RESEOS - A model of thermodynamic and optical properties of hot and warm dense matter

High Energy Density Physics

Volumn 13, Issue , 2014, Pages 20-33

  Ovechkin, A A ^a   Loboda, P A ^a   Novikov, V G ^b   Grushin, A S ^b   Solomyannaya, A D ^b  

^a INSTITUTE OF TECHNICAL PHYSICS   (Russian Federation)

^b KELDYSH INSTITUTE OF APPLIED MATHEMATICS   (Russian Federation)

Author keywords

Absorption spectra; Equation of state; Exchange correlation potential; Shock hugoniot; Superconfiguration approach

Indexed keywords

EID: 84907858834     PISSN: 15741818     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.hedp.2014.09.001     Document Type: Article

References (76)

1. Liberman D.A. Self-consistent field model for condensed matter. Phys. Rev. B 1979, 20:4981-4989.
2. Liberman D.A. INFERNO: a better model of atoms in dense plasmas. J.Quant. Spectrosc. Radiat. Transfer 1982, 27:335-339.
3. Novikov V.G., Ovechkin A.A. Calculations of the equation of state by Liberman model. Math. Models Comput. Simul. 2011, 3:290-299.
4. Sin'ko G.V., Smirnov N.A., Ovechkin A.A., Levashov P.R., Khishchenko K.V. Thermodynamic functions of the heated electron subsystem in the field of cold nuclei. High Energy Density Phys. 2013, 9:309-314.
5. Zel'dovich Y.B., Raizer Y.P. Physics of Shock Waves and High-temperature Hydrodynamic Phenomena 1967, Academic, New York.
6. Bar-Shalom A., Oreg J., Goldstein W.H., Shvarts D., Zigler A. Super-transition arrays: a model for the spectral analysis of hot, dense plasma. Phys. Rev. A 1989, 40:3183-3193.
7. Bar-Shalom A., Oreg J., Goldstein W.H. Effect of configuration widths on the spectra of local thermodynamic equilibrium plasmas. Phys. Rev. E 1995, 51:4882-4890.
8. Bauche-Arnoult C., Bauche J., Klapisch M. Variance of the distribution of energy levels and of the transition arrays in atomic spectra. Phys. Rev. A 1979, 20:2424-2439.
9. Bauche-Arnoult C., Bauche J., Klapisch M. Variance of the distribution of energy levels and of the transition arrays in atomic spectra. II. Configurations with more than two open subshells. Phys. Rev. A 1982, 25:2641-2646.
10. Bauche-Arnoult C., Bauche J., Klapisch M. Variance of the distribution of energy levels and of the transition arrays in atomic spectra. III. Case of the spin-orbit-split arrays. Phys. Rev. A 1985, 31:2248-2259.
11. Stein J., Shalitin D., Ron A. Average-atom models of line broadening in hot dense plasmas. Phys. Rev. A 1985, 31:446-450.
12. Dragalov V.V., Novikov V.G. Distribution of spectral lines in plasma with respect to fluctuations of the occupation numbers. High Temp. 1987, 25:762-766.
13. Nikiforov A.F., Novikov V.G., Uvarov V.B. Quantum-statistical Models of Hot Dense Matter. Methods for Computation Opacity and Equation of State 2005, Birkhauser, Basel.
14. Goldberg A., Rozsnyai B.F. LLNL Report UCRL-95472 1986.
15. Dragalov V.V., Nikiforov A.F., Novikov V.G., Uvarov V.B. Statistical method for calculating the absorption of photons in dense high-temperature plasmas. Sov. J. Plasma Phys. 1990, 16:44-49.
16. Rose S.J. Calculations of the radiative opacity of laser-produced plasmas. J.Phys. B At. Mol. Phys. 1992, 25:1667-1680.
17. Iglesias C.A., Sonnad V. Partially resolved transition array model for atomic spectra. High Energy Density Phys. 2012, 8:154-160.
18. Iglesias C.A. Statistical line-by-line model for atomic spectra in intermediate coupling. High Energy Density Phys. 2012, 8:253-259.
19. Iglesias C.A. Partially resolved transition array model in intermediate coupling. High Energy Density Phys. 2012, 8:260-265.
20. Porcherot Q., Pain J.-C., Gilleron F., Blenski T. Aconsistent approach for mixed detailed and statistical calculation of opacities in hot plasmas. High Energy Density Phys. 2011, 7:234-239.
21. Gao C., Zeng J., Jin F., Yuan J. Ahybrid detailed level and configuration accounting model for investigating the radiative opacity of gold plasmas with open 4d and 4f shells. High Energy Density Phys. 2013, 9:419-424.
22. Bar-Shalom A., Oreg J., Klapisch M. EOSTA - an improved EOS quantum mechanical model in the STA opacity code. J.Quant. Spectrosc. Radiat. Transfer 2006, 99:35-54.
23. Bar-Shalom A., Oreg J. Recent progress in the EOSTA model. High Energy Density Phys. 2007, 3:12-19.
24. Bar-Shalom A., Oreg J. The relativistic virial theorem in plasma EOS calculations. High Energy Density Phys. 2009, 5:196-203.
25. More R.M. Pressure ionization, resonances, and the continuity of bound and free states. Adv. At. Mol. Phys. 1985, 21:305-356.
26. Wilson B., Sonnad V., Sterne P., Isaacs W. Purgatorio - a new implementation of the Inferno algorithm. J.Quant. Spectrosc. Radiat. Transfer 2006, 99:658-679.
27. Novikov V.G., Ovechkin A.A. Pressure calculations in the Inferno model. Keldysh Inst. Appl. Math. Russ. Acad. Sci. 2009, 77. Preprint, (in Russian).
28. Penicaud M. An average atom code for warm matter: application to aluminium and uranium. J.Phys. Condens. Matter 2009, 21:095409.
29. Eliseev G.M., Klinishov G.E. The equation of state of solid materials and its spline approximation. Keldysh Inst. Appl. Math. USSR Acad. Sci. 1982, 173. Preprint, (in Russian).
30. Sapozhnikov A.T., Pershina A.V. Semi-empirical Equation of State of Metals in a Wide Range of Densities and Temperatures, Voprosy atomnoi nauki i tekhniki, Ser.: Metodiki i Programmy . . .(Problems of Atomic Science and Technology, Ser.: Numerical Methods and Codes for the Problems of Mathematical Physics) 1979, vol. 4:47-56. (in Russian).
31. Kosterin N.N., Novikov V.G., Grushin A.S. Cold curve construction by using quasizone model and ABINIT code. Keldysh Inst. Appl. Math. Russ. Acad. Sci 2012, 41. Preprint, (in Russian).
32. Benedict L.X., Ogitsu T., Trave A., Wu C.J., Sterne P.A., Schwegler E. Calculations of high-pressure properties of beryllium: construction of a multiphase equation of state. Phys. Rev. E 2009, 79:064106.
33. Sin'ko G., Smirnov N. Structural transitions in indium under high pressure: ab-initio electronic structure calculations. Phys. Rev. B 2006, 74:134113.
34. Piron R., Blenski T. Variational-average-atom-in-quantum-plasmas (VAAQP) code and virial theorem: equation-of-state and shock-Hugoniot calculations for warm dense Al, Fe, Cu, and Pb. Phys. Rev. E 2011, 83:026403.
35. Faussurier G., Silvestrelli P.L., Blancard C. Finite-temperature exchange-correlation functional in an ab initio molecular dynamics code. High Energy Density Phys. 2009, 5:74-79.
36. Sterne P.A., Hansen S.B., Wilson B.G., Isaacs W.A. Equation of state, occupation probabilities and conductivities in the average atom Purgatorio code. High Energy Density Phys. 2007, 3:278-282.
37. Kohn W., Sham L.J. Self-consistent equations including exchange and correlation effects. Phys. Rep. 1965, 140:A1133-A1138.
38. Nikiforov A.F., Novikov V.G., Uvarov V.B. AModified Hartree-Fock-Slater Model for Matter with Given Temperature and Density, Voprosy atomnoi nauki i tekhniki, Ser.: Metodiki i Programmy . . .(Problems of Atomic Science and Technology, Ser.: Numerical Methods and Codes for the Problems of Mathematical Physics) 1979, vol. 4:16-26. (in Russian).
39. Perrot F. Gradient correction to the statistical electronic free energy at nonzero temperatures: application to equation-of-state calculations. Phys. Rev. A 1979, 20:586-594.
40. Gupta U., Rajagopal A.K. Inhomogeneous electron gas at nonzero temperatures: exchange effects. Phys. Rev. A 1980, 21:2064-2066.
41. Horovitz B., Thieberger R. Exchange integral and specific heat of the electron gas. Physica 1974, 71:99-105.
42. MacLeod A.J. Algorithm 779: Fermi-Dirac functions of order -1/2, 1/2, 3/2, 5/2. ACM Trans. Math. Soft. 1998, 24:1-12.
43. Hedin L., Lundqvist B.I. Explicit local exchange-correlation potentials. J.Phys. C Solid State Phys. 1971, 4:2064-2083.
44. Bushman A.V., Lomonosov I.V., Khishchenko K.V. Shock Wave Database 2014, http://www.ihed.ras.ru/rusbank/.
45. Rozsnyai B. Equation of state calculations based on the self-consistent ion-sphere and ion-correlation average atom models. High Energy Density Phys. 2014, 10:16-26.
46. Mihalas D. Stellar Atmospheres 1978, W.H. Freeman and Co, San Francisco.
47. Blenski T., Grimaldi A., Perrot F. Hartree-Fock statistical approach to atoms and photoabsorption in plasmas. Phys. Rev. E 1997, 55:R4889-R4892.
48. Rozsnyai B.F., Bloom S.W., Resler D.A. Computation of spectral arrays in hot plasmas using the Lanczos algorithm. Phys. Rev. A 1991, 44:6791-6799.
49. Rozsnyai B.F. Photoabsorption in hot plasmas based on the ion-sphere and ion-correlation models. Phys. Rev. A 1991, 43:3035-3042.
50. Cowan R.D. The Theory of Atomic Structure and Spectra 1981, University of California press, Berkeley.
51. Karazija R. The Theory of X-ray and Electronic Spectra of Free Atoms. An Introduction 1987, Mokslas, Vilnius, (in Russian).
52. Perrot F. Correlated fluctuations of electron populations in high temperature plasmas. Phys. A 1988, 150:357-370.
53. Piron R., Blenski T. Variational average-atom in quantum plasmas (VAAQP) - application to radiative properties. High Energy Density Phys. 2013, 9:702-710.
54. Faussurier G., Wilson B.G., Chen M.H. Generalization of super-transition-array methods to hot dense plasmas by using optimum independent particle reference systems. Phys. Rev. E 2001, 65:016403.
55. Pain J.-C., Gilleron F., Faussurier G. Jensen-Feynman approach to the statistics of interacting electrons. Phys. Rev. E 2009, 80:026703.
56. Gilleron F., Pain J.-C. Stable method for the calculation of partition functions in the superconfiguration approach. Phys. Rev. E 2004, 69:056117.
57. Faussurier G., Blancard C., Decoster A. Statistical mechanics of highly charged ion plasmas in local thermodynamic equilibrium. Phys. Rev. E 1997, 56:3474-3487.
58. Faussurier G., Blancard C., Decoster A. Statistical treatment of radiative transitions in local thermodynamic equilibrium plasmas. Phys. Rev. E 1997, 56:3488-3497.
59. Bar-Shalom A., Oreg J. Photoelectric effect in the super transition array model. Phys. Rev. E 1996, 54:1850-1856.
60. Blenski T. Photoabsorption in dense plasmas. Astrophys. J. Suppl.Ser. 2000, 127:239-244.
61. Beynon T.D., Landeg D.K.K. Scattering resonances in dense plasmas. J.Quant. Spectrosc. Radiat. Transfer 1990, 44:129-134.
62. Hansen S., Sterne P., Wilson B. Optical conductivities from an average-atom model. International Workshop on Warm Dense Matter, Porquerolles 2007, http://www.luli.polytechnique.fr/wdm07/WDM07-13-06-07/WDM07-Hansen.pdf.
63. Blenski T., Cichocki T. Density-functional approach to the absorption bands in a dense, partially ionized plasma. Phys. Rev. A 1990, 41:6973-6981.
64. Springer P.T., Fields D.F., Wilson B.G., et al. Spectroscopic absorption measurements of an iron plasma. Phys. Rev. Lett. 1992, 69:3735-3738.
65. Springer P.T., Fields D.F., Wilson B.G., et al. Spectroscopic measurements of Rosseland mean opacity. J.Quant. Spectrosc. Radiat. Transfer 1994, 52:371-377.
66. Final Report of the Third International Opacity Workshop & Code Comparison Study 1995, Max-Plank Institut fur Quantenoptik, Garshing.
67. Final Report of the Fourth International Opacity Workshop & Code Comparison Study 1998, Institute of Nuclear Fusion, Ìadrid.
68. Bar-Shalom A., Oreg J., Goldstein W.H. Configuration interaction in LTE spectra of heavy elements. J.Quant. Spectrosc. Radiat. Transfer 1994, 51:27-39.
69. Bar-Shalom A., Oreg J., Klapisch M., Lehecka T. Effect of configuration interaction on shift widths and intensity redistribution of transition arrays. Phys. Rev. E 1999, 59:3512-3525.
70. Bar-Shalom A., Oreg J., Klapisch M. The effect of configuration interaction on relativistic transition arrays. J.Quant. Spectrosc. Radiat. Transfer 2000, 65:415-428.
71. Gilleron F., Bauche J., Bauche-Arnoult C. Astatistical approach for simulating detailed-line spectra. J.Phys. B At. Mol. Phys. 2007, 40:3057-3074.
72. National Institute of Standards and Technologies, 2014. http://physics.nist.gov/PhysRefData/FFast/html/form.html.
73. Center of X-ray Optics, 2014. http://cxro.lbl.gov.
74. Voropinov A.I., Gandel'man G.M., Podval'ny V.G. Electronic energy spectra and the equation of state of solids at high pressures and temperatures. Sov. Phys. Uspekhi 1970, 13:56-72.
75. Grushin A.S., Novikov V.G. Quasizone model of matter. Annual Moscow Workshop on the Non-ideal Plasma Physics (NPP-2007) 2007, (in Russian). http://www.ihed.ras.ru/npp2007/presentations/grushin.pdf.
76. Vorob'ev V.S., Grushin A.S., Novikov V.G. Shock adiabat of atomic nitrogen at megabar pressures. J.Chem. Phys. 2012, 137:031102.