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Fragmentation of Multiply Charged C10H8 Isomers Produced in keV Range Proton Collision 质子碰撞中多重电荷C10H8异构体的碎片化
Atoms Pub Date : 2023-10-25 DOI: 10.3390/atoms11110138
Meloottayil V. Vinitha, Pragya Bhatt, Cholakka P. Safvan, Sarita Vig, Umesh R. Kadhane
{"title":"Fragmentation of Multiply Charged C10H8 Isomers Produced in keV Range Proton Collision","authors":"Meloottayil V. Vinitha, Pragya Bhatt, Cholakka P. Safvan, Sarita Vig, Umesh R. Kadhane","doi":"10.3390/atoms11110138","DOIUrl":"https://doi.org/10.3390/atoms11110138","url":null,"abstract":"The dissociation of multiply charged C10H8 isomers produced in fast proton collisions (velocities between 1.41 and 2.4 a.u.) is discussed in terms of their fundamental molecular dynamics, in particular the processes that produce different carbon clusters in such a collision. This aspect is assessed with the help of a multi-hit analysis of daughter ions detected in coincidence with the elimination of H+ and CHn+ (n = 0 to 3). The elimination of H+/C+ is found to be significantly different from CH3+ loss. The loss of CH3+ proceeds through a cascade of momentum-correlated dissociations with the formation of heavy ions such as C9H5+, C9H52+ and C7H3+. The structure of such large fragment ions is predicted with the help of their calculated ground state electronic energies and the multi-hit time-of-flight (ToF) correlation between the second and third hit fragments if detected. Furthermore, we report experimentally the super-dehydrogenation of naphthalene and azulene targets, with evidence of complete dehydrogenation in a single collision.","PeriodicalId":8629,"journal":{"name":"Atoms","volume":"IA-22 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135113478","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
Electron and Positron Impact Ionization of SF6-nHn(n=0-6); {SCln,SFn-1Cl(n=1-6)} and SF5X(X=CN,CFO) SF6-nHn(n=0-6)的电子与正电子碰撞电离{scn,SFn-1Cl(n=1-6)}和SF5X(X=CN,CFO)
Atoms Pub Date : 2023-10-21 DOI: 10.3390/atoms11100137
S. Suriyaprasanth, Heechol Choi, Dhanoj Gupta
{"title":"Electron and Positron Impact Ionization of SF6-nHn(n=0-6); {SCln,SFn-1Cl(n=1-6)} and SF5X(X=CN,CFO)","authors":"S. Suriyaprasanth, Heechol Choi, Dhanoj Gupta","doi":"10.3390/atoms11100137","DOIUrl":"https://doi.org/10.3390/atoms11100137","url":null,"abstract":"We have calculated the electron and positron impact ionization of a set of molecules, SF6−nHn(n=0−6), SCln(n=1−6) , SFn−1Cl(n=1−6) and SF5X(X=CN,CFO), for which there are much fewer data in the literature. We have optimized the targets, and their electric polarizability is calculated along with their orbital binding and kinetic energies within the Hartree–Fock approximation that serve as input to the Binary Encounter Bethe (BEB) model for both electron and positron ionization. Most of the targets are investigated for the first time, apart from SF6, for which we compared our data with various experimental and theoretical data, giving us a good comparison.","PeriodicalId":8629,"journal":{"name":"Atoms","volume":"117 6","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135510744","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
K-Edge Structure in Shock-Compressed Chlorinated Parylene 冲击压缩氯化聚对二甲苯的k边结构
Atoms Pub Date : 2023-10-18 DOI: 10.3390/atoms11100135
David Bailie, Steven White, Rachael Irwin, Cormac Hyland, Richard Warwick, Brendan Kettle, Nicole Breslin, Simon N. Bland, David J. Chapman, Stuart P. D. Mangles, Rory A. Baggot, Eleanor R. Tubman, David Riley
{"title":"K-Edge Structure in Shock-Compressed Chlorinated Parylene","authors":"David Bailie, Steven White, Rachael Irwin, Cormac Hyland, Richard Warwick, Brendan Kettle, Nicole Breslin, Simon N. Bland, David J. Chapman, Stuart P. D. Mangles, Rory A. Baggot, Eleanor R. Tubman, David Riley","doi":"10.3390/atoms11100135","DOIUrl":"https://doi.org/10.3390/atoms11100135","url":null,"abstract":"We have carried out a series of experiments to measure the Cl K-absorption edge for shock-compressed samples of chlorinated parylene. Colliding shocks allowed us to compress samples up to four times the initial density with temperatures up to 10 eV. Red shifts in the edge of about 10 eV have been measured. We have compared the measured shifts to analytical modelling using the Stewart–Pyatt model and adaptions of it, combined with estimates of density and temperature based on hydrodynamic modelling. Modelling of the edge position using density functional theory molecular dynamics (DFT-MD) was also used and it was found that good agreement was only achieved when the DFT simulations assumed conditions of lower temperature and slightly higher density than indicated by hydrodynamic simulations using a tabular equation of state.","PeriodicalId":8629,"journal":{"name":"Atoms","volume":"26 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135888218","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 Excitation of the 3D and 4D States of Atomic Hydrogen by Electron Impact 电子冲击对氢原子三维和四维态的激发
Atoms Pub Date : 2023-10-18 DOI: 10.3390/atoms11100136
Anand K. Bhatia
{"title":"The Excitation of the 3D and 4D States of Atomic Hydrogen by Electron Impact","authors":"Anand K. Bhatia","doi":"10.3390/atoms11100136","DOIUrl":"https://doi.org/10.3390/atoms11100136","url":null,"abstract":"The excitation cross-sections of the 3D and 4D states of atomic hydrogen at low incident energies (from 0.90 to 5.00 Ry) were calculated using the variational polarized orbital method, which is also called the hybrid theory. Up to 12 partial waves (L = 2 to 13) were used to obtain converged cross-sections at high energies. The importance of the long-range forces near the threshold region and the behavior of the cross-sections in that region are indicated. The S, P, and D cross-sections are needed if the total excitation cross-sections are measured in addition to the elastic cross-sections. These cross-sections are also useful if the cascade from the D to the P to the S states is considered in the diagnostics of solar and astrophysical observations.","PeriodicalId":8629,"journal":{"name":"Atoms","volume":"9 5 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135888898","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
Quantum-Chemical Study of the Benzene Reaction with Fluorine 苯与氟反应的量子化学研究
Atoms Pub Date : 2023-10-17 DOI: 10.3390/atoms11100132
Sergey O. Adamson, Daria D. Kharlampidi, Anastasia S. Shtyrkova, Stanislav Y. Umanskii, Yuri A. Dyakov, Igor I. Morozov, Maxim G. Golubkov
{"title":"Quantum-Chemical Study of the Benzene Reaction with Fluorine","authors":"Sergey O. Adamson, Daria D. Kharlampidi, Anastasia S. Shtyrkova, Stanislav Y. Umanskii, Yuri A. Dyakov, Igor I. Morozov, Maxim G. Golubkov","doi":"10.3390/atoms11100132","DOIUrl":"https://doi.org/10.3390/atoms11100132","url":null,"abstract":"The reaction of benzene with fluorine atoms may be of interest as a source of phenyl and ipso-fluorocyclohexadienyl radicals or as a method for fluorobenzene gas phase synthesis. The structures and electronic energies of the equilibrium configurations and transition complexes of the C6H6F system are calculated in the density functional approximation. It was found that the interaction of benzene with atomic fluorine can proceed via two channels: hydrogen abstraction with the phenyl radical formation, and hydrogen substitution with the ipso-fluorocyclohexadienyl radical as primary product. Then the dissociation of the ipso-fluorocyclohexadienyl radical leads to creation of fluorobenzene and atomic hydrogen. The initiation of this reaction requires the activation energy near 27 kcal/mol, which indicates the low probability of this process, occurring at temperatures close to the standard (298 K). The calculations of the fluorocyclohexadienyl isomers and their cations also indicate that the formation of fluorobenzene as a product of secondary reactions is unlikely. The conclusions are confirmed by experimental data.","PeriodicalId":8629,"journal":{"name":"Atoms","volume":"7 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136033454","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
Multi-Reflection Time-of-Flight Mass Spectroscopy for Superheavy Nuclides 超重核素的多反射飞行时间质谱
Atoms Pub Date : 2023-10-17 DOI: 10.3390/atoms11100134
Peter Schury, Yuta Ito, Toshitaka Niwase, Michiharu Wada
{"title":"Multi-Reflection Time-of-Flight Mass Spectroscopy for Superheavy Nuclides","authors":"Peter Schury, Yuta Ito, Toshitaka Niwase, Michiharu Wada","doi":"10.3390/atoms11100134","DOIUrl":"https://doi.org/10.3390/atoms11100134","url":null,"abstract":"The atomic masses of isotopes of elements beyond fermium, which can presently only be produced online via fusion-evaporation reactions, have until recently been determined only from α decay chains reaching nuclides with known atomic masses. Especially in the case of lower-yield nuclides, for which the sufficiently detailed nuclear spectroscopy required to fully determine the nuclear structure is not possible, such indirect mass determinations may suffer systematic errors. For many superheavy nuclides, their decay chains end in spontaneous fission or in β-decay prior to reaching nuclides of known mass. To address this dearth of accurate atomic masses, we have developed a multi-reflection time-of-flight mass spectrograph that can make use of decay-correlations to accurately and precisely determine atomic masses for the very low-yield superheavy nuclides.","PeriodicalId":8629,"journal":{"name":"Atoms","volume":"11 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136033292","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
Review of Rydberg Spectral Line Formation in Plasmas 等离子体中Rydberg谱线形成的研究进展
Atoms Pub Date : 2023-10-17 DOI: 10.3390/atoms11100133
Andrey Yu. Letunov, Valery S. Lisitsa
{"title":"Review of Rydberg Spectral Line Formation in Plasmas","authors":"Andrey Yu. Letunov, Valery S. Lisitsa","doi":"10.3390/atoms11100133","DOIUrl":"https://doi.org/10.3390/atoms11100133","url":null,"abstract":"The present review is dedicated to the problem of an array of transitions between highly-excited atomic levels. Hydrogen atoms and hydrogen-like ions in plasmas are considered here. The presented methods focus on calculation of spectral line shapes. Fast and simple methods of universal ionic profile calculation for the Hnα (Δn=1) and Hnβ (Δn=2) spectral lines are demonstrated. The universal dipole matrix elements formulas for the Hnα and Hnβ transitions are presented. A fast method for spectral line shape calculations in the presence of an external magnetic field using the formulas for universal dipole matrix elements is proposed. This approach accounts for the Doppler and Stark–Zeeman broadening mechanisms. Ion dynamics effects are treated via the frequency fluctuation model. The accuracy of the presented model is discussed. A comparison of this approach with experimental data and the results of molecular dynamics simulation is demonstrated. The kinetics equation for the populations of highly-excited ionic states is solved in the parabolic representation. The population source associated with dielectronic recombination is considered.","PeriodicalId":8629,"journal":{"name":"Atoms","volume":"25 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135994127","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
Quantum Dielectric Model for Energy Loss of Particles in Astrophysical Plasmas 天体物理等离子体中粒子能量损失的量子介电模型
Atoms Pub Date : 2023-10-16 DOI: 10.3390/atoms11100131
Claudio D. Archubi, Nestor R. Arista
{"title":"Quantum Dielectric Model for Energy Loss of Particles in Astrophysical Plasmas","authors":"Claudio D. Archubi, Nestor R. Arista","doi":"10.3390/atoms11100131","DOIUrl":"https://doi.org/10.3390/atoms11100131","url":null,"abstract":"We present the results obtained using a novel quantum approach to describe the interaction of charged particles with the astrophysical type of plasmas, based on the dielectric plasma-wave-packet model (PWPM) together with a full description of statistical effects on energy exchange processes. We use this formulation to calculate the energy loss moments for protons, positrons, and electrons traversing different stellar plasmas on a wide range of projectile velocities and plasma densities and temperatures. We consider special quantum restrictions for the cases of positrons and electrons, including relativistic corrections for high-velocity particles. We analyze and compare the results for different cases of main interest, from dilute solar-corona plasma to cases of increasing densities in the interior of the sun and in the dense regions of giant stars.","PeriodicalId":8629,"journal":{"name":"Atoms","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136112870","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
Review of the 1st EUV Light Sources Code Comparison Workshop 第一届EUV光源代码比较研讨会回顾
Atoms Pub Date : 2023-10-13 DOI: 10.3390/atoms11100130
John Sheil, Oscar Versolato, Vivek Bakshi, Howard Scott
{"title":"Review of the 1st EUV Light Sources Code Comparison Workshop","authors":"John Sheil, Oscar Versolato, Vivek Bakshi, Howard Scott","doi":"10.3390/atoms11100130","DOIUrl":"https://doi.org/10.3390/atoms11100130","url":null,"abstract":"We review the results of the 1st Extreme Ultraviolet (EUV) Light Sources Code Comparison Workshop. The goal of this workshop was to provide a platform for specialists in EUV light source plasma modeling to benchmark and validate their numerical codes using well-defined case studies. Detailed consideration of a plethora of atomic collisional and radiative processes is required for modeling EUV light source plasmas. Eight institutions spanning four countries contributed data to the workshop. Two topics were addressed, namely (i) the atomic kinetics and radiative properties of tin plasmas under EUV-generating conditions and (ii) laser absorption in a fully ionized, one-dimensional hydrogen plasma. In this paper, we summarize the key findings of the workshop and outline plans for future iterations of the code comparison activity.","PeriodicalId":8629,"journal":{"name":"Atoms","volume":"27 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135856498","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
The St. Benedict Facility: Probing Fundamental Symmetries through Mixed Mirror β-Decays 圣本笃设施:通过混合镜β衰变探测基本对称性
Atoms Pub Date : 2023-10-11 DOI: 10.3390/atoms11100129
William S. Porter, Daniel W. Bardayan, Maxime Brodeur, Daniel P. Burdette, Jason A. Clark, Aaron T. Gallant, Alicen M. Houff, James J. Kolata, Biying Liu, Patrick D. O’Malley, Caleb Quick, Fabio Rivero, Guy Savard, Adrian A. Valverde, Regan Zite
{"title":"The St. Benedict Facility: Probing Fundamental Symmetries through Mixed Mirror β-Decays","authors":"William S. Porter, Daniel W. Bardayan, Maxime Brodeur, Daniel P. Burdette, Jason A. Clark, Aaron T. Gallant, Alicen M. Houff, James J. Kolata, Biying Liu, Patrick D. O’Malley, Caleb Quick, Fabio Rivero, Guy Savard, Adrian A. Valverde, Regan Zite","doi":"10.3390/atoms11100129","DOIUrl":"https://doi.org/10.3390/atoms11100129","url":null,"abstract":"Precise measurements of nuclear beta decays provide a unique insight into the Standard Model due to their connection to the electroweak interaction. These decays help constrain the unitarity or non-unitarity of the Cabibbo–Kobayashi–Maskawa (CKM) quark mixing matrix, and can uniquely probe the existence of exotic scalar or tensor currents. Of these decays, superallowed mixed mirror transitions have been the least well-studied, in part due to the absence of data on their Fermi to Gamow-Teller mixing ratios (ρ). At the Nuclear Science Laboratory (NSL) at the University of Notre Dame, the Superallowed Transition Beta-Neutrino Decay Ion Coincidence Trap (St. Benedict) is being constructed to determine the ρ for various mirror decays via a measurement of the beta–neutrino angular correlation parameter (aβν) to a relative precision of 0.5%. In this work, we present an overview of the St. Benedict facility and the impact it will have on various Beyond the Standard Model studies, including an expanded sensitivity study of ρ for various mirror nuclei accessible to the facility. A feasibility evaluation is also presented that indicates the measurement goals for many mirror nuclei, which are currently attainable in a week of radioactive beam delivery at the NSL.","PeriodicalId":8629,"journal":{"name":"Atoms","volume":"47 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136098350","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
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