Literature DB >> 35081511

Mixed stochastic-deterministic time-dependent density functional theory: application to stopping power of warm dense carbon.

Alexander J White1, Lee A Collins1, Katarina Nichols1,2, S X Hu2.   

Abstract

Warm dense matter (WDM) describes an intermediate phase, between condensed matter and classical plasmas, found in natural and man-made systems. In a laboratory setting, WDM is often created dynamically. It is typically laser or pulse-power generated and can be difficult to characterize experimentally. Measuring the energy loss of high energy ions, caused by a WDM target, is both a promising diagnostic and of fundamental importance to inertial confinement fusion research. However, electron coupling, degeneracy, and quantum effects limit the accuracy of easily calculable kinetic models for stopping power, while high temperatures make the traditional tools of condensed matter, e.g. time-dependent density functional theory (TD-DFT), often intractable. We have developed a mixed stochastic-deterministic approach to TD-DFT which provides more efficient computation while maintaining the required precision for model discrimination. Recently, this approach showed significant improvement compared to models when compared to experimental energy loss measurements in WDM carbon. Here, we describe this approach and demonstrate its application to warm dense carbon stopping across a range of projectile velocities. We compare direct stopping-power calculation to approaches based on combining homogeneous electron gas response with bound electrons, with parameters extracted from our TD-DFT calculations.
© 2022 IOP Publishing Ltd.

Entities:  

Keywords:  stochastic density functional theory; stopping power; time dependent density functional theory; warm dense matter

Year:  2022        PMID: 35081511     DOI: 10.1088/1361-648X/ac4f1a

Source DB:  PubMed          Journal:  J Phys Condens Matter        ISSN: 0953-8984            Impact factor:   2.333


  1 in total

1.  Proton stopping measurements at low velocity in warm dense carbon.

Authors:  S Malko; W Cayzac; V Ospina-Bohórquez; K Bhutwala; M Bailly-Grandvaux; C McGuffey; R Fedosejevs; X Vaisseau; An Tauschwitz; J I Apiñaniz; D De Luis Blanco; G Gatti; M Huault; J A Perez Hernandez; S X Hu; A J White; L A Collins; K Nichols; P Neumayer; G Faussurier; J Vorberger; G Prestopino; C Verona; J J Santos; D Batani; F N Beg; L Roso; L Volpe
Journal:  Nat Commun       Date:  2022-05-24       Impact factor: 17.694

  1 in total

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