Ab initio calculation of the ion feature in x-ray Thomson scattering

被引：33

作者：

Plagemann, Kai-Uwe ^{[1
]}

Rueter, Hannes R. ^{[1
]}

Bornath, Thomas ^{[1
]}

Shihab, Mohammed ^{[1
,2
]}

Desjarlais, Michael P. ^{[3
]}

Fortmann, Carsten ^{[4
]}

Glenzer, Siegfried H. ^{[5
]}

Redmer, Ronald ^{[1
]}

机构：

[1] Univ Rostock, Inst Phys, D-18051 Rostock, Germany

[2] Tanta Univ, Fac Sci, Dept Phys, Tanta 31527, Egypt

[3] Sandia Natl Labs, Albuquerque, NM 87185 USA

[4] Quantumwise AS, DK-2100 Copenhagen, Denmark

[5] SLAC Natl Accelerator Lab, High Energy Dens Sci, Menlo Pk, CA 94025 USA

来源：

PHYSICAL REVIEW E | 2015年 / 92卷 / 01期

关键词：

AUGMENTED-WAVE METHOD; WARM DENSE MATTER; MOLECULAR-DYNAMICS; LIQUID-METALS; PLASMAS; APPROXIMATION;

D O I：

10.1103/PhysRevE.92.013103

中图分类号：

O35 [流体力学]; O53 [等离子体物理学];

学科分类号：

070204 ; 080103 ; 080704 ;

摘要：

The spectrum of x-ray Thomson scattering is proportional to the dynamic structure factor. An important contribution is the ion feature which describes elastic scattering of x rays off electrons. We apply an ab initio method for the calculation of the form factor of bound electrons, the slope of the screening cloud of free electrons, and the ion-ion structure factor in warm dense beryllium. With the presented method we can calculate the ion feature from first principles. These results will facilitate a better understanding of x-ray scattering in warm dense matter and an accurate measurement of ion temperatures which would allow determining nonequilibrium conditions, e.g., along shock propagation.

引用

收藏

页数：8

相关论文

共 50 条

[41] Ab initio calculation of vibrational frequencies of GexPxS1-2x glass [J].

Abu Kassim, Hasan ;

Jalil, Ithnin Abdul ;

Yusof, Norhasliza ;

Devi, V. Radhika ;

Shrivastava, Keshav N. .

JOURNAL OF NON-CRYSTALLINE SOLIDS, 2007, 353 (02) :111-118

[42] Ab initio interatomic potentials for low-energy He ion/atom scattering [J].

Karolewski, M. A. .

RADIATION EFFECTS AND DEFECTS IN SOLIDS, 2012, 167 (09) :666-675

[43] Time-dependent density functional approach for the calculation of inelastic x-ray scattering spectra of molecules [J].

Sakko, Arto ;

Rubio, Angel ;

Hakala, Mikko ;

Hamalainen, Keijo .

JOURNAL OF CHEMICAL PHYSICS, 2010, 133 (17)

[44] Ion Solvation Cage Structure in Polymer Electrolytes Determined by Combining X-ray Scattering and Simulations [J].

Fang, Chao ;

Chakraborty, Saheli ;

Li, Yunhao ;

Lee, Jaeyong ;

Balsara, Nitash P. ;

Wang, Rui .

ACS MACRO LETTERS, 2023, 12 (09) :1244-1250

[45] High resolution x-ray Thomson scattering measurements from cryogenic hydrogen jets using the linac coherent light source [J].

Fletcher, L. B. ;

Zastrau, U. ;

Galtier, E. ;

Gamboa, E. J. ;

Goede, S. ;

Schumaker, W. ;

Ravasio, A. ;

Gauthier, M. ;

MacDonald, M. J. ;

Chen, Z. ;

Granados, E. ;

Lee, H. J. ;

Fry, A. ;

Kim, J. B. ;

Roedel, C. ;

Mishra, R. ;

Pelka, A. ;

Kraus, D. ;

Barbrel, B. ;

Doppner, T. ;

Glenzer, S. H. .

REVIEW OF SCIENTIFIC INSTRUMENTS, 2016, 87 (11)

[46] X-ray Thomson scattering spectra from density functional theory molecular dynamics simulations based on a modified Chihara formula [J].

Schoerner, Maximilian ;

Bethkenhagen, Mandy ;

Doeppner, Tilo ;

Kraus, Dominik ;

Fletcher, Luke B. ;

Glenzer, Siegfried H. ;

Redmer, Ronald .

PHYSICAL REVIEW E, 2023, 107 (06)

[47] Equation of state of TiH2 up to 90 GPa: A synchrotron x-ray diffraction study and ab initio calculations [J].

Kalita, Patricia E. ;

Sinogeikin, Stanislav V. ;

Lipinska-Kalita, Kristina ;

Hartmann, Thomas ;

Ke, Xuezhi ;

Chen, Changfeng ;

Cornelius, Andrew .

JOURNAL OF APPLIED PHYSICS, 2010, 108 (04)

[48] Structure of the Al13Co4(100) surface: Combination of surface x-ray diffraction and ab initio calculations [J].

Gaudry, E. ;

Chatelier, C. ;

McGuirk, G. M. ;

Serkovic Loli, L. N. ;

de Weerd, M. -C. ;

Ledieu, J. ;

Fournee, V. ;

Felici, R. ;

Drnec, J. ;

Beutier, G. ;

de Boissieu, M. .

PHYSICAL REVIEW B, 2016, 94 (16)

[49] Dense plasma X-ray scattering: Methods and applications [J].

Glenzer, S. H. ;

Lee, H. J. ;

Davis, P. ;

Doeppner, T. ;

Falcone, R. W. ;

Fortmann, C. ;

Hammel, B. A. ;

Kritcher, A. L. ;

Landen, O. L. ;

Lee, R. W. ;

Munro, D. H. ;

Redmer, R. ;

Weber, S. .

HIGH ENERGY DENSITY PHYSICS, 2010, 6 (01) :1-8

[50] X-ray scattering from warm dense iron [J].

White, S. ;

Nersisyan, G. ;

Kettle, B. ;

Dzelzainis, T. W. J. ;

McKeever, K. ;

Lewis, C. L. S. ;

Otten, A. ;

Siegenthaler, K. ;

Kraus, D. ;

Roth, M. ;

White, T. ;

Gregori, G. ;

Gericke, D. O. ;

Baggott, R. ;

Chapman, D. A. ;

Wuensch, K. ;

Vorberger, J. ;

Riley, D. .

HIGH ENERGY DENSITY PHYSICS, 2013, 9 (03) :573-577

← 1 2 3 4 5 →