved and in case of the bone sample, the phase retrieval allowed for separation of bone and D2O, which is important for example for in situ flow experiments. The use of deuteration-contrast avoids the use of chemical contrast enhancement and makes neutron imaging an interesting complementary method to X-ray imaging of bone.

physics.med-ph↗

arXiv2022

Recovering the second moment of the strain distribution from neutron Bragg edge data

Point by point strain scanning is often used to map the residual stress (strain) in engineering materials and components. However, the gauge volume and hence spatial resolution is limited by the beam defining apertures and can be anisotropic for very low and high diffraction (scattering) angles. Alternatively, wavelength resolved neutron transmission imaging has a potential to retrieve information tomographically about residual strain induced within materials through measurement in transmission of Bragg edges - crystallographic fingerprints whose locations and shapes depend on microstructure and strain distribution. In such a case the spatial resolution is determined by the geometrical blurring of the measurement setup and the detector point spread function. Mathematically, reconstruction of strain tensor field is described by the longitudinal ray transform; this transform has a non-trivial null-space, making direct inversion impossible. A combination of the longitudinal ray transform with physical constraints was used to reconstruct strain tensor fields in convex objects. To relax physical constraints and generalise reconstruction, a recently introduced concept of histogram tomography can be employed. Histogram tomography relies on our ability to resolve the distribution of strain in the beam direction, as we discuss in the paper. More specifically, Bragg edge strain tomography requires extraction of the second moment (variance about zero) of the strain distribution which has not yet been demonstrated in practice. In this paper we verify experimentally that the second moment can be reliably measured for a previously well characterised aluminium ring and plug sample. We compare experimental measurements against numerical calculation and further support our conclusions by rigorous uncertainty quantification of the estimated mean and variance of the strain distribution.

cond-mat.mtrl-sci↗

arXiv2021

A multimodal operando neutron study of the phase evolution in a graphite electrode

Obtaining a complete picture of local processes still poses a significant challenge in battery research. Here we demonstrate an in-situ combination of multimodal neutron imaging with neutron diffraction for spatially resolved operando observations of the lithiation-delithiation of a graphite electrode in a Li-ion battery cell. Throughout the lithiation-delithiation process we image the Li distribution based on the local beam attenuation. Simultaneously, we observe the development of the lithiated graphite phases as a function of cycling time and electrode thickness and integral throughout its volume by diffraction contrast imaging and diffraction, respectively. While the conventional imaging data allows to observe the Li uptake in graphite already during the formation of the solid electrolyte interphase, diffraction indicates the onset and development of the Li insertion/extraction globally, which supports the local structural transformation observations by diffraction contrast imaging.

cond-mat.mtrl-sci↗

arXiv2019

Polarimetric Neutron Tomography of Magnetic Fields: Uniqueness of Solution and Reconstruction

We consider the problem of determination of a magnetic field from three dimensional polarimetric neutron tomography data. We see that this is an example of a non-Abelian ray transform and that the problem has a globally unique solution for smooth magnetic fields with compact support, and a locally unique solution for less smooth fields. We derive the linearization of the problem and note that the derivative is injective. We go on to show that the linearised problem about a zero magnetic field reduces to plane Radon transforms and suggest a modified Newton Kantarovich method (MNKM) type algorithm for the numerical solution of the non-linear problem, in which the forward problem is re-solved but the same derivative used each time. Numerical experiments demonstrate that MNKM works for small enough fields (or large enough velocities) and show an example where it fails to reconstruct a slice of the simulated data set. Lastly we show viewed as an optimization problem the inverse problem is non-convex so we expect gradient based methods may fail.

math.AP↗

arXiv2019

Laue three dimensional neutron diffraction

This article presents a measurement technique and data analysis tool to perform 3D grain distribution mapping and indexing of oligocrystalline samples using neutrons: Laue three-dimensional neutron diffraction (Laue3DND). The approach builds on forward modelling used for correlation and multiple fitting of the measured diffraction spots relative to individual grains.This enables not only to identify individual grains, but also their position and orientation in the sample. The feasibility and performance of the Laue3DND approach are tested using multi-grain synthetic datasets from cubic (α-Fe) and tetragonal(YBaCuFeO5) symmetries. Next, experimental results from two data sets measured at the FALCON instrument of Helmholtz-Zentrum Berlin are presented: A cylindrical alpha iron (α-Fe) reference sample with 5 mm diameter and 5 mm height, as well as a 2 mm3 layered perovskite (YBaCuFeO5). Using Laue3DND, we were able to retrieve the position and orientation of 97 out of 100 grains from a syntheticα-Fe data set, as well as 24 and 9 grains respectively from theα-Fe and YBaCuFeO5 sample measured at FALCON. Results from the synthetic tests also indicate that Laue3DND is capable of indexing 10 out of 10 grains for both symmetries in two extreme scenarios: using only 6 Laue projections and using 360 projections with extremely noisy data. The precision achieved in terms of spatial and orientation resolution for the current version of the method is 430μm and 1 degree respectively. Based on these results obtained, we are confident to present a tool that expands the capabilities of standard Laue diffraction, providing the number, position, orientation and relative size of grains in oligocrystalline samples.

cond-mat.mtrl-sci↗

arXiv2018

Three Dimensional Polarimetric Neutron Tomography of Magnetic Fields

Through the use of Time-of-Flight Three Dimensional Polarimetric Neutron Tomography (ToF 3DPNT) we have for the first time successfully demonstrated a technique capable of measuring and reconstructing three dimensional magnetic field strengths and directions unobtrusively and non-destructively with the potential to probe the interior of bulk samples which is not amenable otherwise. Using a pioneering polarimetric set-up for ToF neutron instrumentation in combination with a newly developed tailored reconstruction algorithm, the magnetic field generated by a current carrying solenoid has been measured and reconstructed, thereby providing the proof-of-principle of a technique able to reveal hitherto unobtainable information on the magnetic fields in the bulk of materials and devices, due to a high degree of penetration into many materials, including metals, and the sensitivity of neutron polarisation to magnetic fields. The technique puts the potential of the ToF time structure of pulsed neutron sources to full use in order to optimise the recorded information quality and reduce measurement time.

physics.ins-det↗

arXiv2017

Improved Orientation Sampling for Indexing Diffraction Patterns of Polycrystalline Materials

Orientation mapping is a widely used technique for revealing the microstructure of a polycrystalline sample. The crystalline orientation at each point in the sample is determined by analysis of the diffraction pattern, a process known as pattern indexing. A recent development in pattern indexing is the use of a brute-force approach, whereby diffraction patterns are simulated for a large number of crystalline orientations, and compared against the experimentally observed diffraction pattern in order to determine the most likely orientation. Whilst this method can robust identify orientations in the presence of noise, it has very high computational requirements. In this article, the computational burden is reduced by developing a method for nearly-optimal sampling of orientations. By using the quaternion representation of orientations, it is shown that the optimal sampling problem is equivalent to that of optimally distributing points on a four-dimensional sphere. In doing so, the number of orientation samples needed to achieve a indexing desired accuracy is significantly reduced. Orientation sets at a range of sizes are generated in this way for all Laue groups, and are made available online for easy use.

math-ph↗

arXiv2017

Time-of-Flight Three Dimensional Neutron Diffraction in Transmission Mode for Mapping Crystal Grain Structures

The physical properties of polycrystalline materials depend on their microstructure, which is the nano-to-centimeter-scale arrangement of phases and defects in their interior. Such microstructure depends on the shape, crystallographic phase and orientation, and interfacing of the grains constituting the material. This article presents a new non-destructive 3D technique to study bulk samples with sizes in the cm range with a resolution of hundred micrometers: time-of-flight three-dimensional neutron diffraction (ToF 3DND). Compared to existing analogous X-ray diffraction techniques, ToF 3DND enables studies of samples that can be both larger in size and made of heavier elements. Moreover, ToF 3DND facilitates the use of complicated sample environments. The basic ToF 3DND setup, utilizing an imaging detector with high spatial and temporal resolution, can easily be implemented at a time-of-flight neutron beamline. The technique was developed and tested with data collected at the Materials and Life Science Experimental Facility of the Japan Proton Accelerator Complex (J-PARC) for an iron sample. We successfully reconstructed the shape of 108 grains and developed an indexing procedure. The reconstruction algorithms have been validated by reconstructing two stacked Co-Ni-Ga single crystals and by comparison with a grain map obtained by post-mortem electron backscatter diffraction (EBSD).

physics.ins-det↗

arXiv2016

Robust Structural Identification via Polyhedral Template Matching

Successful scientific applications of large-scale molecular dynamics often rely on automated methods for identifying the local crystalline structure of condensed phases. Many existing methods for structural identification, such as Common Neighbour Analysis, rely on interatomic distances (or thresholds thereof) to classify atomic structure. As a consequence they are sensitive to strain and thermal displacements, and preprocessing such as quenching or temporal averaging of the atomic positions is necessary to provide reliable identifications. We propose a new method, Polyhedral Template Matching (PTM), which classifies structures according to the topology of the local atomic environment, without any ambiguity in the classification, and with greater reliability than e.g. Common Neighbour Analysis in the presence of thermal fluctuations. We demonstrate that the method can reliably be used to identify structures even in simulations near the melting point, and that it can identify the most common ordered alloy structures as well. In addition, the method makes it easy to identify the local lattice orientation in polycrystalline samples, and to calculate the local strain tensor. An implementation is made available under a Free and Open Source Software license.

cond-mat.mtrl-sci↗