000089698 001__ 89698
000089698 005__ 20210902121714.0
000089698 0247_ $$2doi$$a10.1107/S1600576720002290
000089698 0248_ $$2sideral$$a117833
000089698 037__ $$aART-2020-117833
000089698 041__ $$aeng
000089698 100__ $$0(orcid)0000-0002-8173-1846$$aLaliena, Víctor
000089698 245__ $$aMonte Carlo simulation of neutron scattering by a textured polycrystal
000089698 260__ $$c2020
000089698 5060_ $$aAccess copy available to the general public$$fUnrestricted
000089698 5203_ $$aA method of simulating the neutron scattering by a textured polycrystal is presented. It is based on an expansion of the scattering cross sections in terms of the spherical harmonics of the incident and scattering directions, which is derived from the generalized Fourier expansion of the polycrystal orientation distribution function. The method has been implemented in a Monte Carlo code as a component of the McStas software package, and it has been validated by computing some pole figures of a Zircaloy-4 plate and a Zr-2.5Nb pressure tube, and by simulating an ideal transmission experiment. The code can be used to estimate the background generated by components of neutron instruments such as pressure cells, whose walls are made of alloys with significant crystallographic texture. As a first application, the effect of texture on the signal-to-noise ratio was studied in a simple model of a diffraction experiment, in which a sample is placed inside a pressure cell made of a zirconium alloy. With this setting, the results of two simulations were compared: one in which the pressure-cell wall has a uniform distribution of grain orientations, and another in which the pressure cell has the texture of a Zr-2.5Nb pressure tube. The results showed that the effect of the texture of the pressure cell on the noise of a diffractogram is very important. Thus, the signal-to-noise ratio can be controlled by appropriate choice of the texture of the pressure-cell walls.
000089698 536__ $$9info:eu-repo/grantAgreement/ES/CSIC/I-COOP-B20319$$9info:eu-repo/grantAgreement/EC/H2020/654000/EU/World class Science and Innovation with Neutrons in Europe 2020/SINE2020$$9This project has received funding from the European Union’s Horizon 2020 research and innovation program under grant agreement No H2020 654000-SINE2020$$9info:eu-repo/grantAgreement/ES/MICINN/PGC2018-099024-B-I00
000089698 540__ $$9info:eu-repo/semantics/openAccess$$aby$$uhttp://creativecommons.org/licenses/by/3.0/es/
000089698 590__ $$a3.304$$b2020
000089698 591__ $$aCHEMISTRY, MULTIDISCIPLINARY$$b85 / 178 = 0.478$$c2020$$dQ2$$eT2
000089698 591__ $$aCRYSTALLOGRAPHY$$b7 / 25 = 0.28$$c2020$$dQ2$$eT1
000089698 592__ $$a1.429$$b2020
000089698 593__ $$aBiochemistry, Genetics and Molecular Biology (miscellaneous)$$c2020$$dQ1
000089698 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/publishedVersion
000089698 700__ $$aVicente-Álvarez, Miguel Ángel
000089698 700__ $$0(orcid)0000-0002-3600-1721$$aCampo, Javier$$uUniversidad de Zaragoza
000089698 7102_ $$12003$$2395$$aUniversidad de Zaragoza$$bDpto. Física Materia Condensa.$$cÁrea Física Materia Condensada
000089698 773__ $$g53, Part 2 (2020), 512-529$$pJ. appl. crystallogr.$$tJournal of Applied Crystallography$$x0021-8898
000089698 8564_ $$s3344366$$uhttps://zaguan.unizar.es/record/89698/files/texto_completo.pdf$$yVersión publicada
000089698 8564_ $$s46617$$uhttps://zaguan.unizar.es/record/89698/files/texto_completo.jpg?subformat=icon$$xicon$$yVersión publicada
000089698 909CO $$ooai:zaguan.unizar.es:89698$$particulos$$pdriver
000089698 951__ $$a2021-09-02-09:22:56
000089698 980__ $$aARTICLE