Observations of non-linear plasmon damping in dense plasmas
Abstract
Here, we present simulations using finite-temperature density-functional-theory molecular-dynamics to calculate dynamic dielectric properties in warm dense aluminum. The comparison between exchange-correlation functionals in the Perdew, Burke, Ernzerhof approximation, Strongly Constrained and Appropriately Normed Semilocal Density Functional, and Heyd, Scuseria, Ernzerhof (HSE) approximation indicates evident differences in the electron transition energies, dc conductivity, and Lorenz number. The HSE calculations show excellent agreement with x-ray scattering data as well as dc conductivity and absorption measurements. These findings demonstrate non-Drude behavior of the dynamic conductivity above the Cooper minimum that needs to be taken into account to determine optical properties in the warm dense matter regime.
- Authors:
-
- SLAC National Accelerator Lab., Menlo Park, CA (United States); Univ. Rostock, Rostock (Germany)
- SLAC National Accelerator Lab., Menlo Park, CA (United States); European XFEL, Schenefeld (Germany); Aible GmbH, Rostock (Germany)
- Univ. Rostock, Rostock (Germany)
- CEA, DAM, DIF, Arpajon Cedex (France)
- SLAC National Accelerator Lab., Menlo Park, CA (United States)
- Publication Date:
- Research Org.:
- SLAC National Accelerator Lab., Menlo Park, CA (United States)
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1458535
- Alternate Identifier(s):
- OSTI ID: 1426526
- Grant/Contract Number:
- AC02-76SF00515; FOR 2440; SFB 652; FWP 100182
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physics of Plasmas
- Additional Journal Information:
- Journal Volume: 25; Journal Issue: 5; Journal ID: ISSN 1070-664X
- Publisher:
- American Institute of Physics (AIP)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 70 PLASMA PHYSICS AND FUSION TECHNOLOGY
Citation Formats
Witte, B. B. L., Sperling, P., French, M., Recoules, V., Glenzer, S. H., and Redmer, R. Observations of non-linear plasmon damping in dense plasmas. United States: N. p., 2018.
Web. doi:10.1063/1.5017889.
Witte, B. B. L., Sperling, P., French, M., Recoules, V., Glenzer, S. H., & Redmer, R. Observations of non-linear plasmon damping in dense plasmas. United States. https://doi.org/10.1063/1.5017889
Witte, B. B. L., Sperling, P., French, M., Recoules, V., Glenzer, S. H., and Redmer, R. Fri .
"Observations of non-linear plasmon damping in dense plasmas". United States. https://doi.org/10.1063/1.5017889. https://www.osti.gov/servlets/purl/1458535.
@article{osti_1458535,
title = {Observations of non-linear plasmon damping in dense plasmas},
author = {Witte, B. B. L. and Sperling, P. and French, M. and Recoules, V. and Glenzer, S. H. and Redmer, R.},
abstractNote = {Here, we present simulations using finite-temperature density-functional-theory molecular-dynamics to calculate dynamic dielectric properties in warm dense aluminum. The comparison between exchange-correlation functionals in the Perdew, Burke, Ernzerhof approximation, Strongly Constrained and Appropriately Normed Semilocal Density Functional, and Heyd, Scuseria, Ernzerhof (HSE) approximation indicates evident differences in the electron transition energies, dc conductivity, and Lorenz number. The HSE calculations show excellent agreement with x-ray scattering data as well as dc conductivity and absorption measurements. These findings demonstrate non-Drude behavior of the dynamic conductivity above the Cooper minimum that needs to be taken into account to determine optical properties in the warm dense matter regime.},
doi = {10.1063/1.5017889},
journal = {Physics of Plasmas},
number = 5,
volume = 25,
place = {United States},
year = {Fri Mar 16 00:00:00 EDT 2018},
month = {Fri Mar 16 00:00:00 EDT 2018}
}
Web of Science
Figures / Tables:
Works referenced in this record:
Generalized Gradient Approximation Made Simple
journal, October 1996
- Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
- Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
Observation of Reverse Saturable Absorption of an X-ray Laser
journal, August 2017
- Cho, B. I.; Cho, M. S.; Kim, M.
- Physical Review Letters, Vol. 119, Issue 7
Resistivity of a Simple Metal from Room Temperature to K
journal, November 1988
- Milchberg, H. M.; Freeman, R. R.; Davey, S. C.
- Physical Review Letters, Vol. 61, Issue 20
Projector augmented-wave method
journal, December 1994
- Blöchl, P. E.
- Physical Review B, Vol. 50, Issue 24, p. 17953-17979
Hybrid functionals based on a screened Coulomb potential
journal, May 2003
- Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias
- The Journal of Chemical Physics, Vol. 118, Issue 18
Jupiter Models with Improved ab Initio Hydrogen Equation of State (H-Reos.2)
journal, April 2012
- Nettelmann, N.; Becker, A.; Holst, B.
- The Astrophysical Journal, Vol. 750, Issue 1
Frontiers and Challenges in Warm Dense Matter
book, January 2014
- Graziani, Frank; Desjarlais, Michael P.; Redmer, Ronald
- Lecture Notes in Computational Science and Engineering, Vol. 96
Ueber die Wärme-Leitungsfähigkeit der Metalle
journal, January 1853
- Franz, R.; Wiedemann, G.
- Annalen der Physik und Chemie, Vol. 165, Issue 8
Electrical conductivity for warm, dense aluminum plasmas and liquids
journal, August 2002
- Desjarlais, M. P.; Kress, J. D.; Collins, L. A.
- Physical Review E, Vol. 66, Issue 2
Non-equilibrium solid-to-plasma transition dynamics using XANES diagnostic
journal, October 2016
- Dorchies, F.; Recoules, V.
- Physics Reports, Vol. 657
Equation of state and optical properties of warm dense helium
journal, January 2018
- Preising, Martin; Lorenzen, Winfried; Becker, Andreas
- Physics of Plasmas, Vol. 25, Issue 1
Ultrabright X-ray laser scattering for dynamic warm dense matter physics
journal, March 2015
- Fletcher, L. B.; Lee, H. J.; Döppner, T.
- Nature Photonics, Vol. 9, Issue 4
Thermophysical properties of liquid copper and aluminum
journal, September 1983
- Gathers, G. R.
- International Journal of Thermophysics, Vol. 4, Issue 3
From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999
- Kresse, G.; Joubert, D.
- Physical Review B, Vol. 59, Issue 3, p. 1758-1775
Theoretical model of x-ray scattering as a dense matter probe
journal, February 2003
- Gregori, G.; Glenzer, S. H.; Rozmus, W.
- Physical Review E, Vol. 67, Issue 2
Dynamic structure factor in warm dense beryllium
journal, May 2012
- Plagemann, K-U; Sperling, P.; Thiele, R.
- New Journal of Physics, Vol. 14, Issue 5
Quantum-statistical approach to the electrical conductivity of dense, high-temperature plasmas
journal, September 1988
- Röpke, G.
- Physical Review A, Vol. 38, Issue 6
Dynamic methods for investigating thermophysical properties of matter at very high temperatures and pressures
journal, April 1986
- Gathers, G. R.
- Reports on Progress in Physics, Vol. 49, Issue 4
Systematics of zeros in dipole matrix elements for photoionizing transitions: Nonrelativistic calculations
journal, June 1985
- Manson, Steven T.
- Physical Review A, Vol. 31, Issue 6
First-principles studies on the equation of state, thermal conductivity, and opacity of deuterium-tritium (DT) and polystyrene (CH) for inertial confinement fusion applications
journal, May 2016
- Hu, S. X.; Collins, L. A.; Goncharov, V. N.
- Journal of Physics: Conference Series, Vol. 717
Pair potentials for warm dense matter and their application to x-ray Thomson scattering in aluminum and beryllium
journal, November 2016
- Harbour, L.; Dharma-wardana, M. W. C.; Klug, D. D.
- Physical Review E, Vol. 94, Issue 5
Angular dependent photoelectric yield and optical constants of Al between 40 and 600 eV
journal, December 1986
- Birken, H. -G.; Jark, W.; Kunz, C.
- Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 253, Issue 1
Erratum: “Hybrid functionals based on a screened Coulomb potential” [J. Chem. Phys. 118, 8207 (2003)]
journal, June 2006
- Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias
- The Journal of Chemical Physics, Vol. 124, Issue 21
Creation and diagnosis of a solid-density plasma with an X-ray free-electron laser
journal, January 2012
- Vinko, S. M.; Ciricosta, O.; Cho, B. I.
- Nature, Vol. 482, Issue 7383
Ab initiomolecular dynamics for liquid metals
journal, January 1993
- Kresse, G.; Hafner, J.
- Physical Review B, Vol. 47, Issue 1, p. 558-561
Functional designed to include surface effects in self-consistent density functional theory
journal, August 2005
- Armiento, R.; Mattsson, A. E.
- Physical Review B, Vol. 72, Issue 8
A unified formulation of the constant temperature molecular dynamics methods
journal, July 1984
- Nosé, Shuichi
- The Journal of Chemical Physics, Vol. 81, Issue 1
Bestimmung der Wärmegrade in absolutem Maasse
journal, January 1872
- Lorenz, L.
- Annalen der Physik und Chemie, Vol. 223, Issue 11
Possibility of an unequivocal test of different models of the equation of state of aluminum in the coupling regime Γ∼1–50
journal, April 2002
- Perrot, François; Dharma-wardana, M. W. C.; Benage, John
- Physical Review E, Vol. 65, Issue 4
The Boltzmann Equation in the Theory of Electrical Conduction in Metals
journal, April 1958
- Greenwood, D. A.
- Proceedings of the Physical Society, Vol. 71, Issue 4
Strongly Constrained and Appropriately Normed Semilocal Density Functional
journal, July 2015
- Sun, Jianwei; Ruzsinszky, Adrienn; Perdew, John P.
- Physical Review Letters, Vol. 115, Issue 3
Physical Content of the Exact Kohn-Sham Orbital Energies: Band Gaps and Derivative Discontinuities
journal, November 1983
- Perdew, John P.; Levy, Mel
- Physical Review Letters, Vol. 51, Issue 20
Lindhard Dielectric Function in the Relaxation-Time Approximation
journal, March 1970
- Mermin, N. D.
- Physical Review B, Vol. 1, Issue 5
Absolute photoabsorption measurements of Mg, Al, and Si in the soft-x-ray region below the edges
journal, June 1994
- Gullikson, E. M.; Denham, P.; Mrowka, S.
- Physical Review B, Vol. 49, Issue 23
Electrical Resistivity of Aluminum and Manganese
journal, October 1984
- Desai, P. D.; James, H. M.; Ho, C. Y.
- Journal of Physical and Chemical Reference Data, Vol. 13, Issue 4
Pseudoatom molecular dynamics
journal, January 2015
- Starrett, C. E.; Daligault, J.; Saumon, D.
- Physical Review E, Vol. 91, Issue 1
Ab initio determination of electrical and thermal conductivity of liquid aluminum
journal, September 2005
- Recoules, Vanina; Crocombette, Jean-Paul
- Physical Review B, Vol. 72, Issue 10
Electronic transport in partially ionized water plasmas
journal, September 2017
- French, Martin; Redmer, Ronald
- Physics of Plasmas, Vol. 24, Issue 9
Explaining Jupiter's magnetic field and equatorial jet dynamics
journal, August 2014
- Gastine, T.; Wicht, J.; Duarte, L. D. V.
- Geophysical Research Letters, Vol. 41, Issue 15
An electron conductivity model for dense plasmas
journal, January 1984
- Lee, Y. T.; More, R. M.
- Physics of Fluids, Vol. 27, Issue 5
The Law of Wiedemann and Franz
journal, May 1961
- Chester, G. V.; Thellung, A.
- Proceedings of the Physical Society, Vol. 77, Issue 5
Prescription for the design and selection of density functional approximations: More constraint satisfaction with fewer fits
journal, August 2005
- Perdew, John P.; Ruzsinszky, Adrienn; Tao, Jianmin
- The Journal of Chemical Physics, Vol. 123, Issue 6
Thermal conductivities of molten metals: Part 1 Pure metals
journal, January 1996
- Mills, K. C.; Monaghan, B. J.; Keene, B. J.
- International Materials Reviews, Vol. 41, Issue 6
The PLATO 2.0 mission
journal, September 2014
- Rauer, H.; Catala, C.; Aerts, C.
- Experimental Astronomy, Vol. 38, Issue 1-2
Ab Initio Simulations for Material Properties Along the Jupiter Adiabat
journal, August 2012
- French, Martin; Becker, Andreas; Lorenzen, Winfried
- The Astrophysical Journal Supplement Series, Vol. 202, Issue 1
Dynamic conductivity and plasmon profile of aluminum in the ultra-fast-matter regime
journal, June 2016
- Dharma-wardana, M. W. C.
- Physical Review E, Vol. 93, Issue 6
Free–free opacity in warm dense aluminum
journal, September 2009
- Vinko, Sam M.; Gregori, Gianluca; Desjarlais, Michael P.
- High Energy Density Physics, Vol. 5, Issue 3
Free-Electron X-Ray Laser Measurements of Collisional-Damped Plasmons in Isochorically Heated Warm Dense Matter
journal, September 2015
- Sperling, P.; Gamboa, E. J.; Lee, H. J.
- Physical Review Letters, Vol. 115, Issue 11
Ab initio simulations of the dynamic ion structure factor of warm dense lithium
journal, April 2017
- Witte, B. B. L.; Shihab, M.; Glenzer, S. H.
- Physical Review B, Vol. 95, Issue 14
XUV spectroscopic characterization of warm dense aluminum plasmas generated by the free-electron-laser FLASH
journal, March 2012
- Zastrau, U.; Burian, T.; Chalupsky, J.
- Laser and Particle Beams, Vol. 30, Issue 1
Thermoelectric transport properties of molybdenum from simulations
journal, October 2014
- French, Martin; Mattsson, Thomas R.
- Physical Review B, Vol. 90, Issue 16
Special points for Brillouin-zone integrations
journal, June 1976
- Monkhorst, Hendrik J.; Pack, James D.
- Physical Review B, Vol. 13, Issue 12, p. 5188-5192
X-Ray Interactions: Photoabsorption, Scattering, Transmission, and Reflection at E = 50-30,000 eV, Z = 1-92
journal, July 1993
- Henke, B. L.; Gullikson, E. M.; Davis, J. C.
- Atomic Data and Nuclear Data Tables, Vol. 54, Issue 2, p. 181-342
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996
- Kresse, G.; Furthmüller, J.
- Physical Review B, Vol. 54, Issue 16, p. 11169-11186
A theory of the electrical properties of liquid metals. I: The monovalent metals
journal, August 1961
- Ziman, J. M.
- Philosophical Magazine, Vol. 6, Issue 68
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
journal, May 1994
- Kresse, G.; Hafner, J.
- Physical Review B, Vol. 49, Issue 20, p. 14251-14269
Extreme ultraviolet reflectance degradation of aluminum and silicon from surface oxidation
journal, January 1988
- Scott, Marion L.; Arendt, Paul N.; Cameron, Bernard J.
- Applied Optics, Vol. 27, Issue 8
Ab initio calculation of the ion feature in x-ray Thomson scattering
journal, July 2015
- Plagemann, Kai-Uwe; Rüter, Hannes R.; Bornath, Thomas
- Physical Review E, Vol. 92, Issue 1
Zur Elektronentheorie der Metalle
journal, January 1900
- Drude, P.
- Annalen der Physik, Vol. 306, Issue 3
Free-free opacity in dense plasmas with an average atom model
journal, June 2017
- Shaffer, N. R.; Ferris, N. G.; Colgan, J.
- High Energy Density Physics, Vol. 23
Direct observation of an abrupt insulator-to-metal transition in dense liquid deuterium
journal, June 2015
- Knudson, M. D.; Desjarlais, M. P.; Becker, A.
- Science, Vol. 348, Issue 6242
Resistivity saturation in warm dense matter
journal, January 2015
- Faussurier, Gérald; Blancard, Christophe
- Physical Review E, Vol. 91, Issue 1
Ultrafast X-ray Thomson Scattering of Shock-Compressed Matter
journal, October 2008
- Kritcher, A. L.; Neumayer, P.; Castor, J.
- Science, Vol. 322, Issue 5898
Linear optical properties in the projector-augmented wave methodology
journal, January 2006
- Gajdoš, M.; Hummer, K.; Kresse, G.
- Physical Review B, Vol. 73, Issue 4
Thermal conductivity measurements of proton-heated warm dense aluminum
journal, August 2017
- McKelvey, A.; Kemp, G. E.; Sterne, P. A.
- Scientific Reports, Vol. 7, Issue 1
Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
journal, September 1992
- Perdew, John P.; Chevary, J. A.; Vosko, S. H.
- Physical Review B, Vol. 46, Issue 11
Electronic transport coefficients from ab initio simulations and application to dense liquid hydrogen
journal, June 2011
- Holst, Bastian; French, Martin; Redmer, Ronald
- Physical Review B, Vol. 83, Issue 23
Calculation of the electrical conductivity of strongly coupled plasmas
journal, January 1996
- Yuan, J. K.; Sun, Y. S.; Zheng, S. T.
- Physical Review E, Vol. 53, Issue 1
Development of the indirect‐drive approach to inertial confinement fusion and the target physics basis for ignition and gain
journal, November 1995
- Lindl, John
- Physics of Plasmas, Vol. 2, Issue 11
Practical Improvements to the Lee-More Conductivity Near the Metal-Insulator Transition
journal, March 2001
- Desjarlais, M. P.
- Contributions to Plasma Physics, Vol. 41, Issue 2-3
X-ray Thomson scattering in high energy density plasmas
journal, December 2009
- Glenzer, Siegfried H.; Redmer, Ronald
- Reviews of Modern Physics, Vol. 81, Issue 4
X-Ray Diagnosis of the Pressure Induced Mott Nonmetal-Metal Transition
journal, January 2012
- Lévy, A.; Dorchies, F.; Benuzzi-Mounaix, A.
- Physical Review Letters, Vol. 108, Issue 5
Transport Phenomena in a Completely Ionized Gas
journal, March 1953
- Spitzer, Lyman; Härm, Richard
- Physical Review, Vol. 89, Issue 5
Electrical and thermal conductivity of Al liquid at high pressures and temperatures from ab initio computations
journal, May 2012
- Vlček, Vojtěch; de Koker, Nico; Steinle-Neumann, Gerd
- Physical Review B, Vol. 85, Issue 18
Direct measurement of thermal conductivity in solid iron at planetary core conditions
journal, June 2016
- Konôpková, Zuzana; McWilliams, R. Stewart; Gómez-Pérez, Natalia
- Nature, Vol. 534, Issue 7605
Interaction of photons with plasmas and liquid metals - photoabsorption and scattering
journal, December 1999
- Chihara, Junzo
- Journal of Physics: Condensed Matter, Vol. 12, Issue 3
Statistical-Mechanical Theory of Irreversible Processes. I. General Theory and Simple Applications to Magnetic and Conduction Problems
journal, June 1957
- Kubo, Ryogo
- Journal of the Physical Society of Japan, Vol. 12, Issue 6
Diffusion and electrical conductivity in water at ultrahigh pressures
journal, November 2010
- French, Martin; Mattsson, Thomas R.; Redmer, Ronald
- Physical Review B, Vol. 82, Issue 17
Physical properties of dense, low-temperature plasmas
journal, April 1997
- Redmer, Ronald
- Physics Reports, Vol. 282, Issue 2-3
Ab Initio Simulations for the Ion-Ion Structure Factor of Warm Dense Aluminum
journal, April 2014
- Rüter, Hannes R.; Redmer, Ronald
- Physical Review Letters, Vol. 112, Issue 14
Zur Elektronentheorie der Metalle
journal, January 1913
- Herzfeld, Karl F.
- Annalen der Physik, Vol. 346, Issue 6
Zur Elektronentheorie der Metalle
journal, May 1928
- Sommerfeld, A.
- Die Naturwissenschaften, Vol. 16, Issue 21
Amorphization-induced surface electronic states modulation of cobaltous oxide nanosheets for lithium-sulfur batteries
journal, May 2021
- Li, Ruilong; Rao, Dewei; Zhou, Jianbin
- Nature Communications, Vol. 12, Issue 1
Reducing Dzyaloshinskii-Moriya interaction and field-free spin-orbit torque switching in synthetic antiferromagnets
journal, May 2021
- Chen, Ruyi; Cui, Qirui; Liao, Liyang
- Nature Communications, Vol. 12, Issue 1
Electronic structure of AlFeN films exhibiting crystallographic orientation change from c- to a-axis with Fe concentrations and annealing effect
journal, February 2020
- Tatemizo, Nobuyuki; Imada, Saki; Okahara, Kizuna
- Scientific Reports, Vol. 10, Issue 1
Zur Elektronentheorie der Metalle
journal, January 1916
- March, A.
- Annalen der Physik, Vol. 354, Issue 6
Extreme Ultraviolet Reflectance Degradation Of Aluminum And Silicon From Surface Oxidation
conference, August 1988
- Scott, Marion L.; Arendt, Paul N.; Cameron, Bernard J.
- 31st Annual Technical Symposium, SPIE Proceedings
Zur Elektronentheorie der Metalle
journal, January 1902
- Drude, P.
- Annalen der Physik, Vol. 312, Issue 3
Explaining Jupiter's magnetic field and equatorial jet dynamics
text, January 2014
- Gastine, T.; Wicht, J.; Duarte, L.
- arXiv
Strongly Constrained and Appropriately Normed Semilocal Density Functional
preprint, January 2015
- Sun, Jianwei; Ruzsinszky, Adrienn; Perdew, John P.
- arXiv
The importance of finite-temperature exchange-correlation for warm dense matter calculations
text, January 2016
- Karasiev, Valentin V.; Calderín, Lázaro; Trickey, S. B.
- arXiv
Interaction of photons with plasmas and liquid metals: photoabsorption and scattering
text, January 1999
- Chihara, Junzo
- arXiv
Works referencing / citing this record:
Ionization dynamics of dense matter generated by intense ultrashort X-ray pulses
journal, February 2019
- Shihab, Mohammed; Bornath, Thomas; Redmer, Ronald
- Contributions to Plasma Physics, Vol. 59, Issue 4-5