Quantum Beam Science最新文献_第3页

Review of Current Software for Analyzing Total X-ray Scattering Data from Liquids 液体全x射线散射数据分析软件综述

IF 1.4

Quantum Beam Science Pub Date : 2023-06-20 DOI: 10.3390/qubs7020020

L. Gallington, Stephen K. Wilke, S. Kohara, C. Benmore

{"title":"Review of Current Software for Analyzing Total X-ray Scattering Data from Liquids","authors":"L. Gallington, Stephen K. Wilke, S. Kohara, C. Benmore","doi":"10.3390/qubs7020020","DOIUrl":"https://doi.org/10.3390/qubs7020020","url":null,"abstract":"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.","PeriodicalId":31879,"journal":{"name":"Quantum Beam Science","volume":" ","pages":""},"PeriodicalIF":1.4,"publicationDate":"2023-06-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44984103","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 1

Combined Use of Ultrasonic and Electromagnetic Fields for the Study of Bonding Mechanisms between Dexamethasone Disodium Phosphate Molecules 超声和电磁场联合应用研究地塞米松磷酸二钠分子间的键合机制

Quantum Beam Science Pub Date : 2023-06-05 DOI: 10.3390/qubs7020019

Constantine Kouderis, Angelos G. Kalampounias

{"title":"Combined Use of Ultrasonic and Electromagnetic Fields for the Study of Bonding Mechanisms between Dexamethasone Disodium Phosphate Molecules","authors":"Constantine Kouderis, Angelos G. Kalampounias","doi":"10.3390/qubs7020019","DOIUrl":"https://doi.org/10.3390/qubs7020019","url":null,"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, 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.","PeriodicalId":31879,"journal":{"name":"Quantum Beam Science","volume":"22 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135657640","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 1

Supervised Machine Learning for Refractive Index Structure Parameter Modeling 折射率结构参数建模的监督机器学习

Quantum Beam Science Pub Date : 2023-06-01 DOI: 10.3390/qubs7020018

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

{"title":"Supervised Machine Learning for Refractive Index Structure Parameter Modeling","authors":"Antonios Lionis, Konstantinos Peppas, Hector E. Nistazakis, Andreas Tsigopoulos, Keith Cohn, Kyle R. Drexler","doi":"10.3390/qubs7020018","DOIUrl":"https://doi.org/10.3390/qubs7020018","url":null,"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 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 (Cn2), since we observed a predictive accuracy of 87% with the model.","PeriodicalId":31879,"journal":{"name":"Quantum Beam Science","volume":"70 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135821214","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Neutralization of the Surface Charge of an Insulated Target under the Interaction of High-Energy Metal Ion Beams 高能金属离子束作用下绝缘靶表面电荷的中和

Quantum Beam Science Pub Date : 2023-05-29 DOI: 10.3390/qubs7020017

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

引用次数: 0

Scanning Three-Dimensional X-ray Diffraction Microscopy with a Spiral Slit 螺旋缝扫描三维x射线衍射显微镜

IF 1.4

Quantum Beam Science Pub Date : 2023-05-29 DOI: 10.3390/qubs7020016

Yujiro Hayashi, D. Setoyama, Kunio Fukuda, Katsuharu Okuda, Naoki Katayama, H. Kimura

{"title":"Scanning Three-Dimensional X-ray Diffraction Microscopy with a Spiral Slit","authors":"Yujiro Hayashi, D. Setoyama, Kunio Fukuda, Katsuharu Okuda, Naoki Katayama, H. Kimura","doi":"10.3390/qubs7020016","DOIUrl":"https://doi.org/10.3390/qubs7020016","url":null,"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 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.","PeriodicalId":31879,"journal":{"name":"Quantum Beam Science","volume":" ","pages":""},"PeriodicalIF":1.4,"publicationDate":"2023-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44603678","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Accuracy of Measuring Rebar Strain in Concrete Using a Diffractometer for Residual Stress Analysis 残余应力分析用衍射仪测量混凝土中钢筋应变的精度

IF 1.4

Quantum Beam Science Pub Date : 2023-05-10 DOI: 10.3390/qubs7020015

Ayumu Yasue, Mayu Kawakami, Kensuke Kobayashi, Junho Kim, Y. Miyazu, Yuhei Nishio, T. Mukai, S. Morooka, M. Kanematsu

{"title":"Accuracy of Measuring Rebar Strain in Concrete Using a Diffractometer for Residual Stress Analysis","authors":"Ayumu Yasue, Mayu Kawakami, Kensuke Kobayashi, Junho Kim, Y. Miyazu, Yuhei Nishio, T. Mukai, S. Morooka, M. Kanematsu","doi":"10.3390/qubs7020015","DOIUrl":"https://doi.org/10.3390/qubs7020015","url":null,"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 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.","PeriodicalId":31879,"journal":{"name":"Quantum Beam Science","volume":" ","pages":""},"PeriodicalIF":1.4,"publicationDate":"2023-05-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45386364","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Relationship between Internal Stress Distribution and Microstructure in a Suspension-Sprayed Thermal Barrier Coating with a Columnar Structure 柱状结构悬浮喷涂热障涂层内部应力分布与微观结构的关系

IF 1.4

Quantum Beam Science Pub Date : 2023-05-03 DOI: 10.3390/qubs7020014

Y. Yamazaki, Keisuke Shinomiya, Tadaharu Okumura, Kenji Suzuki, T. Shobu, Yuiga Nakamura

引用次数: 0

Combining XRF, Multispectral Imaging and SEM/EDS to Characterize a Contemporary Painting 结合XRF、多光谱成像和SEM/EDS来表征当代绘画

IF 1.4

Quantum Beam Science Pub Date : 2023-04-20 DOI: 10.3390/qubs7020013

J. Brocchieri, E. Scialla, Antonio D'Onofrio, C. Sabbarese

引用次数: 2

Irradiation Temperature Dependence of Shape Elongation of Metal Nanoparticles in Silica: Counterevidence to Ion Hammering Related Scenario 二氧化硅中金属纳米颗粒形状延伸率的辐照温度依赖性：与离子锤击相关场景的反证

IF 1.4

Quantum Beam Science Pub Date : 2023-04-07 DOI: 10.3390/qubs7020012

H. Amekura, S. Khan, P. Kulriya, D. Kabiraj

{"title":"Irradiation Temperature Dependence of Shape Elongation of Metal Nanoparticles in Silica: Counterevidence to Ion Hammering Related Scenario","authors":"H. Amekura, S. Khan, P. Kulriya, D. Kabiraj","doi":"10.3390/qubs7020012","DOIUrl":"https://doi.org/10.3390/qubs7020012","url":null,"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, 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.","PeriodicalId":31879,"journal":{"name":"Quantum Beam Science","volume":" ","pages":""},"PeriodicalIF":1.4,"publicationDate":"2023-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49473413","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

The Quantum Regime Operation of Beam Splitters and Interference Filters 分束器和干涉滤光器的量子态操作

Quantum Beam Science Pub Date : 2023-04-02 DOI: 10.3390/qubs7020011

Andre Vatarescu

引用次数: 0