Convolutional discrete Fourier transform method for calculating thermal neutron cross section in liquids

Being exact at both short- and long-time limits, the Gaussian approximation is widely used to calculate neutron incoherent inelastic scattering functions in liquids. However, to overcome a few numerical difficulties, extra physical approximations are often employed to ease the evaluation. In this wo...

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Vydáno v:Journal of computational physics Ročník 466; s. 111382
Hlavní autoři: Du, Rong, Cai, Xiao-Xiao
Médium: Journal Article
Jazyk:angličtina
Vydáno: Cambridge Elsevier Science Ltd 01.10.2022
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ISSN:0021-9991, 1090-2716
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Shrnutí:Being exact at both short- and long-time limits, the Gaussian approximation is widely used to calculate neutron incoherent inelastic scattering functions in liquids. However, to overcome a few numerical difficulties, extra physical approximations are often employed to ease the evaluation. In this work, a new numerical method, called convolutional discrete Fourier transform, is proposed to perform Fourier transform of exp⁡[−f(t)]. We have applied this method to compute the differential cross sections of light water up to 10 eV. The obtained results, thoroughly benchmarked against experimental data, showed a much higher dynamic range than conventional fast Fourier transform. The calculated integral cross sections agree closely with the light water data in the state-of-the-art nuclear data library. It is in evidence that this numerical method can be used in the place of the extra physical approximations.
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ISSN:0021-9991
1090-2716
DOI:10.1016/j.jcp.2022.111382