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Integral equation theory based dielectric scheme for strongly coupled electron liquids
KTH, School of Electrical Engineering and Computer Science (EECS), Electrical Engineering, Space and Plasma Physics.ORCID iD: 0000-0001-9632-8104
KTH, School of Electrical Engineering and Computer Science (EECS), Electrical Engineering, Space and Plasma Physics.ORCID iD: 0000-0002-7310-3508
Center for Advanced Systems Understanding (CASUS), D-02826 Görlitz, Germany ; Helmholtz-Zentrum Dresden-Rossendorf (HZDR), D-01328 Dresden, Germany.ORCID iD: 0000-0001-7293-6615
2021 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 155, no 13, p. 134115-134115Article in journal (Refereed) Published
Abstract [en]

In a recent paper, Lucco Castello et al. (arXiv:2107.03537) provided an accurate parameterization of classical one-component plasma bridge functions that was embedded in a novel dielectric scheme for strongly coupled electron liquids. Here, this approach is rigorously formulated, its set of equations is formally derived, and its numerical algorithm is scrutinized. A systematic comparison with available and new path integral Monte Carlo simulations reveals a rather unprecedented agreement especially in terms of the interaction energy and the long wavelength limit of the static local field correction.

Place, publisher, year, edition, pages
AIP Publishing , 2021. Vol. 155, no 13, p. 134115-134115
Keywords [en]
Physical and Theoretical Chemistry, General Physics and Astronomy
National Category
Fusion, Plasma and Space Physics
Identifiers
URN: urn:nbn:se:kth:diva-304944DOI: 10.1063/5.0065988ISI: 000755473800004PubMedID: 34625000Scopus ID: 2-s2.0-85116876442OAI: oai:DiVA.org:kth-304944DiVA, id: diva2:1611880
Funder
Swedish National Space BoardSwedish Research Council
Note

QC 20220307

Available from: 2021-11-16 Created: 2021-11-16 Last updated: 2022-06-25Bibliographically approved
In thesis
1. Bridge functions in strongly coupled plasmas: theory, simulations and applications
Open this publication in new window or tab >>Bridge functions in strongly coupled plasmas: theory, simulations and applications
2021 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

Strongly coupled or non-ideal plasmas are multi-component charged systems in which at least one species possesses an average interaction energy that is comparable or larger than its thermal energy. Non-ideal plasmas are naturally occurring in dense astrophysical objects (e.g. giant planet interiors) but also engineered in the laboratory (e.g. plasma discharges seeded with solid particulates). They are typically encountered in the liquid state, whose theoretical description is particularly challenging due to the lack of small parameters.  This thesis is focused on the development of a  novel theoretical approach for the accurate calculation of the structural and thermodynamic properties of plasma liquids. Apart from their inherent significance, these properties also constitute necessary input to advanced theories of dynamical correlations, collective excitations and transport coefficients. The theoretical approach is based on the integral equation theory framework, whose central quantity is the bridge function; an abstract object of diagrammatic analysis that is impossible to calculate or even approximate through virial-type expansions.  Here the bridge function is accurately determined by combining elements of the isomorph theory of R-simple liquids with indirect extractions from computer simulations. The unprecedented level of accuracy in both the structural and thermodynamic properties and the very low computational cost, render the approach the most efficient alternative to computer simulations of classical and quantum plasma liquids. Applications to collective modes and metastable properties are also discussed.

Abstract [sv]

Starkt kopplade eller icke-ideala plasma är flerkomponent system av laddade partiklar där minst ett partikelslag har en genomsnittlig interaktionsenergi som är jämförbar eller större än dess termiska energi. Icke-idealiska plasma förekommer naturligt i täta astrofysiska objekt (t.ex. jätteplaners interiörer) men är också konstruerade i laboratoriet (t.ex.  plasmaurladdningar med fasta partiklar). De påträffas vanligtvis i flytande tillstånd, vars teoretiska beskrivning är särskilt utmanande då det saknas små parametrar som kan användas för approximation.Denna avhandling är fokuserad på utvecklingen av en ny teoretisk metod för noggrann beräkning av plasmavätskors strukturella och termodynamiska egenskaper. Förutom deras inneboende betydelse utgör dessa egenskaper också nödvändig input till teorier om dynamiska korrelationer, kollektiva excitationer och transportkoefficienter. Det teoretiska tillvägagångssättet är baserat på det integralekvationsteoretiska ramverket, vars centrala kvantitet är bryggfunktionen; ett abstrakt objekt för diagrammatisk analys som är omöjligt att beräkna eller ens approximera genom expansioner av virialtyp. Här bestäms bryggfunktionen noggrant genom att kombinera element från isomorfteorin för R-enkla vätskor med indirekta extraktioner från datorsimuleringar. Den oöverträffade nivån av noggrannhet i både de strukturella och termodynamiska egenskaperna och den mycket låga beräkningskostnaden, gör metoden till det mest effektiva alternativet till datorsimuleringar av klassiska och kvantplasmavätskor. Tillämpningar på vågor och metastabila egenskaper diskuteras också.

Place, publisher, year, edition, pages
Stockholm: KTH Royal Institute of Technology, 2021. p. xiv, 113
Series
TRITA-EECS-AVL ; 2021:74
National Category
Fusion, Plasma and Space Physics
Research subject
Physics, Theoretical Physics; Physics, Atomic, Subatomic and Astrophysics
Identifiers
urn:nbn:se:kth:diva-304947 (URN)978-91-8040-057-2 (ISBN)
Public defence
2021-12-10, Ångdomen, Osquars backe 31, Stockholm, 14:00 (English)
Opponent
Supervisors
Note

QC 20211117

Available from: 2021-11-17 Created: 2021-11-16 Last updated: 2022-06-25Bibliographically approved

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Tolias, PanagiotisCastello, Federico

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