Inter-atomic distance and temperature dependence of correlation effects among thermal displacements

Xiangliang,; Siagian, Sainer; Basar, Khairul; Sakuma, Takashi; Takahashi, Hiroki; Igawa, Naoki; Ishii, Yoshinobu

doi:10.1016/j.ssi.2008.06.009

Cited by 4 publications

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“…Using the equation 〈 Δu ð Þ 2 〉 = k B T α , the force constants α among first, second and third nearest neighboring atoms are determined from the value of bΔu ss′ 2 N. We estimated the values of correlation effects μ at 90 K from the values at 7 K and 298 K in Table 2 using the result of temperature dependence of correlation effects in other ionic crystals [10]. The Debye temperature of KBr is 218 K. The obtained correlation effects among first, second and third nearest neighboring atoms at 90 K are 0.54, 0.24 and 0.08, respectively.…”

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confidence: 99%

Correlation effects among thermal displacements of atoms in KBr

et al. 2011

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Section: Resultsmentioning

confidence: 99%

Correlation effects among thermal displacements of atoms in KBr

et al. 2011

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“…Particularly, the study of ion dynamics and transport phenomena is more focused in these investigations; either from macroscopic observations like complex impedance/admittance analysis 3) and thermo-mechanical studies 4,5) or from microscopic point of view like NMR, 5) FTIR, 6) X-ray and neutron scattering study. [7][8][9] The versatility of complex impedance/admittance analysis lies in its wholesome description of electrical properties observable in terms of; (i) bulk/d.c. conductivity, (ii) temperature and frequency response of conductivity, (iii) conductivity relaxation and its distribution and (iv) ion dynamics etc.…”

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confidence: 99%

Study of Ion Transport Properties in Nano-YSZ Dispersed Polymer Nanocomposite Films Using Conductivity Spectroscopy

2010

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Ion transport properties in a polymer nanocomposite (PNC) electrolyte based on PEO 8 LiClO 4 dispersed with nano-crystalline of yttria stabilized zirconia (YSZ) has been analyzed using complex conductivity spectroscopy. The scaling of real and imaginary components of conductivity for the polymer salt complex shows deviation from master curve at temperatures below crystalline to amorphous phase transition (T m~7 0 o C). However in PNCs, a single master curve has been obtained for the whole range of temperature o C) indicating a temperature independent ion transport mechanism irrespective of YSZ loading in PNCs. A perfect correlation has been observed for variation of dc conductivity, relaxation peak width (FWHM) and most probable relaxation time ( max ) with variation of filler concentration. A strong interaction of polymer matrix, mobile ions and nano-fillers may be the reason for wider distribution of relaxation time and improved dc conductivity on nano-filler dispersion.

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“…The application of diffuse scattering measurements to the problems of dynamic disorder has been started by neutron diffraction measurement. Broad oscillations of the diffuse scattering intensity of ordered crystals, where there are no static disorder, were observed and explained by the correlation effects among thermal displacements of atoms [2][3][4][5][6]. The interatomic force constant among first nearest neighboring atoms had been obtained from the thermal displacements of atoms in the extended X-ray absorption fine structure (EXAFS) analysis [7][8][9].…”

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Estimation of Phonon Dispersion Relations Using Correlation Effects Among Thermal Displacements of Atoms

et al. 2015

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Neutron diffraction measurement of powder -Fe sample at 295 K was carried out at the high resolution powder diffractometer installed at Japan Proton Accelerator Research Complex (J-PARC). Crystal parameters were determined from Rietveld analysis. The correlation effects among thermal displacements of atoms were estimated from a generalized equation based on the results of fomer diffuse scattering analysis. The force constants among atoms were obtained using an equation for transforming of the correlation effects to force constants. The force constants and the crystal structure of -Fe were used to estimate the phonon dispersion relations, phonon density of states, and specific heat by computer simulation. The obtained force constants among first-nearest-neighboring atoms is 2.3 eV/Å 2 at 295 K and the specific heat is 185 meV/K at 150 K. The calculated phonon dispersion relations and specific heat of -Fe are similar to those obtained from inelastic neutron scattering and specific heat measurements, respectively.

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Inter-atomic distance and temperature dependence of correlation effects among thermal displacements

Cited by 4 publications

References 3 publications

Correlation effects among thermal displacements of atoms in KBr

Correlation effects among thermal displacements of atoms in KBr

Study of Ion Transport Properties in Nano-YSZ Dispersed Polymer Nanocomposite Films Using Conductivity Spectroscopy

Estimation of Phonon Dispersion Relations Using Correlation Effects Among Thermal Displacements of Atoms

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