Study of the microdynamics of liquid lithium and lithium-hydrogen melt by inelastic neutron scattering

doi:10.1134/S1063774507030212

Title: Study of the microdynamics of liquid lithium and lithium-hydrogen melt by inelastic neutron scattering

Full Record
Similar

Abstract

The frequency spectra of vibrations of Li atoms at temperatures of 22, 227, 397, and 557 deg. C and the lithium-hydrogen melt (98 at % {sup 7}Li, 2 at % H) at 557 deg. C have been obtained from the experimental neutron inelastic scattering data. On the basis of the frequency spectra, the temperature dependences of the mean-square displacement of Li atoms, the mean-square amplitudes of atomic vibrations, and the velocity autocorrelation function of atoms have been calculated. The speed of sound in liquid lithium has been estimated within the Debye model. The frequency spectra of lithium-hydrogen melt and solid lithium hydride are compared. A generalized frequency spectrum of vibrations of hydrogen atoms in lithium-hydrogen melt is obtained.

Authors:

Blagoveshchenskii, N. M.; Morozov, V. A.; Novikov, A. G.; Pashnev, M. A., E-mail: pashma@ippe.ru; Savostin, V. V. ^[1]; Shimkevich, A. L. ^[2]

Leipunskii Institute of Physics and Power Engineering (Russian Federation)
Russian Research Centre 'Kurchatov Institute' (Russian Federation)

Publication Date:: Tue May 15 00:00:00 EDT 2007

OSTI Identifier:: 21090914

Resource Type:: Journal Article

Resource Relation:: Journal Name: Crystallography Reports; Journal Volume: 52; Journal Issue: 3; Other Information: DOI: 10.1134/S1063774507030212; Copyright (c) 2007 Nauka/Interperiodica; Article Copyright (c) 2007 Pleiades Publishing, Inc; Country of input: International Atomic Energy Agency (IAEA)

Country of Publication:: United States

Language:: English

Subject:: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; HYDROGEN; INELASTIC SCATTERING; LIQUIDS; LITHIUM; LITHIUM HYDRIDES; NEUTRON DIFFRACTION; SOUND WAVES; SPECTRA; TEMPERATURE DEPENDENCE; TEMPERATURE RANGE 0273-0400 K; TEMPERATURE RANGE 0400-1000 K; VELOCITY

Citation Formats


                    Blagoveshchenskii, N. M., Morozov, V. A., Novikov, A. G., Pashnev, M. A., E-mail: pashma@ippe.ru, Savostin, V. V., and Shimkevich, A. L.. Study of the microdynamics of liquid lithium and lithium-hydrogen melt by inelastic neutron scattering.  United States: N. p., 2007. 
        Web.  doi:10.1134/S1063774507030212.

Copy to clipboard


                    Blagoveshchenskii, N. M., Morozov, V. A., Novikov, A. G., Pashnev, M. A., E-mail: pashma@ippe.ru, Savostin, V. V., & Shimkevich, A. L.. Study of the microdynamics of liquid lithium and lithium-hydrogen melt by inelastic neutron scattering.  United States.  doi:10.1134/S1063774507030212.

Copy to clipboard


                    Blagoveshchenskii, N. M., Morozov, V. A., Novikov, A. G., Pashnev, M. A., E-mail: pashma@ippe.ru, Savostin, V. V., and Shimkevich, A. L.. Tue .  
        "Study of the microdynamics of liquid lithium and lithium-hydrogen melt by inelastic neutron scattering".  United States.  
        doi:10.1134/S1063774507030212.

Copy to clipboard


                    
@article{osti_21090914,

  title        = {Study of the microdynamics of liquid lithium and lithium-hydrogen melt by inelastic neutron scattering},

  author       = {Blagoveshchenskii, N. M. and Morozov, V. A. and Novikov, A. G. and Pashnev, M. A., E-mail: pashma@ippe.ru and Savostin, V. V. and Shimkevich, A. L.},

  abstractNote = {The frequency spectra of vibrations of Li atoms at temperatures of 22, 227, 397, and 557 deg. C and the lithium-hydrogen melt (98 at % {sup 7}Li, 2 at % H) at 557 deg. C have been obtained from the experimental neutron inelastic scattering data. On the basis of the frequency spectra, the temperature dependences of the mean-square displacement of Li atoms, the mean-square amplitudes of atomic vibrations, and the velocity autocorrelation function of atoms have been calculated. The speed of sound in liquid lithium has been estimated within the Debye model. The frequency spectra of lithium-hydrogen melt and solid lithium hydride are compared. A generalized frequency spectrum of vibrations of hydrogen atoms in lithium-hydrogen melt is obtained.},

  doi          = {10.1134/S1063774507030212},

  journal      = {Crystallography Reports},

  number       = 3,

  volume       = 52,

  place        = {United States},

  year         = {Tue May 15 00:00:00 EDT 2007},

  month        = {Tue May 15 00:00:00 EDT 2007}

}

Copy to clipboard

Journal Article:

DOI: 10.1134/S1063774507030212

Other availability

Find in Google Scholar

Search WorldCat to find libraries that may hold this journal

Save / Share:

Export Metadata

Save to My Library

Inelastic neutron scattering from liquid and solid hydrogen at high momentum transfer

Langel, W. ; Price, D.L. ; Simmons, R.O. ; ... - Phys. Rev. B: Condens. Matter; (United States)

Solid and liquid para-hydrogen and a solid mixture of ortho- and para-hydrogen have been studied by inelastic neutron scattering at momentum transfers from 5 to 30 A/sup -1/. The observed scattering function can be interpreted in terms of scattering from independent hydrogen molecules using the impulse approximation when internal excitations of the molecules are included. Scattering peaks are observed at the recoil energy, shifted by the energy of the internal rotational transitions, and broadened by the translational motion of the molecules. The peaks can be fitted by Gaussian functions, showing that, to within the accuracy of the measurement, the translationalmore »« less
DOI: 10.1103/PhysRevB.38.11275
Test of the consistency of various linearized semiclassical initial value time correlation functions in application to inelastic neutron scattering from liquid para-hydrogen

Miller, William ; Liu, Jian ; Miller, William H. - Journal of Chemical Physics

The linearized approximation to the semiclassical initial value representation (LSC-IVR) is used to calculate time correlation functions relevant to the incoherent dynamic structure factor for inelastic neutron scattering from liquid para-hydrogen at 14 K. Various time correlations functions were used which, if evaluated exactly, would give identical results, but they do not because the LSC-IVR is approximate. Some of the correlation functions involve only linear operators, and others involve non-linear operators. The consistency of the results obtained with the various time correlation functions thus provides a useful test of the accuracy of the LSC-IVR approximation and its ability to treatmore »« less
Full Text Available
Inelastic neutron scattering study of the activation of molecular hydrogen in silver-exchanged a zeolite : first step in the reduction to metallic silver at low temperature.

Tam, C. N. ; Trouw, F. R. ; Iton, L. E. - J. Phys. Chem. A

No abstract prepared.
DOI: 10.1021/jp022695r
Combined inelastic neutron scattering and solid state density functional theory study of dynamics of hydrogen atoms in muscovite 2M1

Smrčok, Ľubomír ; Rieder, Milan ; Kolesnikov, Alexander I ; ... - American Mineralogist

Inelastic neutron scattering (INS) was used to study dynamics of the hydrogen atoms in natural 2M1 muscovite in the 150-1200 cm-1 energy range. The resultant INS spectra are interpreted by means of solid state density functional theory calculations covering both normal mode analysis and molecular dynamics that include anharmonic conributions. While signatures of the Al-O-H bending modes were found over the whole energy transfer range, the dominant contributions were observed between 800-1000 cm-1. The modes assigned to the in-plane movements of the respective hydrogen atoms are well-defined and always appear at high energies. In contrast, the modes corresponding to themore »« less
DOI: 10.2138/am.2011.3618
Combined inelastic neutron scattering and solid state DFT study of dynamics of hydrogen atoms in trioctahedral 1M phlogopite

Smrčok, Ľubomír ; Kolesnikov, Alexander I ; Rieder, Milan - Physics and Chemistry of Minerals

Inelastic neutron scattering (INS) was used to study vibrational dynamics of the hydrogen atoms in natural trioctahedral phlogopite, K0.93Na0.03(Mg2.47Fe0.22Al0.16Fe0.04Tl0.06)[Si2.84Al1.16]O10OH1.71F0.28Cl0.01, within the 50-1000 cm-1 energy range. The INS spectra collected using direct geometry spectrometer SEQUOIA at ORNL were interpreted by means of the solid-state DFT calculations covering both normal mode analysis and molecular dynamics. To optimize the structure and to calculate the vibrational modes under harmonic approximation both a hybrid PBE0 and the AM05 functional were used, while the molecular dynamics calculations (60ps/1fs) were performed only with the computationally less-demanding AM05 functional. The main contributions to the dominant band within ~750-550more »« less
DOI: 10.1007/s00269-012-0532-x