Hydrogen dynamics in Na3AlH6: A combined density functional theory and quasielastic neutron scattering study

G. Zsigmond; S. Manoshin; K. Lieutenant; P.A. Seeger; P. Christiansen; Peter Kjær Willendrup; Kim Lefmann

doi:10.1016/j.physb.2007.02.040

Hydrogen dynamics in Na3AlH6: A combined density functional theory and quasielastic neutron scattering study

G. Zsigmond, S. Manoshin, K. Lieutenant, P.A. Seeger, P. Christiansen, Peter Kjær Willendrup, Kim Lefmann

Research output: Contribution to journal › Conference article › Research › peer-review

Abstract

Handling of polarization became very important in simulations of neutron scattering. One of the very comprehensive and open-source neutron simulation package, VITESS, has been intensely involved in polarized neutron simulations. Several examples will be shown here. Another similar package NISP also contains polarization tools. McStas has implemented an initial set of routines handling polarization, as our examples will also show.

Original language	English
Journal	Physica B: Condensed Matter
Volume	397
Issue number	1-2
Pages (from-to)	115-119
ISSN	0921-4526
DOIs	https://doi.org/10.1016/j.physb.2007.02.040
Publication status	Published - 2007
Event	International workshop on polarised neutrons in condensed matter investigations - Berlin (DE) Duration: 1 Jan 2006 → … Conference number: 6

Conference

Conference	International workshop on polarised neutrons in condensed matter investigations
Number	6
City	Berlin (DE)
Period	01/01/2006 → …

Keywords

Neutron scattering
Monte Carlo simulations
Polarized neutrons

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10.1016/j.physb.2007.02.040

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title = "Hydrogen dynamics in Na3AlH6: A combined density functional theory and quasielastic neutron scattering study",

abstract = "Handling of polarization became very important in simulations of neutron scattering. One of the very comprehensive and open-source neutron simulation package, VITESS, has been intensely involved in polarized neutron simulations. Several examples will be shown here. Another similar package NISP also contains polarization tools. McStas has implemented an initial set of routines handling polarization, as our examples will also show.",

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author = "G. Zsigmond and S. Manoshin and K. Lieutenant and P.A. Seeger and P. Christiansen and Willendrup, {Peter Kj{\ae}r} and Kim Lefmann",

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AU - Zsigmond, G.

AU - Manoshin, S.

AU - Lieutenant, K.

AU - Seeger, P.A.

AU - Christiansen, P.

AU - Willendrup, Peter Kjær

AU - Lefmann, Kim

N1 - Conference code: 6

PY - 2007

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N2 - Handling of polarization became very important in simulations of neutron scattering. One of the very comprehensive and open-source neutron simulation package, VITESS, has been intensely involved in polarized neutron simulations. Several examples will be shown here. Another similar package NISP also contains polarization tools. McStas has implemented an initial set of routines handling polarization, as our examples will also show.

AB - Handling of polarization became very important in simulations of neutron scattering. One of the very comprehensive and open-source neutron simulation package, VITESS, has been intensely involved in polarized neutron simulations. Several examples will be shown here. Another similar package NISP also contains polarization tools. McStas has implemented an initial set of routines handling polarization, as our examples will also show.

KW - Energiteknologier på vej

KW - Neutron scattering

KW - Monte Carlo simulations

KW - Polarized neutrons

U2 - 10.1016/j.physb.2007.02.040

DO - 10.1016/j.physb.2007.02.040

M3 - Conference article

SN - 0921-4526

VL - 397

SP - 115

EP - 119

JO - Physica B: Condensed Matter

JF - Physica B: Condensed Matter

IS - 1-2

T2 - International workshop on polarised neutrons in condensed matter investigations

Y2 - 1 January 2006

ER -

Hydrogen dynamics in Na3AlH6: A combined density functional theory and quasielastic neutron scattering study

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Keywords

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