Pub Date : 2025-08-04DOI: 10.1140/epjd/s10053-025-00984-1
Klavs Hansen, D. A. García-Hernández, E. E. B. Campbell, Dogan Erbahar, Alicja Domaracka, Cornelia Jäger, C. Ewels, Polona Umek, S. Kwok, E. Peeters, J. Cami, Greg C. Sloan, P. Ehrenfreund, H. Linnartz, A. Manchado, Nick L. J. Cox, J. Bernard-Salas, E. K. Campbell, A. Monreal-Ibero, B. H. Foing, J. Smoker, M. Elyajouri, A. Ebenbichler, J. Th. van Loon, J. Bouwman, A. Farhang, F. Salama, C. Joblin, G. Mulas, U. Jacovella, M. A. Gómez-Muñoz, R. Barzaga, T. Huertas-Roldán, Hugh Mohan, Michał Bartkowski, Silvia Giordani, Gao-Lei Hou, J. J. Díaz-Luis, J. Alcolea, D. Tafoya, V. Bujarrabal, N. Došlić, T. Došlić, E. Catalano, M. Yesiltas, P. Ferrari, S. Brünken, G. Berden, J. M. Bakker, J. Oomens, B. Redlich, A. Pitanti, B. Bertoni, L. Vicarelli, P. Lamberti, M. Cojocari, G. Fedorov, Yu. Svirko, P. Kuzhir, M. Hochlaf, M. Mogren Al Mogren, Alexey Potapov, Eftal Gezer, H. Zettergren, H. T. Schmidt, Mark H. Stockett, Eleanor K. Ashworth, James N. Bull, M. Fárník, T. Wakabayashi, L. Ganner, M. Kappe, E. Gruber, C. Pardanaud, J. Dezalay, J. A. Noble, K. Tőkési, Z. Li, X. H. Zhou, J. M. Gong, R. G. Zeng, Z. J. Ding, Clayton S.-C. Yang, Feng Jin, Sudhir Trivedi, Uwe Hommerich, Laszlo Nemes, Alan C. Samuels, G. Shmavonyan, L. Misakyan, A. Shmavonyan, I. Sciriha, S. Suriyaprasanth, Dhanoj Gupta, D. A. Kalchevski, D. Trifonov, S. Kolev, T. Milenov, Miguel A. Caro, SeyedAbdolreza Sadjadi, Quentin Andrew Parker, A. Lombardi, Martin McCoustra, F. Koch, I. Schubert, C. Trautmann, M. E. Toimil-Molares, B. Kerkeni, D. Talbi, C. P. Hsu, G. Ouerfelli, H. H. Chuang, Ko-Ju Chuang, Yu-Jung Chen, E. Villaver, M. Manteiga
In this roadmap article, we consider the main challenges and recent breakthroughs in understanding the role of carbon molecular nanostructures in space and propose future avenues of research. The focus lies on small carbon-containing molecules up to fullerenes, extending to even larger, more complex organic species. The roadmap contains forty contributions from scientists with leading expertise in observational astronomy, laboratory astrophysics/chemistry, astrobiology, theoretical chemistry, synthetic chemistry, molecular reaction dynamics, material science, spectroscopy, graph theory, and data science. The concerted interdisciplinary combination of the state-of-the-art of these astronomical, laboratory, and theoretical studies opens up new ways to advance the fundamental understanding of the physics and chemistry of cosmic carbon molecular nanostructures and touches on their wider relevance and impact in nanotechnology and catalysis.
A collection of carbon atoms on the road to a fullerene
{"title":"Roadmap on carbon molecular nanostructures in space","authors":"Klavs Hansen, D. A. García-Hernández, E. E. B. Campbell, Dogan Erbahar, Alicja Domaracka, Cornelia Jäger, C. Ewels, Polona Umek, S. Kwok, E. Peeters, J. Cami, Greg C. Sloan, P. Ehrenfreund, H. Linnartz, A. Manchado, Nick L. J. Cox, J. Bernard-Salas, E. K. Campbell, A. Monreal-Ibero, B. H. Foing, J. Smoker, M. Elyajouri, A. Ebenbichler, J. Th. van Loon, J. Bouwman, A. Farhang, F. Salama, C. Joblin, G. Mulas, U. Jacovella, M. A. Gómez-Muñoz, R. Barzaga, T. Huertas-Roldán, Hugh Mohan, Michał Bartkowski, Silvia Giordani, Gao-Lei Hou, J. J. Díaz-Luis, J. Alcolea, D. Tafoya, V. Bujarrabal, N. Došlić, T. Došlić, E. Catalano, M. Yesiltas, P. Ferrari, S. Brünken, G. Berden, J. M. Bakker, J. Oomens, B. Redlich, A. Pitanti, B. Bertoni, L. Vicarelli, P. Lamberti, M. Cojocari, G. Fedorov, Yu. Svirko, P. Kuzhir, M. Hochlaf, M. Mogren Al Mogren, Alexey Potapov, Eftal Gezer, H. Zettergren, H. T. Schmidt, Mark H. Stockett, Eleanor K. Ashworth, James N. Bull, M. Fárník, T. Wakabayashi, L. Ganner, M. Kappe, E. Gruber, C. Pardanaud, J. Dezalay, J. A. Noble, K. Tőkési, Z. Li, X. H. Zhou, J. M. Gong, R. G. Zeng, Z. J. Ding, Clayton S.-C. Yang, Feng Jin, Sudhir Trivedi, Uwe Hommerich, Laszlo Nemes, Alan C. Samuels, G. Shmavonyan, L. Misakyan, A. Shmavonyan, I. Sciriha, S. Suriyaprasanth, Dhanoj Gupta, D. A. Kalchevski, D. Trifonov, S. Kolev, T. Milenov, Miguel A. Caro, SeyedAbdolreza Sadjadi, Quentin Andrew Parker, A. Lombardi, Martin McCoustra, F. Koch, I. Schubert, C. Trautmann, M. E. Toimil-Molares, B. Kerkeni, D. Talbi, C. P. Hsu, G. Ouerfelli, H. H. Chuang, Ko-Ju Chuang, Yu-Jung Chen, E. Villaver, M. Manteiga","doi":"10.1140/epjd/s10053-025-00984-1","DOIUrl":"10.1140/epjd/s10053-025-00984-1","url":null,"abstract":"<p>In this roadmap article, we consider the main challenges and recent breakthroughs in understanding the role of carbon molecular nanostructures in space and propose future avenues of research. The focus lies on small carbon-containing molecules up to fullerenes, extending to even larger, more complex organic species. The roadmap contains forty contributions from scientists with leading expertise in observational astronomy, laboratory astrophysics/chemistry, astrobiology, theoretical chemistry, synthetic chemistry, molecular reaction dynamics, material science, spectroscopy, graph theory, and data science. The concerted interdisciplinary combination of the state-of-the-art of these astronomical, laboratory, and theoretical studies opens up new ways to advance the fundamental understanding of the physics and chemistry of cosmic carbon molecular nanostructures and touches on their wider relevance and impact in nanotechnology and catalysis.</p><p>A collection of carbon atoms on the road to a fullerene </p>","PeriodicalId":789,"journal":{"name":"The European Physical Journal D","volume":"79 8","pages":""},"PeriodicalIF":1.5,"publicationDate":"2025-08-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1140/epjd/s10053-025-00984-1.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145161484","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The transition wavelengths and transition rates of (hbox {W}^{27+}), (hbox {W}^{28+}) and (hbox {W}^{29+}) ions in the 45-65 Å range have been calculated using the flexible atomic code (FAC) package based on the Dirac–Fock–Slater (DFS) method with central potential. By considering a reasonable rate equation, the charge state distributions of (hbox {W}^{27+})-(hbox {W}^{29+}) ions at different electron temperatures were investigated, and the importance of the dielectronic recombination process in the charge state equilibrium was found. In addition, the emission spectra of (hbox {W}^{27+})-(hbox {W}^{29+}) ions in the 45-65 Å in the EAST Tokamak plasma were simulated using a collisional-radiative model. The synthetic spectra show good agreement with the observed in the experiment. Finally, for the diagnostic needs of plasma, some transition pairs that can be used as diagnostic lines are proposed based on the intensity ratio of the transition pair with respect to the electron temperature and density.
{"title":"Theoretical spectroscopic analysis of (hbox {W}^{27+})-(hbox {W}^{29+}) ions using collisional-radiative modeling and relativistic atomic structure calculations","authors":"Yanlan Xu, Xiaobin Ding, Cunqiang Wu, Denghong Zhang, Ling Zhang, Fengling Zhang, Chenzhong Dong","doi":"10.1140/epjd/s10053-025-01042-6","DOIUrl":"10.1140/epjd/s10053-025-01042-6","url":null,"abstract":"<p>The transition wavelengths and transition rates of <span>(hbox {W}^{27+})</span>, <span>(hbox {W}^{28+})</span> and <span>(hbox {W}^{29+})</span> ions in the 45-65 Å range have been calculated using the flexible atomic code (FAC) package based on the Dirac–Fock–Slater (DFS) method with central potential. By considering a reasonable rate equation, the charge state distributions of <span>(hbox {W}^{27+})</span>-<span>(hbox {W}^{29+})</span> ions at different electron temperatures were investigated, and the importance of the dielectronic recombination process in the charge state equilibrium was found. In addition, the emission spectra of <span>(hbox {W}^{27+})</span>-<span>(hbox {W}^{29+})</span> ions in the 45-65 Å in the EAST Tokamak plasma were simulated using a collisional-radiative model. The synthetic spectra show good agreement with the observed in the experiment. Finally, for the diagnostic needs of plasma, some transition pairs that can be used as diagnostic lines are proposed based on the intensity ratio of the transition pair with respect to the electron temperature and density.</p>","PeriodicalId":789,"journal":{"name":"The European Physical Journal D","volume":"79 8","pages":""},"PeriodicalIF":1.5,"publicationDate":"2025-08-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145161483","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-08-04DOI: 10.1140/epjd/s10053-025-01043-5
Kamran Nazir, Tabish Qureshi
Two-photon interference is an interesting quantum phenomenon that is usually captured in two distinct types of experiments, namely the Hanbury Brown–Twiss (HBT) experiment and the Hong–Ou–Mandel (HOM) experiment. While the HBT experiment was carried out much earlier in 1956, with classical light, the demonstration of the HOM effect came much later in 1987. Unlike the former, the latter has frequently been argued to be a purely quantum effect. A generalized formulation of two-particle interference is presented here. The HOM and the quantum HBT effects emerge as special cases in the general analysis. A realizable two-particle interference experiment, which is intermediate between the two effects, is proposed and analyzed. Thus two-particle interference is shown to be a single phenomenon with various possible implementations, including the HBT and HOM setups.
In the generalized view of two-particle interference, independent particles from sources A and B are split into n common channels by the path splitter, and then arrive at detectors (D_1) to (D_n).
{"title":"A generalized formulation of two-particle interference","authors":"Kamran Nazir, Tabish Qureshi","doi":"10.1140/epjd/s10053-025-01043-5","DOIUrl":"10.1140/epjd/s10053-025-01043-5","url":null,"abstract":"<p>Two-photon interference is an interesting quantum phenomenon that is usually captured in two distinct types of experiments, namely the Hanbury Brown–Twiss (HBT) experiment and the Hong–Ou–Mandel (HOM) experiment. While the HBT experiment was carried out much earlier in 1956, with classical light, the demonstration of the HOM effect came much later in 1987. Unlike the former, the latter has frequently been argued to be a purely quantum effect. A generalized formulation of two-particle interference is presented here. The HOM and the quantum HBT effects emerge as special cases in the general analysis. A realizable two-particle interference experiment, which is intermediate between the two effects, is proposed and analyzed. Thus two-particle interference is shown to be a single phenomenon with various possible implementations, including the HBT and HOM setups.</p><p>In the generalized view of two-particle interference, independent particles from sources A and B are split into <i>n</i> common channels by the path splitter, and then arrive at detectors <span>(D_1)</span> to <span>(D_n)</span>.</p>","PeriodicalId":789,"journal":{"name":"The European Physical Journal D","volume":"79 8","pages":""},"PeriodicalIF":1.5,"publicationDate":"2025-08-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145161481","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-08-03DOI: 10.1140/epjd/s10053-025-01036-4
Martín Barlari, Diego G. Arbó, María Silvia Gravielle, Darío M. Mitnik
We present a method for accurately computing transition probabilities in one-dimensional photoionization problems. Our approach involves solving the time-dependent Schrödinger equation and projecting its solution onto scattering states that satisfy the correct incoming or outgoing boundary conditions. Conventionally, the photoelectron emission spectrum is obtained by projecting the time-evolved wave function onto the stationary continuum eigenstates of the unperturbed, time-independent Hamiltonian. However, when the spatial potential is symmetric, both the initial bound state and the final continuum states exhibit well-defined parity. The propagated wave function retains structural features of the initial bound state, including its parity. As a result, changes in the parity of the continuum states can introduce substantial variations in the projections, leading to spurious oscillations in the computed electron emission spectrum. Our method circumvents this issue by employing scattering states without defined parity. Furthermore, it enables the calculation of directional emission, making it possible to study emission asymmetries. To illustrate the capabilities of our scattering projection method, we analyze the partial differential photoionization probabilities of Al(111) metallic surfaces under short laser pulses at grazing incidence.
Photoelectron spectrum of an aluminum surface. The conventional projection method (thin brown solid line) produces a highly oscillatory spectrum. Smoothing via the standard convolution method (window operator, thick green solid line) results in over-smoothing, eliminating genuine physical oscillations that our method correctly preserves (thick red line).
{"title":"Elimination of spurious oscillations on photoemission spectra","authors":"Martín Barlari, Diego G. Arbó, María Silvia Gravielle, Darío M. Mitnik","doi":"10.1140/epjd/s10053-025-01036-4","DOIUrl":"10.1140/epjd/s10053-025-01036-4","url":null,"abstract":"<p>We present a method for accurately computing transition probabilities in one-dimensional photoionization problems. Our approach involves solving the time-dependent Schrödinger equation and projecting its solution onto scattering states that satisfy the correct incoming or outgoing boundary conditions. Conventionally, the photoelectron emission spectrum is obtained by projecting the time-evolved wave function onto the stationary continuum eigenstates of the unperturbed, time-independent Hamiltonian. However, when the spatial potential is symmetric, both the initial bound state and the final continuum states exhibit well-defined parity. The propagated wave function retains structural features of the initial bound state, including its parity. As a result, changes in the parity of the continuum states can introduce substantial variations in the projections, leading to spurious oscillations in the computed electron emission spectrum. Our method circumvents this issue by employing scattering states without defined parity. Furthermore, it enables the calculation of directional emission, making it possible to study emission asymmetries. To illustrate the capabilities of our scattering projection method, we analyze the partial differential photoionization probabilities of Al(111) metallic surfaces under short laser pulses at grazing incidence.</p><p>Photoelectron spectrum of an aluminum surface. The conventional projection method (thin brown solid line) produces a highly oscillatory spectrum. Smoothing via the standard convolution method (window operator, thick green solid line) results in over-smoothing, eliminating genuine physical oscillations that our method correctly preserves (thick red line).</p>","PeriodicalId":789,"journal":{"name":"The European Physical Journal D","volume":"79 8","pages":""},"PeriodicalIF":1.5,"publicationDate":"2025-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145161667","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
In the present work, we studied electron-assisted molecular processes for plasma feed gases, TiClx and CFx (x = 1 − 4). These radicals and their parent molecules are of great interest due to their importance for developing plasma reactors and other industrial applications. It is imminent to study charge transport for these molecules to model various phenomena involving ionization. We have calculated total ionization ((Q_{{{text{ion}}}})), elastic ((Q_{{{text{el}}}})), and total ((Q_{{{text{tot}}}})) cross sections using the quantum spherical complex optical potential (SCOP) formalism aided with the complex scattering potential–ionization contribution (CSP-ic) method. The present results are the first report for TiClx (x = 1 − 3) radicals in this work.