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The structure of liquid N-methylformamide (NMF) has been investigated using synchrotron radiation at 77 and 95 keV. The use of high energy photons has several advantages, in this case especially the large accessible momentum transfer range,…

chem-ph · Physics 2015-06-24 J. Neuefeind , M. D. Zeidler , H. F. Poulsen

The intermetallic $\tau_{11}$ Al$_4$Fe$_{1.7}$Si phase is of interest for high-temperature structural application due to its combination of low density and high strength. We determine the crystal structure of the $\tau_{11}$ phase through a…

We utilize single-crystal neutron diffraction to study the $C2/m$ structure of potassium hydrogen carbonate (KHCO$_3$) and macroscopic quantum entanglement above the phase transition at $T_c = 318$ K. Whereas split atom sites could be due…

Other Condensed Matter · Physics 2008-07-10 François Fillaux , Alain Cousson , Matthias J. Gutmann

We present a new complementary strategy to quasicrystalline structure determination: The local atomic structure of simple icosahedral (si) Ho11Mg15Zn74 [a(6D)=5.144(3)A] in a sphere of up to r=17A was refined using the atomic pair…

Materials Science · Physics 2007-05-23 S. Bruehne , E. Uhrig , C. Gross , W. Assmus

LiNiO2 has high energy density but easily reacts with moisture in the atmosphere and deteriorates. We performed qualitative and quantitative evaluations of the degraded phase of LiNiO2 and the influence of the structural change on the…

Materials Science · Physics 2020-08-20 Takahiro Toma , Ryo Maezono , Kenta Hongo

The formation of precipitated zirconium (Zr) hydrides is closely related to the hydrogen embrittlement problem for the cladding materials of pressured water reactors (PWR). In this work, we systematically investigated the crystal structures…

Materials Science · Physics 2017-05-08 Xueyan Zhu , De-Ye Lin , Jun Fang , Xing-Yu Gao , Ya-Fan Zhao , Hai-Feng Song

Surface scattering of neutral helium beams created by supersonic expansion is an established technique for measuring structural and dynamical properties of surfaces on the atomic scale. Helium beams have also been used in Fraunhofer and…

The composition, crystal structure and precipitation crystallography of a newly found precipitate are characterized by a Cs-corrected scanning transmission electron microscopy (STEM). The composition of the plate-like precipitate could be…

Materials Science · Physics 2016-06-27 X. -F. Gu , T. Furuhara

A structure analysis of Zn-Mg-Ho icosahedral quasicrystal was carried out by the powder X-ray diffraction method using synchrotron radiation (Lambda=0.73490 A) at SPring-8. The intensity distribution was analyzed by the Rietveld method…

Hydrogen incorporation in diluted nitride semiconductors dramatically modifies the electronic and structural properties of the crystal through the creation of nitrogen-hydrogen complexes. We report a convergent beam electron-diffraction…

Grazing incidence fast atom diffraction has mainly been investigated with helium atoms, considered as the best possible choice for surface analysis. This article presents experimental diffraction profiles recorded with neon projectile,…

Chemical Physics · Physics 2023-10-24 Maxime Debiossac , Peng Pan , Philippe Roncin

A neutron powder diffraction study has been carried out on Pb(Zr0.52Ti0.48)O3 in order to resolve an ongoing controversy about the nature of the low-temperature structure of this strongly-piezoelectric and technologically-important…

Materials Science · Physics 2009-11-10 D. E. Cox , B. Noheda , G. Shirane

Diffraction of atoms from surfaces provides detailed insights into structures, interactions, and dynamical processes. However, currently the method is limited to measurements in reflection - diffraction through materials has only been…

In the crystal of K$_3$H(SO$_4)_2$, or K$_3$D(SO$_4)_2$, dimers (SO$_4)...$H$...$(SO$_4)$, or (SO$_4)...$D$...$(SO$_4)$, are linked by strong centrosymmetric hydrogen or deuterium bonds whose O$...$O length is $\approx 2.50$ {\AA}. We…

Other Condensed Matter · Physics 2012-09-20 François Fillaux , Alain Cousson

In this manuscript we report helium atom scattering (HAS) measurements of the structure of the first H2O layer on Au(111). The interaction between H2O and Au(111) is believed to be particularly weak and conflicting evidence from several…

Stabilizing nitrogen-rich compound crystals under conventional conditions is a key issue in the development and application of high-energy density materials (HEDMs). Herein, a two-dimensional double-layer interlocked Li4(N5)2 nitrogen-rich…

Materials Science · Physics 2024-12-04 Zhen Gong , Baiqiang Liu , Xinrui Yang , Hongbo Jing , Ruiqi Xu , Zhigang Wang

We have studied hydrogen/lithium complexes in crystalline silicon using density-functional-theory methods and the ab initio random structure searching (AIRSS) method for predicting structures. A method based on the Maxwell construction and…

Materials Science · Physics 2012-01-25 Andrew J. Morris , C. P. Grey , R. J. Needs , Chris J. Pickard

The structure of the recently identified metastable ice XVII, obtained by release of hydrogen from the C$_0$ D$_2$O-H$_2$ compound (filled ice), has been accurately measured by neutron powder diffraction. The diffraction pattern is indexed…

The usefulness of study of hyperfine splitting in the hydrogen atom is limited on a level of 10 ppm by our knowledge of the proton structure. One way to go beyond 10 ppm is to study a specific difference of the hyperfine structure intervals…

Atomic Physics · Physics 2007-05-23 Savely G. Karshenboim

Reversible reaction involving Li amide (LiNH$_{2}$) and Li imide (Li$_{2}$NH) is a potential mechanism for hydrogen storage. Recent synchrotron x-ray diffraction experiments [W. I. David et al., J. Am. Chem. Soc. 129, 1594 (2007)] suggest…

Materials Science · Physics 2014-12-22 Khang Hoang , Anderson Janotti , Chris G. Van de Walle