Calculation of thermal diffuse scattering

N. Wakabayashi; R. M. Nicklow; S. Katano; Y. Ishii; H. R. Child; H. G. Smith; J. A. Fernandez-Baca

doi:10.1016/S0921-4526(97)00573-5

Calculation of thermal diffuse scattering

N. Wakabayashi, R. M. Nicklow, S. Katano, Y. Ishii, H. R. Child, H. G. Smith, J. A. Fernandez-Baca

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Abstract

We have developed a computer program to calculate the thermal diffuse scattering (TDS) intensity distribution for single-crystal specimens in a diffractometer with no energy analysis. We assumed that the phonon frequencies are approximated by those of elastic waves and that the elastic constants, density and lattice parameters of the system under study are known. The results of the calculations were compared to experimental data obtained for single crystals of Si, diamond and NiAl at the wide-angle neutron diffractometer (WAND) at the HFIR at Oak Ridge National Laboratory. Excellent agreement was found between the calculations and the experimental observations.

Original language	English
Pages (from-to)	320-322
Number of pages	3
Journal	Physica B: Physics of Condensed Matter
Volume	241-243
DOIs	https://doi.org/10.1016/S0921-4526(97)00573-5
State	Published - 1997

Funding

This work was supported by JAERI and ORNL under the JAERI-DOE Cooperative Program on Neutron Scattering. ORNL is managed by Lock-heed Martin Energy Research Corp. for the US DOE under contract number DE-AC05-96OR22464.

Funders	Funder number
U.S. Department of Energy	DE-AC05-96OR22464
Oak Ridge National Laboratory
Japan Atomic Energy Research Institute

Keywords

Neutron instrumentation
Single-crystal diffraction
Thermal diffuse scattering

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10.1016/S0921-4526(97)00573-5

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title = "Calculation of thermal diffuse scattering",

abstract = "We have developed a computer program to calculate the thermal diffuse scattering (TDS) intensity distribution for single-crystal specimens in a diffractometer with no energy analysis. We assumed that the phonon frequencies are approximated by those of elastic waves and that the elastic constants, density and lattice parameters of the system under study are known. The results of the calculations were compared to experimental data obtained for single crystals of Si, diamond and NiAl at the wide-angle neutron diffractometer (WAND) at the HFIR at Oak Ridge National Laboratory. Excellent agreement was found between the calculations and the experimental observations.",

keywords = "Neutron instrumentation, Single-crystal diffraction, Thermal diffuse scattering",

author = "N. Wakabayashi and Nicklow, {R. M.} and S. Katano and Y. Ishii and Child, {H. R.} and Smith, {H. G.} and Fernandez-Baca, {J. A.}",

year = "1997",

doi = "10.1016/S0921-4526(97)00573-5",

language = "English",

volume = "241-243",

pages = "320--322",

journal = "Physica B: Physics of Condensed Matter",

issn = "0921-4526",

publisher = "Elsevier",

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TY - JOUR

T1 - Calculation of thermal diffuse scattering

AU - Wakabayashi, N.

AU - Nicklow, R. M.

AU - Katano, S.

AU - Ishii, Y.

AU - Child, H. R.

AU - Smith, H. G.

AU - Fernandez-Baca, J. A.

PY - 1997

Y1 - 1997

N2 - We have developed a computer program to calculate the thermal diffuse scattering (TDS) intensity distribution for single-crystal specimens in a diffractometer with no energy analysis. We assumed that the phonon frequencies are approximated by those of elastic waves and that the elastic constants, density and lattice parameters of the system under study are known. The results of the calculations were compared to experimental data obtained for single crystals of Si, diamond and NiAl at the wide-angle neutron diffractometer (WAND) at the HFIR at Oak Ridge National Laboratory. Excellent agreement was found between the calculations and the experimental observations.

AB - We have developed a computer program to calculate the thermal diffuse scattering (TDS) intensity distribution for single-crystal specimens in a diffractometer with no energy analysis. We assumed that the phonon frequencies are approximated by those of elastic waves and that the elastic constants, density and lattice parameters of the system under study are known. The results of the calculations were compared to experimental data obtained for single crystals of Si, diamond and NiAl at the wide-angle neutron diffractometer (WAND) at the HFIR at Oak Ridge National Laboratory. Excellent agreement was found between the calculations and the experimental observations.

KW - Neutron instrumentation

KW - Single-crystal diffraction

KW - Thermal diffuse scattering

UR - http://www.scopus.com/inward/record.url?scp=11544296068&partnerID=8YFLogxK

U2 - 10.1016/S0921-4526(97)00573-5

DO - 10.1016/S0921-4526(97)00573-5

M3 - Article

AN - SCOPUS:11544296068

SN - 0921-4526

VL - 241-243

SP - 320

EP - 322

JO - Physica B: Physics of Condensed Matter

JF - Physica B: Physics of Condensed Matter

ER -

Calculation of thermal diffuse scattering

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