Alexey V. Verkhovtsev, Vincenzo Guidi, Nigel J. Mason, Andrey V. Solov'yov
{"title":"Topical Issue \"Dynamics of Systems on the Nanoscale (2021)\". Editorial","authors":"Alexey V. Verkhovtsev, Vincenzo Guidi, Nigel J. Mason, Andrey V. Solov'yov","doi":"arxiv-2309.02312","DOIUrl":"https://doi.org/arxiv-2309.02312","url":null,"abstract":"Exploration of the structure formation and dynamics of animate and inanimate\u0000matter on the nanometer scale is a highly interdisciplinary field of rapidly\u0000emerging research. It is relevant for various molecular and nanoscale systems\u0000of different origins and compositions and concerns numerous phenomena\u0000originating from physics, chemistry, biology, and materials science. This\u0000topical issue presents a collection of research papers devoted to different\u0000aspects of the Dynamics of Systems on the Nanoscale. Some of the contributions\u0000discuss specific applications of the research results in several modern and\u0000emerging technologies, such as controlled nanofabrication with charged particle\u0000beams or the design and practical realization of novel gamma-ray crystal-based\u0000light sources. Most works presented in this topical issue were reported at the\u0000joint Sixth International Conference \"Dynamics of Systems on the Nanoscale\" and\u0000the tenth International Symposium \"Atomic Cluster Collisions\" (DySoN-ISACC\u00002021), which were held in Santa Margherita Ligure, Italy, in October 2021.","PeriodicalId":501259,"journal":{"name":"arXiv - PHYS - Atomic and Molecular Clusters","volume":"114 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138522615","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}
Wenkai Wu, Theodoros Pavloudis, Alexey V. Verkhovtsev, Andrey V. Solov'yov, Richard E. Palmer
{"title":"Molecular dynamics simulation of nanofilament breakage in neuromorphic nanoparticle networks","authors":"Wenkai Wu, Theodoros Pavloudis, Alexey V. Verkhovtsev, Andrey V. Solov'yov, Richard E. Palmer","doi":"arxiv-2309.02282","DOIUrl":"https://doi.org/arxiv-2309.02282","url":null,"abstract":"Neuromorphic computing systems may be the future of computing and\u0000cluster-based networks are a promising architecture for the realization of\u0000these systems. The creation and dissolution of synapses between the clusters\u0000are of great importance for their function. In this work, we model the thermal\u0000breakage of a gold nanofilament located between two gold nanoparticles via\u0000molecular dynamics simulations to study on the mechanisms of neuromorphic\u0000nanoparticle-based devices. We employ simulations of Au nanowires of different\u0000lengths ($2-8$ nm), widths ($0.4-0.8$ nm) and shapes connecting two Au$_{1415}$\u0000nanoparticles (NPs) and monitor the evolution of the system via a detailed\u0000structural identification analysis. We found that atoms of the nanofilament\u0000gradually aggregate towards the clusters, causing the middle of the wire to\u0000gradually thin and then break. Most of the system remains crystalline during\u0000this process but the center is molten. The terminal NPs increase the melting\u0000point of the NWs by fixing the middle wire and act as recrystallization areas.\u0000We report a strong dependence on the width of the NWs, but also their length\u0000and structure. These results may serve as guidelines for the realization of\u0000cluster-based neuromorphic computing systems.","PeriodicalId":501259,"journal":{"name":"arXiv - PHYS - Atomic and Molecular Clusters","volume":"14 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138522625","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}
{"title":"Two-center resonant photoionization-excitation driven by combined intra- and interatomic electron correlations","authors":"S. Kim, S. Steinhäuser, A. B. Voitkiv, C. Müller","doi":"arxiv-2309.01143","DOIUrl":"https://doi.org/arxiv-2309.01143","url":null,"abstract":"Ionization-excitation of an atom induced by the absorption of a single photon\u0000in the presence of a neighbouring atom is studied. The latter is, first,\u0000resonantly photoexcited and, afterwards, transfers the excitation energy\u0000radiationlessly to the other atom, leading to its ionization with simultaneous\u0000excitation. The process relies on the combined effects of interatomic and\u0000intraatomic electron correlations. Under suitable conditions, it can dominate\u0000by several orders of magnitude over direct photoionization-excitation and even\u0000over direct photoionization. In addition, we briefly discuss another kind of\u0000two-center resonant photoionization with excitation where the ionization and\u0000residual excitation in the final state are located at different atomic sites.","PeriodicalId":501259,"journal":{"name":"arXiv - PHYS - Atomic and Molecular Clusters","volume":"78 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138522551","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}
Simon Dold, Thomas Reichenbach, Alessandro Colombo, Jakob Jordan, Ingo Barke, Patrick Behrens, Nils Bernhardt, Jonathan Correa, Stefan Düsterer, Benjamin Erk, Thomas Fennel, Linos Hecht, Andrea Heilrath, Robert Irsig, Norman Iwe, Patrice Kolb, Björn Kruse, Bruno Langbehn, Bastian Manschwetus, Philipp Marienhagen, Franklin Martinez, Karl-Heinz Meiwes Broer, Kevin Oldenburg, Christopher Passow, Christian Peltz, Mario Sauppe, Fabian Seel, Rico Mayro P. Tanyag, Rolf Treusch, Anatoli Ulmer, Saida Walz, Michael Moseler, Thomas Möller, Daniela Rupp, Bernd von Issendorff
{"title":"Melting, bubble-like expansion and explosion of superheated plasmonic nanoparticles","authors":"Simon Dold, Thomas Reichenbach, Alessandro Colombo, Jakob Jordan, Ingo Barke, Patrick Behrens, Nils Bernhardt, Jonathan Correa, Stefan Düsterer, Benjamin Erk, Thomas Fennel, Linos Hecht, Andrea Heilrath, Robert Irsig, Norman Iwe, Patrice Kolb, Björn Kruse, Bruno Langbehn, Bastian Manschwetus, Philipp Marienhagen, Franklin Martinez, Karl-Heinz Meiwes Broer, Kevin Oldenburg, Christopher Passow, Christian Peltz, Mario Sauppe, Fabian Seel, Rico Mayro P. Tanyag, Rolf Treusch, Anatoli Ulmer, Saida Walz, Michael Moseler, Thomas Möller, Daniela Rupp, Bernd von Issendorff","doi":"arxiv-2309.00433","DOIUrl":"https://doi.org/arxiv-2309.00433","url":null,"abstract":"We report on time-resolved coherent diffraction imaging of gas-phase silver\u0000nanoparticles, strongly heated via their plasmon resonance. The x-ray\u0000diffraction images reveal a broad range of phenomena for different excitation\u0000strengths, from simple melting over strong cavitation to explosive\u0000disintegration. Molecular dynamics simulations fully reproduce this behavior\u0000and show that the heating induces rather similar trajectories through the phase\u0000diagram in all cases, with the very different outcomes being due only to\u0000whether and where the stability limit of the metastable superheated liquid is\u0000crossed.","PeriodicalId":501259,"journal":{"name":"arXiv - PHYS - Atomic and Molecular Clusters","volume":"27 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138522726","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}
Lorenz Kranabetter, Henrik H. Kristensen, Areg Ghazaryan, Constant A. Schouder, Adam S. Chatterley, Paul Janssen, Frank Jensen, Robert E. Zillich, Mikhail Lemeshko, Henrik Stapelfeldt
{"title":"Nonadiabatic Laser-Induced Alignment Dynamics of Molecules on a Surface","authors":"Lorenz Kranabetter, Henrik H. Kristensen, Areg Ghazaryan, Constant A. Schouder, Adam S. Chatterley, Paul Janssen, Frank Jensen, Robert E. Zillich, Mikhail Lemeshko, Henrik Stapelfeldt","doi":"arxiv-2308.15247","DOIUrl":"https://doi.org/arxiv-2308.15247","url":null,"abstract":"We demonstrate that a sodium dimer, Na$_{2}$($1^3Sigma_{u}^+$), residing on\u0000the surface of a helium nanodroplet, can be set into rotation by a nonresonant\u00001.0 ps infrared laser pulse. The time-dependent degree of alignment measured,\u0000exhibits a periodic, gradually decreasing structure that deviates qualitatively\u0000from that expected for gas phase dimers. Comparison to alignment dynamics\u0000calculated from the time-dependent rotational Schr\"{o}dinger equation shows\u0000that the deviation is due to the alignment dependent interaction between the\u0000dimer and the droplet surface. This interaction confines the dimer to the\u0000tangential plane of the droplet surface at the point where it resides and is\u0000the reason that the observed alignment dynamics is also well-described by a 2D\u0000quantum rotor model.","PeriodicalId":501259,"journal":{"name":"arXiv - PHYS - Atomic and Molecular Clusters","volume":"73 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138522619","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}
{"title":"Laser Scheme for Doppler Cooling of the Hydroxyl Cation (OH$^+$)","authors":"Niccolò Bigagli, Daniel W. Savin, Sebastian Will","doi":"arxiv-2308.14729","DOIUrl":"https://doi.org/arxiv-2308.14729","url":null,"abstract":"We report on a cycling scheme for Doppler cooling of trapped OH$^+$ ions\u0000using transitions between the electronic ground state $X^3Sigma^-$ and the\u0000first excited triplet state $A^3Pi$. We have identified relevant transitions\u0000for photon cycling and repumping, have found that coupling into other\u0000electronic states is strongly suppressed, and have calculated the number of\u0000photon scatterings required to cool OH$^+$ to a temperature where Raman\u0000sideband cooling can take over. In contrast to the standard approach, where\u0000molecular ions are sympathetically cooled, our scheme does not require\u0000co-trapping of another species and opens the door to the creation of pure\u0000samples of cold molecular ions with potential applications in quantum\u0000information, quantum chemistry, and astrochemistry. The laser cooling scheme\u0000identified for OH$^+$ is efficient despite the absence of near-diagonal\u0000Franck-Condon factors, suggesting that broader classes of molecules and\u0000molecular ions are amenable to laser cooling than commonly assumed.","PeriodicalId":501259,"journal":{"name":"arXiv - PHYS - Atomic and Molecular Clusters","volume":"20 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138522623","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}
Kamran Ullah, Muhammad Tahir Naseem, Ozgur E. Mustecaplioglu
{"title":"Macroscopic distant magnon modes entanglement via a squeezed drive","authors":"Kamran Ullah, Muhammad Tahir Naseem, Ozgur E. Mustecaplioglu","doi":"arxiv-2308.13586","DOIUrl":"https://doi.org/arxiv-2308.13586","url":null,"abstract":"The generation of robust entanglement in quantum system arrays is a crucial\u0000aspect of realizing efficient quantum information processing. Recently, the\u0000field of quantum magnonics has garnered significant attention as a promising\u0000platform for advancing in this direction. In our proposed scheme, we utilize a\u0000one-dimensional array of coupled cavities, with each cavity housing a single\u0000yttrium iron garnet (YIG) sphere coupled to the cavity mode through magnetic\u0000dipole interaction. To induce entanglement between YIGs, we employ a squeezed\u0000vacuum drive, providing the necessary nonlinearity. Our results demonstrate the\u0000successful generation of bipartite and tripartite entanglement between distant\u0000magnon modes across the entire array, all achieved through a single control\u0000drive. Furthermore, the steady-state entanglement between magnon modes is\u0000robust against magnon dissipation rates and environment temperature. Our\u0000results may find applications of cavity-magnon arrays in quantum information\u0000processing and quantum communication systems.","PeriodicalId":501259,"journal":{"name":"arXiv - PHYS - Atomic and Molecular Clusters","volume":"15 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138522621","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}
{"title":"Comprehensive Molecular Representation from Equivariant Transformer","authors":"Nianze Tao, Hiromi Morimoto, Stefano Leoni","doi":"arxiv-2308.10752","DOIUrl":"https://doi.org/arxiv-2308.10752","url":null,"abstract":"We implement an equivariant transformer that embeds molecular net charge and\u0000spin state without additional neural network parameters. The model trained on a\u0000singlet/triplet non-correlated ce{CH2} dataset can identify different spin\u0000states and shows state-of-the-art extrapolation capability. We found that\u0000Softmax activation function utilised in the self-attention mechanism of graph\u0000networks outperformed ReLU-like functions in prediction accuracy. Additionally,\u0000increasing the attention temperature from $tau = sqrt{d}$ to $sqrt{2d}$\u0000further improved the extrapolation capability. We also purposed a weight\u0000initialisation method that sensibly accelerated the training process.","PeriodicalId":501259,"journal":{"name":"arXiv - PHYS - Atomic and Molecular Clusters","volume":"23 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138522614","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}
{"title":"Unraveling the ultrafast dynamics of thermal-energy chemical reactions","authors":"Matthew S. Robinson, Jochen Küpper","doi":"arxiv-2308.09602","DOIUrl":"https://doi.org/arxiv-2308.09602","url":null,"abstract":"In this perspective, we discuss how one can initiate, image, and disentangle\u0000the ultrafast elementary steps of thermal-energy chemical dynamics, building\u0000upon advances in technology and scientific insight. We propose that\u0000combinations of ultrashort mid-infrared laser pulses, controlled molecular\u0000species in the gas phase, and forefront imaging techniques allow to unravel the\u0000elementary steps of general-chemistry reaction processes in real time. We\u0000detail, for prototypical first reaction systems, experimental methods enabling\u0000these investigations, how to sufficiently prepare and promote gas-phase samples\u0000to thermal-energy reactive states with contemporary ultrashort mid-infrared\u0000laser systems, and how to image the initiated ultrafast chemical dynamics. The\u0000results of such experiments will clearly further our understanding of\u0000general-chemistry reaction dynamics.","PeriodicalId":501259,"journal":{"name":"arXiv - PHYS - Atomic and Molecular Clusters","volume":"65 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-08-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138522728","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}
Jiacheng Huang, Xiang Lu, Feilong Hu, Jie Long, Jiajun Tang, Lixin He, Qingbin Zhang, Pengfei Lan, Peixiang Lu
{"title":"Efficient spectral broadening and few-cycle pulse generation with multiple thin water films","authors":"Jiacheng Huang, Xiang Lu, Feilong Hu, Jie Long, Jiajun Tang, Lixin He, Qingbin Zhang, Pengfei Lan, Peixiang Lu","doi":"arxiv-2308.08845","DOIUrl":"https://doi.org/arxiv-2308.08845","url":null,"abstract":"High-energy, few-cycle laser pulses are essential for numerous applications\u0000in the fields of ultrafast optics and strong-field physics, due to their\u0000ultrafast temporal resolution and high peak intensity. In this work, different\u0000from the traditional hollow-core fibers and multiple thin solid plates, we\u0000represent the first demonstration of the octave-spanning supercontinuum\u0000broadening by utilizing multiple ultrathin liquid films (MTLFs) as the\u0000nonlinear media. The continuum covers a range from 380 to 1050 nm,\u0000corresponding to a Fourier transform limit pulse width of 2.5 fs, when 35 fs\u0000Ti:sapphire laser pulse is applied on the MTLFs. The output pulses are\u0000compressed to 3.9 fs by employing chirped mirrors. Furthermore, a continuous\u0000high-order harmonic spectrum up to the 33rd order is realized by subjecting the\u0000compressed laser pulses to interact with Kr gas. The utilization of flowing\u0000water films eliminates permanent optical damage and enables wider and stronger\u0000spectrum broadening. Therefore, this MTLFs scheme provides new solutions for\u0000the generation of highly efficient femtosecond supercontinuum and nonlinear\u0000pulse compression, with potential applications in the fields of strong-field\u0000physics and attosecond science.","PeriodicalId":501259,"journal":{"name":"arXiv - PHYS - Atomic and Molecular Clusters","volume":"27 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-08-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138522618","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}