Spectrochimica Acta Part B: Atomic Spectroscopy最新文献

Development of a compact vacuum flat-crystal spectrometer for X-ray studies of L-shell multi-ionized atoms 用于l壳层多电离原子x射线研究的紧凑型真空平晶光谱仪的研制

IF 3.2 2区化学

Spectrochimica Acta Part B: Atomic Spectroscopy Pub Date : 2025-06-17 DOI: 10.1016/j.sab.2025.107256

W. Wang , C.J. Shao , D.Y. Yu , X.H. Cai

{"title":"Development of a compact vacuum flat-crystal spectrometer for X-ray studies of L-shell multi-ionized atoms","authors":"W. Wang , C.J. Shao , D.Y. Yu , X.H. Cai","doi":"10.1016/j.sab.2025.107256","DOIUrl":"10.1016/j.sab.2025.107256","url":null,"abstract":"<div><div>We present the development of a highly compact vacuum flat-crystal spectrometer designed for the precise analysis of X-ray spectra of <em>L</em>-shell multi-ionized atoms. The design incorporates a mathematical framework to elucidate the influence of geometrical parameters on spectral bandwidth, energy resolution, and detection efficiency.</div><div>The spectrometer operates over an energy range of 0.53–19.3 keV, achieving a single-exposure spectral bandwidth of 0.04–6.58 keV. This performance is achieved by the combination of multiple flat crystals and a design featuring linear target motion synchronized with crystal rotation, allowing Bragg angle modulation from 25° to 65°.</div><div>The spectrometer was calibrated using <em>L</em>-series X-ray generated by 10 keV electron beam interactions with a solid silver target. Comparative performance tests indicated that the resolving power of the mosaic HOPG(002) crystal exceeds 400, while the perfect Si(111) crystal approaches 500. However, the mosaic HOPG exhibited over 20 times higher detection efficiency, making it especially effective for detecting rare transitions in high-sensitivity X-ray spectroscopy.</div><div>This spectrometer offers broad applicability across diverse fields, including chemical effects on X-ray parameters, synchrotron radiation experiments, laser plasma diagnostics, and laboratory astrophysics.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"231 ","pages":"Article 107256"},"PeriodicalIF":3.2,"publicationDate":"2025-06-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144314206","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Versatile system for ion energy measurements generated by pulsed laser ionization: Insights into electron-ion dynamics 脉冲激光电离产生的离子能量测量的通用系统：洞察电子-离子动力学

IF 3.2 2区化学

Spectrochimica Acta Part B: Atomic Spectroscopy Pub Date : 2025-06-16 DOI: 10.1016/j.sab.2025.107254

Rafael Bento Serpa , Tanouir Aloui , Daniel Ross , Justin Keogh , Charles B. Parker , M. Bonner Denton , Jeffrey T. Glass , Jason J. Amsden

{"title":"Versatile system for ion energy measurements generated by pulsed laser ionization: Insights into electron-ion dynamics","authors":"Rafael Bento Serpa , Tanouir Aloui , Daniel Ross , Justin Keogh , Charles B. Parker , M. Bonner Denton , Jeffrey T. Glass , Jason J. Amsden","doi":"10.1016/j.sab.2025.107254","DOIUrl":"10.1016/j.sab.2025.107254","url":null,"abstract":"<div><div>Ion energy distributions generated by pulsed laser interactions with materials are essential for applications ranging from materials science to oncology. Ion energy characterization is particularly important for an emerging mass spectrometry technique called virtual-slit cycloidal mass spectrometry (VS-CMS). The ion energy distribution influences the design and performance of VS-CMS instruments, as well as the efficacy of laser-driven ionization methods in various fields. Several established techniques, including the retarding potential method, time-of-flight (TOF) analysis, and electrostatic energy analyzers, have been employed to measure ion energy distributions. The wide range of ion energies reported highlights the strong dependence of ion energy on laser parameters, target materials, and experimental conditions, as well as the necessity of making independent measurements of the ion energy distribution for specific laser systems and materials. This paper presents the design and characterization of a simple TOF-based apparatus for measuring ion energy distributions from pulsed laser ionization without external fields. This approach minimizes perturbation of electron-ion dynamics and enables simultaneous energy measurements at multiple spatial positions. The apparatus was tested using a nanosecond pulsed Nd:YAG laser operating at 1064 nm, 532 nm, and 266 nm on solid copper sheets at various laser fluences. Simultaneous measurements at different distances provide new insights into ion-electron interactions post-ionization and demonstrate the influence of laser wavelength and fluence on ion energy distributions.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"231 ","pages":"Article 107254"},"PeriodicalIF":3.2,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144366662","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Automated line identification for atomic spectroscopy (ALIAS): Application to LIBS imaging data processing 原子光谱线自动识别（ALIAS）：在LIBS成像数据处理中的应用

IF 3.2 2区化学

Spectrochimica Acta Part B: Atomic Spectroscopy Pub Date : 2025-06-16 DOI: 10.1016/j.sab.2025.107255

Clément Noël , Lana Neoričić , César Alvarez-Llamas , Alexandre Cugerone , Cécile Fabre , Ludovic Duponchel , Vincent Motto-Ros

{"title":"Automated line identification for atomic spectroscopy (ALIAS): Application to LIBS imaging data processing","authors":"Clément Noël , Lana Neoričić , César Alvarez-Llamas , Alexandre Cugerone , Cécile Fabre , Ludovic Duponchel , Vincent Motto-Ros","doi":"10.1016/j.sab.2025.107255","DOIUrl":"10.1016/j.sab.2025.107255","url":null,"abstract":"<div><div>Micro LIBS (laser-induced breakdown spectroscopy) imaging has experienced rapid growth in recent years, enabling the generation of increasingly large and complex datasets. One of the main challenges today lies in data processing, which can be extremely complex and time-consuming. In this article, we propose a new method for automatically identifying emission lines and associated elements in LIBS spectra. This work is part of LIBS imaging data processing, aimed at interpreting averaged spectra from various significant regions of the studied sample. The proposed methodology, named ALIAS (Automated Line Identification for Atomic Spectroscopy), operates by using multiple defined coefficient to find similarities between an acquired spectrum and a theoretical one derived from a simplified plasma model. The comprehensive methodology and the sequential stages of ALIAS—including peak detection, synthetic spectrum generation, intensity threshold determination, similarity coefficient computation, decision-making, and probabilistic assessment—are meticulously detailed. ALIAS's performance is then assessed across several real-world cases that present commonly encountered challenges. This study highlights the efficiency and robustness of the ALIAS method, facilitating a high degree of automation in data processing—an enduring bottleneck that continues to hinder the widespread adoption of LIBS-based imaging technology.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"231 ","pages":"Article 107255"},"PeriodicalIF":3.2,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144297828","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Outside Front Cover - Journal name, Cover image, Volume issue details, ISSN, Cover Date, Elsevier Logo and Society Logo if required 外部封面-期刊名称，封面图片，卷刊细节，ISSN，封面日期，爱思唯尔标志和学会标志（如果需要）

IF 3.2 2区化学

Spectrochimica Acta Part B: Atomic Spectroscopy Pub Date : 2025-06-16 DOI: 10.1016/S0584-8547(25)00128-4

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Spectrochimica Acta Part B Special Issue on the 19th international conference on total reflection X-ray fluorescence analysis and related methods (TXRF-2023) 第十九届全反射x射线荧光分析及相关方法国际会议特刊（TXRF-2023）

IF 3.2 2区化学

Spectrochimica Acta Part B: Atomic Spectroscopy Pub Date : 2025-06-12 DOI: 10.1016/j.sab.2025.107253

Ursula Elisabeth Adriane Fittschen, Joanna Kolny-Olesiak

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Resonance ionization mass spectrometry of nickel odd-parity autoionization states 镍奇宇称自电离态的共振电离质谱分析

IF 3.2 2区化学

Spectrochimica Acta Part B: Atomic Spectroscopy Pub Date : 2025-06-04 DOI: 10.1016/j.sab.2025.107249

Zhang Jun-Yao , Xiong Jing-Yi , Zhou Hong-Ru , Zhu Cai-Hua , Sun Huai-Miao , Wang Li-De , Chai Jun-Jie , Li Yun-Fei

{"title":"Resonance ionization mass spectrometry of nickel odd-parity autoionization states","authors":"Zhang Jun-Yao , Xiong Jing-Yi , Zhou Hong-Ru , Zhu Cai-Hua , Sun Huai-Miao , Wang Li-De , Chai Jun-Jie , Li Yun-Fei","doi":"10.1016/j.sab.2025.107249","DOIUrl":"10.1016/j.sab.2025.107249","url":null,"abstract":"<div><div>Efficient photoionization in isotope separation and laser ion source requires detailed characterization of autoionization states. This study presents a comprehensive investigation of nickel autoionization spectra via resonance ionization mass spectrometry (RIMS) to advance multi-color multi-step photoionization techniques. The three-color excitation scheme populates atoms into target high-lying excited states with the 3<em>d</em><sup>8</sup>4<em>s</em>(<sup>4</sup>F)5<em>s</em> configuration in the 48,000–52,050 cm<sup>−1</sup> range, followed by systematic autoionization scanning in the 64,600–68,700 cm<sup>−1</sup> range. We identified 170 odd-parity autoionization states, including 150 previously unreported states. Spurious peaks arising from unintended transitions were eliminated through cross-validation of spectra from multiple scanning pathways and λ₂-blocked experiments. Precise characterization of energy positions, peak asymmetry and full width at half-maximum (FWHM) values was determined through Fano fitting. Remarkable consistency was observed for energy positions with literature data. Angular momenta (<em>J</em>) of 161 states were assigned using Δ<em>J</em> = 0, ±1 selection rules, with the majority exhibiting <em>J</em> = 4 or 5. These states are characterized by narrow FWHM (< 1 cm<sup>−1</sup>) and significant clustering in the target energy range. The strongest transitions were characterized for enhanced photoionization cross-sections in laser isotope separation. This research substantially expands the nickel autoionization spectral database.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"231 ","pages":"Article 107249"},"PeriodicalIF":3.2,"publicationDate":"2025-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144223254","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Quantitative elemental analysis of magnesium alloys using calibration-cree femtosecond laser-ablation spark-induced breakdown spectroscopy (CF-fs-LA-SIBS) 使用校准-cree飞秒激光烧蚀火花诱导击穿光谱（CF-fs-LA-SIBS）定量分析镁合金元素

IF 3.2 2区化学

Spectrochimica Acta Part B: Atomic Spectroscopy Pub Date : 2025-06-04 DOI: 10.1016/j.sab.2025.107242

Xiaoyong He , Liwen Hu , Wanyan Cheng , Jun Quan , Yarui Wang , Hongcheng Wang

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Empirical portable x-ray fluorescence quantification limits and accuracies for 28 elements within 1942 diverse geological standards using open-source machine learning 使用开源机器学习对1942年不同地质标准中28种元素的经验便携式x射线荧光定量限制和精度

IF 3.2 2区化学

Spectrochimica Acta Part B: Atomic Spectroscopy Pub Date : 2025-06-04 DOI: 10.1016/j.sab.2025.107241

Cai R. Ytsma , M. Darby Dyar , Kate Lepore , Jane C. Watts , Josephine L. King

{"title":"Empirical portable x-ray fluorescence quantification limits and accuracies for 28 elements within 1942 diverse geological standards using open-source machine learning","authors":"Cai R. Ytsma , M. Darby Dyar , Kate Lepore , Jane C. Watts , Josephine L. King","doi":"10.1016/j.sab.2025.107241","DOIUrl":"10.1016/j.sab.2025.107241","url":null,"abstract":"<div><div>Portable X-Ray Fluorescence (pXRF) instruments are commonly used to quantify elements within materials due to their portability and quick results using a fundamental parameters approach and a data library. Results can also be customized by assembling alternative data libraries instead of the included calibrations that are typically provided with such systems. In contrast, this paper presents an alternate approach to the standard fundamental parameters (FP) protocol. We instead empirically quantify elemental abundances directly from pXRF spectra using multivariate (MVA) methods trained on 1942 geochemical standards. Prediction accuracies (RMSE-P) and limits of quantification (LOQ) are presented for six major (Al<sub>2</sub>O<sub>3</sub>, CaO, Fe<sub>2</sub>O<sub>3</sub>, MgO, SiO<sub>2</sub>, TiO<sub>2</sub>), two minor (MnO, P<sub>2</sub>O<sub>5</sub>), and 20 trace elements (As, Bi, Cr, Cu, Mo, Nb, Ni, Pb, Rb, SO<sub>3</sub>, Sn, Sr, Ta, Th, U, V, W, Y, Zn, Zr). Partial least squares (PLS) regression was chosen as the optimal MVA method from five other linear methods (ElasticNet, Ridge, OMP, PCR, LASSO). The resultant MVA models have accuracies comparable to instrument-based FP calibrations, and are more sensitive to low concentrations. This work demonstrates a powerful and adaptable open-source method for quantifying elements using XRF spectra that should be considered as a viable alternative to traditional FP approaches. The large and diverse geochemical dataset used here is made publicly available to encourage further study and combination of datasets with calibration transfer.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"231 ","pages":"Article 107241"},"PeriodicalIF":3.2,"publicationDate":"2025-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144314205","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Fate of laser-induced plasma material: Particle formation and re-deposition effects in micro-LIBS scanning applications 激光诱导等离子体材料的命运：微libs扫描应用中的粒子形成和再沉积效应

IF 3.2 2区化学

Spectrochimica Acta Part B: Atomic Spectroscopy Pub Date : 2025-05-24 DOI: 10.1016/j.sab.2025.107240

Vincent Motto-Ros , Frederic Pelascini , Marcella Dell'Aglio , Alessandro De Giacomo

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A 3-D simulation model for X-ray path length and yield variation in micro-PIXE analysis of rough surfaces 粗糙表面微pixe分析中x射线路径长度和良率变化的三维模拟模型

IF 3.2 2区化学

Spectrochimica Acta Part B: Atomic Spectroscopy Pub Date : 2025-05-24 DOI: 10.1016/j.sab.2025.107238

Ebrahim Gholami Hatam

{"title":"A 3-D simulation model for X-ray path length and yield variation in micro-PIXE analysis of rough surfaces","authors":"Ebrahim Gholami Hatam","doi":"10.1016/j.sab.2025.107238","DOIUrl":"10.1016/j.sab.2025.107238","url":null,"abstract":"<div><div>A crucial aspect of PIXE/XRF analysis is accurately modeling the behavior of emitted X-rays as they traverse the sample, significantly influencing the intensity and detectability of the X-rays. This study presents a comprehensive simulation program designed to model surface topography and calculate X-ray path lengths in 1-D, 2-D, and 3-D views of samples. The model is applied to Micro-PIXE analysis and integrates key physical parameters, including stopping power, X-ray production cross-section, photon attenuation, and local photon creation to estimate the correct X-ray intensity map. Additionally, the simulation accounts for severe surface roughness, where X-rays may exit and re-enter the sample multiple times along their trajectory toward the spectrometer. The X-ray path length and its effect on the accumulated X-ray yield are calculated on both mathematical surface topography and experimental data obtained from Micro-PIXE using a four-segment silicon drift detector (SDD), revealing a remarkable correlation that underscores the importance of detailed X-ray path length calculations. By demonstrating the impact of path length on the accumulated X-ray yield for rough surfaces of varying microscale, this approach could enhance the accuracy of X-ray intensity predictions, leading to more precise elemental composition analysis in X-ray spectroscopy techniques.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"230 ","pages":"Article 107238"},"PeriodicalIF":3.2,"publicationDate":"2025-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144147007","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0