| 1. |
- Groff II, Louis C., et al.
(författare)
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Uncertainty estimation strategies for quantitative non-targeted analysis
- 2022
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Ingår i: Analytical and Bioanalytical Chemistry. - : Springer Science and Business Media LLC. - 1618-2642 .- 1618-2650. ; 414:17, s. 4919-4933
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Tidskriftsartikel (refereegranskat)abstract
- Non-targeted analysis (NTA) methods are widely used for chemical discovery but seldom employed for quantitation due to a lack of robust methods to estimate chemical concentrations with confidence limits. Herein, we present and evaluate new statistical methods for quantitative NTA (qNTA) using high-resolution mass spectrometry (HRMS) data from EPA’s Non-Targeted Analysis Collaborative Trial (ENTACT). Experimental intensities of ENTACT analytes were observed at multiple concentrations using a semi-automated NTA workflow. Chemical concentrations and corresponding confidence limits were first estimated using traditional calibration curves. Two qNTA estimation methods were then implemented using experimental response factor (RF) data (where RF = intensity/concentration). The bounded response factor method used a non-parametric bootstrap procedure to estimate select quantiles of training set RF distributions. Quantile estimates then were applied to test set HRMS intensities to inversely estimate concentrations with confidence limits. The ionization efficiency estimation method restricted the distribution of likely RFs for each analyte using ionization efficiency predictions. Given the intended future use for chemical risk characterization, predicted upper confidence limits (protective values) were compared to known chemical concentrations. Using traditional calibration curves, 95% of upper confidence limits were within ~tenfold of the true concentrations. The error increased to ~60-fold (ESI+) and ~120-fold (ESI−) for the ionization efficiency estimation method and to ~150-fold (ESI+) and ~130-fold (ESI−) for the bounded response factor method. This work demonstrates successful implementation of confidence limit estimation strategies to support qNTA studies and marks a crucial step towards translating NTA data in a risk-based context.
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| 2. |
- Hamann, Christine, et al.
(författare)
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Competing magnetic interactions in exchange-bias-modulated films
- 2010
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Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 81:2, s. 024420-
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Tidskriftsartikel (refereegranskat)abstract
- The magnetization reversal in stripelike exchange-bias-patterned Ni81Fe19/IrMn thin films was investigated by complementary inductive and high-resolution magneto-optical magnetometry, magneto-optical Kerr microscopy, and polarized neutron reflectometry to clarify the effects of competing interfacial exchange-bias and lateral interface contributions. Structures of varying ferromagnetic layer thickness and stripe period were analyzed systematically at the frozen-in domain state of oppositely aligned stripe magnetization. For all samples the mean magnetization of the magnetic hybrid structures was found to be aligned nearly orthogonally with respect to the stripe axis and the set exchange-bias direction. Due to the interaction of interfacial coupling, exchange, and magnetostatic energy contributions, the opening angle of neighboring stripe magnetizations increases with decreasing ferromagnetic layer thickness and increasing stripe period. The experimental observations are in agreement with an earlier proposed model for designing micropatterned exchange-bias films.
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| 3. |
- Kimel, Alexey, et al.
(författare)
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The 2022 magneto-optics roadmap
- 2022
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Ingår i: Journal of Physics D. - : Institute of Physics (IOP). - 0022-3727 .- 1361-6463. ; 55:46
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Tidskriftsartikel (refereegranskat)abstract
- Magneto-optical (MO) effects, viz. magnetically induced changes in light intensity or polarization upon reflection from or transmission through a magnetic sample, were discovered over a century and a half ago. Initially they played a crucially relevant role in unveiling the fundamentals of electromagnetism and quantum mechanics. A more broad-based relevance and wide-spread use of MO methods, however, remained quite limited until the 1960s due to a lack of suitable, reliable and easy-to-operate light sources. The advent of Laser technology and the availability of other novel light sources led to an enormous expansion of MO measurement techniques and applications that continues to this day (see section 1). The here-assembled roadmap article is intended to provide a meaningful survey over many of the most relevant recent developments, advances, and emerging research directions in a rather condensed form, so that readers can easily access a significant overview about this very dynamic research field. While light source technology and other experimental developments were crucial in the establishment of today's magneto-optics, progress also relies on an ever-increasing theoretical understanding of MO effects from a quantum mechanical perspective (see section 2), as well as using electromagnetic theory and modelling approaches (see section 3) to enable quantitatively reliable predictions for ever more complex materials, metamaterials, and device geometries. The latest advances in established MO methodologies and especially the utilization of the MO Kerr effect (MOKE) are presented in sections 4 (MOKE spectroscopy), 5 (higher order MOKE effects), 6 (MOKE microscopy), 8 (high sensitivity MOKE), 9 (generalized MO ellipsometry), and 20 (Cotton–Mouton effect in two-dimensional materials). In addition, MO effects are now being investigated and utilized in spectral ranges, to which they originally seemed completely foreign, as those of synchrotron radiation x-rays (see section 14 on three-dimensional magnetic characterization and section 16 on light beams carrying orbital angular momentum) and, very recently, the terahertz (THz) regime (see section 18 on THz MOKE and section 19 on THz ellipsometry for electron paramagnetic resonance detection). Magneto-optics also demonstrates its strength in a unique way when combined with femtosecond laser pulses (see section 10 on ultrafast MOKE and section 15 on magneto-optics using x-ray free electron lasers), facilitating the very active field of time-resolved MO spectroscopy that enables investigations of phenomena like spin relaxation of non-equilibrium photoexcited carriers, transient modifications of ferromagnetic order, and photo-induced dynamic phase transitions, to name a few. Recent progress in nanoscience and nanotechnology, which is intimately linked to the achieved impressive ability to reliably fabricate materials and functional structures at the nanoscale, now enables the exploitation of strongly enhanced MO effects induced by light–matter interaction at the nanoscale (see section 12 on magnetoplasmonics and section 13 on MO metasurfaces). MO effects are also at the very heart of powerful magnetic characterization techniques like Brillouin light scattering and time-resolved pump-probe measurements for the study of spin waves (see section 7), their interactions with acoustic waves (see section 11), and ultra-sensitive magnetic field sensing applications based on nitrogen-vacancy centres in diamond (see section 17). Despite our best attempt to represent the field of magneto-optics accurately and do justice to all its novel developments and its diversity, the research area is so extensive and active that there remains great latitude in deciding what to include in an article of this sort, which in turn means that some areas might not be adequately represented here. However, we feel that the 20 sections that form this 2022 magneto-optics roadmap article, each written by experts in the field and addressing a specific subject on only two pages, provide an accurate snapshot of where this research field stands today. Correspondingly, it should act as a valuable reference point and guideline for emerging research directions in modern magneto-optics, as well as illustrate the directions this research field might take in the foreseeable future.
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| 4. |
- Roy, Pierre E., 1978-
(författare)
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On Some Properties and Applications of Patterned Ferromagnetic Thin Films
- 2006
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Doktorsavhandling (övrigt vetenskapligt/konstnärligt)abstract
- A microwave reflection method has been used to measure the spin excitations corresponding to the translational mode of magnetic vortices in samples containing either one or two vortices. Experimental findings are complemented by micromagnetic simulations. One-vortex systems are investigated in micron-sized circular and elliptical cylinders. For ellipses, the resonance frequency can effectively be tuned by applying static magnetic fields and the field dependence of the frequency is significant for fields applied along the short axes but negligible when applied along the long axes of the ellipses. This is contrary to the circular case, where virtually no field dependence was found. This can be understood by considering the shape of the vortex potential well. Further, it is found that the resonance frequency is independent on the direction of the excitation field for the one-vortex systems. Ellipses containing two interacting vortices are also investigated. It is shown that the relative vortex core polarizations dominate the vortex translational mode and cause, in the case of opposite polarizations, a dependence on the excitation field direction. For parallel core polarizations, no dependence on the excitation field direction is found. The dependence of the resonance frequencies on applied static fields along the long and short axes are also experimentally mapped out and compared with micromagnetic simulations, where the possible eigenmodes are determined. Another section of the thesis introduces the dawning of a device based on patterned magnetic elliptical elements for the manipulation and movement of magnetic particles on a surface. The controlled movement and separation of individual particles are successfully demonstrated. Contributions to micromagnetic standard problems and simulations on magnetization switching in nanoscale particles have also been performed. The standard problems highlight some important aspects of choosing the discretization cell sizes and the finite temperature simulations show that thermal fluctuations can alter the magnetization reversal paths.
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