The HighScore suite

Degen, Thomas; Sadki, Mustapha; Bron, Egbert; König, U.; Nénert, Gwilherm

doi:10.1017/s0885715614000840

Cited by 980 publications

(606 citation statements)

References 24 publications

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“…The calculated pattern is based on the structure model obtained from single-crystal data and is generated using XPow [41]. Powder data were refined with the Rietveld method using the semi-automatic module in HighScore+ software [42]. Unit-cell parameters refined from the powder data are as follows: a = 5.4262(4) Å, b = 11.1468(7) Å, c = 5.5308(3) Å, V = 334.5(3) Å 3 , Z = 2.…”

Section: X-ray Crystallographymentioning

confidence: 99%

Sharyginite, Ca3TiFe2O8, A New Mineral from the Bellerberg Volcano, Germany

et al. 2018

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Abstract:The new mineral sharyginite, Ca 3 TiFe 2 O 8 (P2 1 ma, Z = 2, a = 5.423(2) Å, b = 11.150(8) Å, c = 5.528(2) Å, V = 334.3(3) Å 3 ), a member of the anion deficient perovskite group, was discovered in metacarbonate xenoliths in alkali basalt from the Caspar quarry, Bellerberg volcano, Eifel, Germany. In the holotype specimen, sharyginite is widespread in the contact zone of xenolith with alkali basalt. Sharyginite is associated with fluorellestadite, cuspidine, brownmillerite, rondorfite, larnite and minerals of the chlormayenite-wadalite series. The mineral usually forms flat crystals up to 100 µm in length, which are formed by pinacoids {100}, {010} and {001}. Crystals are flattened on (010). Sharyginite is dark brown, opaque with a brown streak and has a sub-metallic lustre. In reflected light, it is light grey and exhibits rare yellowish-brown internal reflections. The calculated density of sharyginite is 3.943 g·cm -3 . The empirical formula calculated on the basis of 8 O apfu is Ca 3.00 (Fe 3+ octahedra, which are separated by single layers of (Fe 3+ O 4 ) tetrahedra. We suggest that sharyginite formed after perovskite at high-temperature conditions >1000 • C.

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Section: X-ray Crystallographymentioning

confidence: 99%

Sharyginite, Ca3TiFe2O8, A New Mineral from the Bellerberg Volcano, Germany

et al. 2018

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“…X-ray diffraction (XRD) analysis was performed using a PANalytical Empyrean XRD (Spectris plc, Almelo, The Netherlands) to retrieve crystallographic information and phase quantities in bulk specimens. Experimental XRD patterns were refined using Rietveld analysis in the PANalytical X'pert Highscore software (Version 3.0.2, Almelo, The Netherlands) [24] and compared with standard patterns obtained from Pearson's crystal database [25].…”

Section: Horizontal Cross Sectionmentioning

confidence: 99%

“…The microstructural variation in these sections can be attributed to the large thermal gradient between older and newer deposited layers during melting. Cooling rates between layers were estimated to be between 200-5000 °C /s for stainless steel during laser melting deposition (LMD) [24]. Section 1 is subjected to lower rates of cooling since successive layers add heat to the matrix and the distance that the laser must travel dwindles near the top causing faster layer deposition and lowering the time for cooling between layers.…”

Section: Microstructure Of the As-printed Inconel 718mentioning

confidence: 99%

Microstructural and Microhardness Evolution from Homogenization and Hot Isostatic Pressing on Selective Laser Melted Inconel 718: Structure, Texture, and Phases

Seede

Mostafa

Braïlovski

et al. 2018

JMMP

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Abstract:In this work, the microstructure, texture, phases, and microhardness of 45 • printed (with respect to the build direction) homogenized, and hot isostatically pressed (HIP) cylindrical IN718 specimens are investigated. Phase morphology, grain size, microhardness, and crystallographic texture at the bottom of each specimen differ from those of the top due to changes in cooling rate. High cooling rates during the printing process generated a columnar grain structure parallel to the building direction in the as-printed condition with a texture transition from (001) orientation at the bottom of the specimen to (111) orientation towards the specimen top based on EBSD analysis. A mixed columnar and equiaxed grain structure associated with about a 15% reduction in texture is achieved after homogenization treatment. HIP treatment caused significant grain coarsening, and engendered equiaxed grains with an average diameter of 154.8 µm. These treatments promoted the growth of δ-phase (Ni 3 Nb) and MC-type brittle (Ti, Nb)C carbides at grain boundaries. Laves phase (Fe 2 Nb) was also observed in the as-printed and homogenized specimens. Ostwald ripening of (Ti, Nb)C carbides caused excessive grain growth at the bottom of the HIPed IN718 specimens, while smaller grains were observed at their top. Microhardness in the as-fabricated specimens was 236.9 HV and increased in the homogenized specimens by 19.3% to 282.6 HV due to more even distribution of secondary precipitates, and the nucleation of smaller grains. A 36.1% reduction in microhardness to 180.5 HV was found in the HIPed condition due to γ phase dissolution and differences in grain morphology.

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“…For the studies presented in this paper, a PANalytical CubiX 3 Iron industrial diffractometer with a Co anode, incident iron filter and highspeed X'Celerator detector was used, featuring measurement times of less than 8 minutes per scan. Data evaluation was done using the software package HighScore Plus version 4.1, Degen et al [5]. Two different quantification methods were trialled, Partial LeastSquares Regression (PLSR) and the Rietveld method Rietveld [6].…”

Section: Methodsmentioning

confidence: 99%

From Iron Ore to Iron Sinter – Process Control Using X-Ray Diffraction (Xrd)

König¹,

Norberg²,

Gobbo³

2017

Anais Dos Seminários De Redução, Minério De Ferro E Aglomeração

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Traditionally quality control of iron ore sinter, its raw materials and raw mixtures has relied on time-consuming wet chemistry. The mineralogical composition that defines the properties is often not monitored. XRD analysis in combination with Rietveld quantification and statistical data evaluation using Partial Least-Square Regression (PLSR) has been successfully established to determine the mineralogical composition and process parameters such as the FeO (Fe 2+ ) content and basicity of iron sinter within an analysis time of less than 8 minutes per sample. Both methods take the full XRD pattern into account and can be simultaneously applied on the same measurement. In addition the Rietveld method was used to quantify the phase content of raw mixtures to monitor the composition of blending beds.

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The HighScore suite

Cited by 980 publications

References 24 publications

Sharyginite, Ca3TiFe2O8, A New Mineral from the Bellerberg Volcano, Germany

Sharyginite, Ca3TiFe2O8, A New Mineral from the Bellerberg Volcano, Germany

Microstructural and Microhardness Evolution from Homogenization and Hot Isostatic Pressing on Selective Laser Melted Inconel 718: Structure, Texture, and Phases

From Iron Ore to Iron Sinter – Process Control Using X-Ray Diffraction (Xrd)

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