Progress in the Understanding of Liquids Dynamics via a General Theory of Correlation Functions
This work provides a comprehensive picture of the advances that the exponential expansion theory (EET) of autocorrelation functions relevant to liquids dynamics made possible in the last decade up to very recent times. The role of both longitudinal and transverse collective excitations in liquids is...
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| Format: | Article |
| Language: | English |
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MDPI AG
2025-03-01
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| Series: | Liquids |
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| Online Access: | https://www.mdpi.com/2673-8015/5/2/9 |
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| author | Eleonora Guarini Ubaldo Bafile Daniele Colognesi Alessandro Cunsolo Alessio De Francesco Ferdinando Formisano |
| author_facet | Eleonora Guarini Ubaldo Bafile Daniele Colognesi Alessandro Cunsolo Alessio De Francesco Ferdinando Formisano |
| author_sort | Eleonora Guarini |
| collection | DOAJ |
| description | This work provides a comprehensive picture of the advances that the exponential expansion theory (EET) of autocorrelation functions relevant to liquids dynamics made possible in the last decade up to very recent times. The role of both longitudinal and transverse collective excitations in liquids is investigated by studying the main autocorrelation functions typically obtained either experimentally (when possible) or through molecular dynamics simulations. Examples for some classes of liquids are provided, especially intended for the understanding of dispersion curves, i.e., the collective mode frequencies as a function of the wavevector <i>Q</i>, which is inversely proportional to the length scale at which microscopic processes are probed. The main result of this work is the ubiquitous observation that the EET method works extremely well for all considered autocorrelation functions or spectra, either experimental or simulated. This paper provides also, in its final part, important hints for future research, based on an integration of the EET lineshape description within Bayesian inference analysis. |
| format | Article |
| id | doaj-art-ebd0d1c904104015848cda69f6fddd42 |
| institution | DOAJ |
| issn | 2673-8015 |
| language | English |
| publishDate | 2025-03-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Liquids |
| spelling | doaj-art-ebd0d1c904104015848cda69f6fddd422025-08-20T03:16:22ZengMDPI AGLiquids2673-80152025-03-0152910.3390/liquids5020009Progress in the Understanding of Liquids Dynamics via a General Theory of Correlation FunctionsEleonora Guarini0Ubaldo Bafile1Daniele Colognesi2Alessandro Cunsolo3Alessio De Francesco4Ferdinando Formisano5Dipartimento di Fisica e Astronomia, Università degli Studi di Firenze, via G. Sansone 1, I-50019 Sesto Fiorentino, ItalyConsiglio Nazionale delle Ricerche, Istituto di Fisica Applicata “Nello Carrara”, Via Madonna del Piano 10, I-50019 Sesto Fiorentino, ItalyConsiglio Nazionale delle Ricerche, Istituto di Fisica Applicata “Nello Carrara”, Via Madonna del Piano 10, I-50019 Sesto Fiorentino, ItalyDepartment of Physics, University of Wisconsin at Madison, 1150 University Avenue, Madison, WI 53706, USACNR-IOM & INSIDE@ILL c/o Operative Group in Grenoble (OGG), F-38042 Grenoble, FranceCNR-IOM & INSIDE@ILL c/o Operative Group in Grenoble (OGG), F-38042 Grenoble, FranceThis work provides a comprehensive picture of the advances that the exponential expansion theory (EET) of autocorrelation functions relevant to liquids dynamics made possible in the last decade up to very recent times. The role of both longitudinal and transverse collective excitations in liquids is investigated by studying the main autocorrelation functions typically obtained either experimentally (when possible) or through molecular dynamics simulations. Examples for some classes of liquids are provided, especially intended for the understanding of dispersion curves, i.e., the collective mode frequencies as a function of the wavevector <i>Q</i>, which is inversely proportional to the length scale at which microscopic processes are probed. The main result of this work is the ubiquitous observation that the EET method works extremely well for all considered autocorrelation functions or spectra, either experimental or simulated. This paper provides also, in its final part, important hints for future research, based on an integration of the EET lineshape description within Bayesian inference analysis.https://www.mdpi.com/2673-8015/5/2/9liquids dynamicsexponential expansion of autocorrelation functionslongitudinal and transverse collective excitationsself-dynamics |
| spellingShingle | Eleonora Guarini Ubaldo Bafile Daniele Colognesi Alessandro Cunsolo Alessio De Francesco Ferdinando Formisano Progress in the Understanding of Liquids Dynamics via a General Theory of Correlation Functions Liquids liquids dynamics exponential expansion of autocorrelation functions longitudinal and transverse collective excitations self-dynamics |
| title | Progress in the Understanding of Liquids Dynamics via a General Theory of Correlation Functions |
| title_full | Progress in the Understanding of Liquids Dynamics via a General Theory of Correlation Functions |
| title_fullStr | Progress in the Understanding of Liquids Dynamics via a General Theory of Correlation Functions |
| title_full_unstemmed | Progress in the Understanding of Liquids Dynamics via a General Theory of Correlation Functions |
| title_short | Progress in the Understanding of Liquids Dynamics via a General Theory of Correlation Functions |
| title_sort | progress in the understanding of liquids dynamics via a general theory of correlation functions |
| topic | liquids dynamics exponential expansion of autocorrelation functions longitudinal and transverse collective excitations self-dynamics |
| url | https://www.mdpi.com/2673-8015/5/2/9 |
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