Quantum Beam Science

19 pages, 5273 KiB

Open AccessFeature PaperReview

Review of Current Software for Analyzing Total X-ray Scattering Data from Liquids

by Leighanne C. Gallington, Stephen K. Wilke, Shinji Kohara and Chris J. Benmore

Quantum Beam Sci. 2023, 7(2), 20; https://doi.org/10.3390/qubs7020020 - 20 Jun 2023

Cited by 3 | Viewed by 2727

The popularity of the pair distribution function (PDF) analysis of X-ray total scattering data has steadily grown as access to ex situ synchrotron data has expanded. Due to the broadening of the PDF user community, there is a growing demand for software that [...] Read more.

The popularity of the pair distribution function (PDF) analysis of X-ray total scattering data has steadily grown as access to ex situ synchrotron data has expanded. Due to the broadening of the PDF user community, there is a growing demand for software that can be used to extract PDFs and is accessible to non-expert users. While user-friendly options have been developed over the past decade for fast, streamlined data analysis, care must be taken in both processing the data and understanding any limitations, especially in the case of liquids. In this review, the same scattering data are analyzed using different total X-ray scattering software, in order to compare the accuracy of the extracted structure factors and associated pair distribution functions. The goal is to assess the best practices for extracting the most accurate liquid data for each software package. The importance of absolute normalization and the application of the most appropriate corrections are emphasized via quantitative comparisons between liquid sulfur and water. Additionally, an awareness of the competing conventions used to define the PDF in crystallography and liquids/glasses is crucial for both the downstream analyses of the data and a comparison with the previous results in the literature. Full article

(This article belongs to the Special Issue Quantum Beam Science: Feature Papers 2023)

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15 pages, 4811 KiB

Open AccessArticle

Combined Use of Ultrasonic and Electromagnetic Fields for the Study of Bonding Mechanisms between Dexamethasone Disodium Phosphate Molecules

by Constantine Kouderis and Angelos G. Kalampounias

Quantum Beam Sci. 2023, 7(2), 19; https://doi.org/10.3390/qubs7020019 - 05 Jun 2023

Cited by 1 | Viewed by 1141

Abstract

We have investigated the ultrasonically induced birefringence traces of aqueous solutions of dexamethasone disodium phosphate, a derivative of hydrocortisone (cortisol). The stationary birefringence and the transient built-up and decay relaxation processes were studied as a function of solution concentration, ultrasound frequency and intensity, [...] Read more.

We have investigated the ultrasonically induced birefringence traces of aqueous solutions of dexamethasone disodium phosphate, a derivative of hydrocortisone (cortisol). The stationary birefringence and the transient built-up and decay relaxation processes were studied as a function of solution concentration, ultrasound frequency and intensity, as well as a function of temperature. The results were analyzed in view of structural peculiarities of the system in an effort to gain further insights into the molecular relaxation dynamics and the proposed self-association process occurring in the system. The detected ultrasonically induced birefringence relaxation is motivated by the rotational diffusion of dexamethasone disodium phosphate aggregates due to self-association depending on the solution concentration. The observed relaxation mechanism is directly linked to the hydrodynamic size of the acoustic field-induced self-assembly. The systematic analysis of the transient birefringence signals caused by the applied ultrasonic field allowed us to evaluate the interplay between permanent and induced dipoles with changing concentration, temperature, and ultrasound properties. The birefringence traces are adequately fitted with a stretched exponential law indicating the polydispersive nature of the self-aggregated molecular structures. The obtained results are described in the light of recent studies performed on this system. Full article

(This article belongs to the Section Spectroscopy Technique)

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15 pages, 6344 KiB

Open AccessArticle

Supervised Machine Learning for Refractive Index Structure Parameter Modeling

by Antonios Lionis, Konstantinos Peppas, Hector E. Nistazakis, Andreas Tsigopoulos, Keith Cohn and Kyle R. Drexler

Quantum Beam Sci. 2023, 7(2), 18; https://doi.org/10.3390/qubs7020018 - 01 Jun 2023

Viewed by 1420

Abstract

The Hellenic Naval Academy (HNA) reports the latest results from a medium-range, near-maritime, free-space laser-communications-testing facility, between the lighthouse of Psitalia Island and the academy’s laboratory building. The FSO link is established within the premises of Piraeus port, with a path length of [...] Read more.

The Hellenic Naval Academy (HNA) reports the latest results from a medium-range, near-maritime, free-space laser-communications-testing facility, between the lighthouse of Psitalia Island and the academy’s laboratory building. The FSO link is established within the premises of Piraeus port, with a path length of 2958 m and an average altitude of 35 m, mainly above water. Recently, the facility was upgraded through the addition of a BLS450 scintillometer, which is co-located with the MRV TS5000/155 FSO system and a WS-2000 weather station. This paper presents the preliminary optical turbulence measurements, collected from 24 to 31 of May 2022, alongside the macroscopic meteorological parameters. Four machine-learning algorithms (random forest (RF), gradient boosting regressor (GBR), single layer (ANN), and deep neural network (DNN)) were utilized for refractive-index-structural-parameter regression modeling. Additionally, another DNN was used to classify the strength level of the optical turbulence, as either strong or weak. The results showed very good prediction accuracy for all the models. Specifically, the ANN algorithm resulted in an R-squared of 0.896 and a mean square error (MSE) of 0.0834; the RF algorithm also gave a highly acceptable R-squared of 0.865 and a root mean square error (RMSE) of 0.241. The Gradient Boosting Regressor (GBR) resulted in an R-squared of 0.851 and a RMSE of 0.252 and, finally, the DNN algorithm resulted in an R-squared of 0.79 and a RMSE of 0.088. The DNN-turbulence-strength-classification model exhibited a very acceptable classification performance, given the highly variability of our target value (

C_{n}^{2}

), since we observed a predictive accuracy of 87% with the model. Full article

(This article belongs to the Special Issue Laser-Assisted Facilities)

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14 pages, 12478 KiB

Open AccessArticle

Neutralization of the Surface Charge of an Insulated Target under the Interaction of High-Energy Metal Ion Beams

by Konstantin P. Savkin, Efim M. Oks, Alexey G. Nikolaev and Georgy Yu. Yushkov

Quantum Beam Sci. 2023, 7(2), 17; https://doi.org/10.3390/qubs7020017 - 29 May 2023

Viewed by 1088

Abstract

The interaction of ion beams with dielectric materials is an urgent problem, both from the point of view of practical application in ion implantation processes and for understanding the fundamental processes of charge compensation and the effective interaction of beam ions with a [...] Read more.

The interaction of ion beams with dielectric materials is an urgent problem, both from the point of view of practical application in ion implantation processes and for understanding the fundamental processes of charge compensation and the effective interaction of beam ions with a target surface. This paper presents the results of studies of the processes of compensation of the surface charge of an insulated collector upon interaction with a beam of metal ions with energies up to 50–150 keV. At low pressure (about 10⁻⁶ torr), removing the collector from the region of extraction and beam formation makes it possible to reduce the floating potential to a value of 5–10% of the total accelerating voltage. This phenomenon allows for the efficient implantation of metal ions onto the surface of alumina ceramics. We have shown that the sheet resistance of dielectric targets depends on the material of the implanted metal ions and decreases with an increase in the implantation dose by 3–4 orders of magnitude compared with the initial value at the level of 10¹² Ω per square. Full article

(This article belongs to the Special Issue Quantum Beam Science: Feature Papers 2023)

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12 pages, 5392 KiB

Open AccessFeature PaperArticle

Scanning Three-Dimensional X-ray Diffraction Microscopy with a Spiral Slit

by Yujiro Hayashi, Daigo Setoyama, Kunio Fukuda, Katsuharu Okuda, Naoki Katayama and Hidehiko Kimura

Quantum Beam Sci. 2023, 7(2), 16; https://doi.org/10.3390/qubs7020016 - 29 May 2023

Cited by 1 | Viewed by 1422

Abstract

Recently, nondestructive evaluation of the stresses localized in grains was achieved for plastically deformed low-carbon steel using scanning three-dimensional X-ray diffraction (S3DXRD) microscopy with a conical slit. However, applicable metals and alloys were restricted to a single phase and evaluated stress was underestimated [...] Read more.

Recently, nondestructive evaluation of the stresses localized in grains was achieved for plastically deformed low-carbon steel using scanning three-dimensional X-ray diffraction (S3DXRD) microscopy with a conical slit. However, applicable metals and alloys were restricted to a single phase and evaluated stress was underestimated due to the fixed Bragg angles of the conical slit optimized to αFe. We herein propose S3DXRD with a rotating spiral slit adaptable to various metals and alloys and accurate stress evaluation with sweeping Bragg angles. Validation experiments with a 50-keV X-ray microbeam were conducted for low-carbon steel as a body-centered cubic (BCC) phase and pure Cu as a face-centered cubic (FCC) phase. As a result of orientation mapping, polygonal grain shapes and clear grain boundaries were observed for both BCC and FCC metals. Thus, it was demonstrated that S3DXRD with a rotating spiral slit will be applicable to various metals and alloys, multiphase alloys, and accurate stress evaluation using a X-ray microbeam with a higher photon energy within an energy range determined by X-ray focusing optics. In principle, this implies that S3DXRD becomes applicable to larger and thicker metal and alloy samples instead of current miniature test or wire-shaped samples if a higher-energy X-ray microbeam is available. Full article

(This article belongs to the Special Issue Analysis of Strain, Stress and Texture with Quantum Beams, 2nd Edition)

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14 pages, 6417 KiB

Open AccessArticle

Accuracy of Measuring Rebar Strain in Concrete Using a Diffractometer for Residual Stress Analysis

by Ayumu Yasue, Mayu Kawakami, Kensuke Kobayashi, Junho Kim, Yuji Miyazu, Yuhei Nishio, Tomohisa Mukai, Satoshi Morooka and Manabu Kanematsu

Quantum Beam Sci. 2023, 7(2), 15; https://doi.org/10.3390/qubs7020015 - 10 May 2023

Viewed by 1642

Abstract

Neutron diffraction is a noncontact method that can measure the rebar strain inside concrete. In this method, rebar strain and stress are calculated using the diffraction profile of neutrons irradiated during a specific time period. In general, measurement accuracy improves with the length [...] Read more.

Neutron diffraction is a noncontact method that can measure the rebar strain inside concrete. In this method, rebar strain and stress are calculated using the diffraction profile of neutrons irradiated during a specific time period. In general, measurement accuracy improves with the length of the measurement time. However, in previous studies, the measurement time was determined empirically, which makes the accuracy and reliability of the measurement results unclear. In this study, the relationship between the measurement time and the measurement standard deviation was examined for reinforced concrete specimens under different conditions. The aim was to clarify the accuracy of the measurement of rebar stress using the neutron diffraction method. It was found that if the optical setup of the neutron diffractometer and the conditions of the specimen are the same, there is a unique relationship between the diffraction intensity and the rebar stress standard deviation. Furthermore, using this unique relationship, this paper proposes a method for determining the measurement time from the allowable accuracy of the rebar stress, which ensures the accuracy of the neutron diffraction method. Full article

(This article belongs to the Special Issue Analysis of Strain, Stress and Texture with Quantum Beams, 2nd Edition)

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12 pages, 3875 KiB

Open AccessArticle

Relationship between Internal Stress Distribution and Microstructure in a Suspension-Sprayed Thermal Barrier Coating with a Columnar Structure

by Yasuhiro Yamazaki, Keisuke Shinomiya, Tadaharu Okumura, Kenji Suzuki, Takahisa Shobu and Yuiga Nakamura

Quantum Beam Sci. 2023, 7(2), 14; https://doi.org/10.3390/qubs7020014 - 03 May 2023

Viewed by 1377

Abstract

The suspension plasma spray (SPS) method is expected to become a novel coating method because it can achieve various microstructures using a suspension with submicron spray particles. Thermal barrier coatings (TBCs) with a columnar structure, which might achieve high strain tolerance, can be [...] Read more.

The suspension plasma spray (SPS) method is expected to become a novel coating method because it can achieve various microstructures using a suspension with submicron spray particles. Thermal barrier coatings (TBCs) with a columnar structure, which might achieve high strain tolerance, can be obtained using the SPS technique. This study evaluated the internal stress distribution of the suspension-plasma-sprayed thermal barrier coating (SPS-TBC) with different columnar structures using hybrid measurement using high-energy synchrotron X-ray diffraction analysis and laboratory low-energy X-rays. The relationship between the microstructure and the internal stress distribution of the SPS-TBC was discussed on the basis of the experimental results. In addition, the in-plane internal stress was decreased by decreasing the column diameter. The thin columnar microstructure of the SPS-TBC has superior strain tolerance. The internal stresses in the SPS-TBC are periodic decrements caused by stress relaxation in porous layers in its column. Full article

(This article belongs to the Special Issue Analysis of Strain, Stress and Texture with Quantum Beams, 2nd Edition)

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14 pages, 6056 KiB

Open AccessArticle

Combining XRF, Multispectral Imaging and SEM/EDS to Characterize a Contemporary Painting

by Jessica Brocchieri, Elvira Scialla, Antonio D’Onofrio and Carlo Sabbarese

Quantum Beam Sci. 2023, 7(2), 13; https://doi.org/10.3390/qubs7020013 - 20 Apr 2023

Cited by 4 | Viewed by 1702

Abstract

Diagnostic analyses on a contemporary painting on canvas were performed with X-ray fluorescence (XRF), multispectral imaging and scanning electron microscope/energy dispersive spectroscopy (SEM/EDS). The results of each method provided complementary information to deepen the knowledge of the pictorial technique. Multispectral imaging provided insight [...] Read more.

Diagnostic analyses on a contemporary painting on canvas were performed with X-ray fluorescence (XRF), multispectral imaging and scanning electron microscope/energy dispersive spectroscopy (SEM/EDS). The results of each method provided complementary information to deepen the knowledge of the pictorial technique. Multispectral imaging provided insight into the topmost layers. XRF analysis made it possible to characterize the chemical composition of some materials and pigments used by the artist. Additional information such as that relating to canvas preparation emerged with the SEM/EDS technique. The results reveal (i) the use of pre-treated industrial canvas; (ii) the preparatory layer consists of plaster covered with a primer with titanium white, zinc and lithopone; (iii) a layer of cadmium yellow ground was inserted to give depth and three-dimensionality to the painting; (iv) the absence of underlying design; (v) the characterized pigments are all contemporary and (vi) a fixative spray covers the paint. Full article

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11 pages, 3236 KiB

Open AccessFeature PaperArticle

Irradiation Temperature Dependence of Shape Elongation of Metal Nanoparticles in Silica: Counterevidence to Ion Hammering Related Scenario

by Hiroshi Amekura, Saif Ahmad Khan, Pawan Kumar Kulriya and Debdulal Kabiraj

Quantum Beam Sci. 2023, 7(2), 12; https://doi.org/10.3390/qubs7020012 - 07 Apr 2023

Viewed by 1315

Abstract

Irradiation temperature (IT) dependence of the elongation efficiency of vanadium nanoparticles (NPs) in SiO₂ was evaluated: The samples were irradiated with 120 MeV Ag⁹⁺ ions to a fluence of 1.0 × 10¹⁴ ions/cm² each at ITs of 300, 433, [...] Read more.

Irradiation temperature (IT) dependence of the elongation efficiency of vanadium nanoparticles (NPs) in SiO₂ was evaluated: The samples were irradiated with 120 MeV Ag⁹⁺ ions to a fluence of 1.0 × 10¹⁴ ions/cm² each at ITs of 300, 433, 515, and 591 K, while the measurements were performed at room temperature. The vanadium was selected for the NP species because of the highest bulk m.p. of 1910 °C (2183 K) among all the species of the elemental metal NPs in which the shape elongation was observed. The highest m.p. could contribute negligible size changes of NPs against inevitable exposure to high temperatures for the IT dependence measurements. The elongation of V NPs was evaluated qualitatively by transmission electron microscopy (TEM) and quantitatively by optical linear dichroism (OLD) spectroscopy. The electron microscopy studies showed a pronounced elongation of NPs with ion irradiation at the elevated temperatures. The OLD signal was almost constant, or even slightly increased with increasing the IT from 300 to 591 K. This IT dependence provides a striking contrast to that of the ion hammering (IH) effect, which predicts a steep decrease with increasing IT. Combined with the other two counterevidence previously reported, the IH-related effect is excluded from the origin of the shape elongation of metal NPs in SiO₂. Full article

(This article belongs to the Special Issue Quantum Beam Science: Feature Papers 2022)

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13 pages, 1001 KiB

Open AccessArticle

The Quantum Regime Operation of Beam Splitters and Interference Filters

by Andre Vatarescu

Quantum Beam Sci. 2023, 7(2), 11; https://doi.org/10.3390/qubs7020011 - 02 Apr 2023

Viewed by 1547

Abstract

The presence of quantum Rayleigh scattering, or spontaneous emission, inside a dielectric medium such as a beam splitter or an interferometric filter prevents a single photon from propagating in a straight line. Modelling a beam splitter by means of a unitary transformation is [...] Read more.

The presence of quantum Rayleigh scattering, or spontaneous emission, inside a dielectric medium such as a beam splitter or an interferometric filter prevents a single photon from propagating in a straight line. Modelling a beam splitter by means of a unitary transformation is physically meaningless because of the loss of photons. Additional missing elements from the conventional theory are the quantum Rayleigh-stimulated emission, which can form groups of photons of the same frequency, and the unavoidable parametric amplification of single photons in the original parame-tric crystal. An interference filter disturbs, through multiple internal reflections, the original stream of single photons, thereby confirming the existence of groups of photons being spread out to lengthen the coherence time. The approach of modelling individual, single measurements with probability amplitudes of a statistical ensemble leads to counterintuitive explanations of the experimental outcomes and should be replaced with pure states describing instantaneous measurements whose values are afterwards averaged. Full article

(This article belongs to the Special Issue Quantum Beam Science: Feature Papers 2023)

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Quantum Beam Sci., Volume 7, Issue 2 (June 2023) – 10 articles

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