<i>CTEAS</i>: a graphical-user-interface-based program to determine thermal expansion from high-temperature X-ray diffraction

Jones, Zachary; Sarin, P.; Haggerty, R.; Kriven, Waltraud M.

doi:10.1107/s0021889813002938

Cited by 29 publications

(35 citation statements)

References 4 publications

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“…A small incident slit was used to define the beam size of 0.2 mm (vertical) by 3.0 mm (horizontal), and the detector was positioned at approximately 1045 mm from the samples. 48 It should be noted that the powder samples of LaN-bO 4 and DyNbO 4 used for the HTXRD studies had been prepared by calcination at 1000°C for 2 h, while the YNbO 4 powder samples were prepared by grinding of dense YNbO 4 rod specimen sintered at 1500°C for 3 h. In all the experiments, Pt powder (99.9% pure, particle size 0.15-0.45 lm; Aldrich Chemical Company) was mixed with the sample powders to determine sample temperature from the measured expansion of the Pt lattice parameter at each temperature.…”

Section: Methodsmentioning

confidence: 99%

“…37,58,59 This was verified by conducting a rigorous crystallographic analysis of monoclinic phase of all the studied LnNbO 4 systems for both NbO 4 and possible NbO 6 coordination of the niobium ion. 48 The thermal expansion was not approximated by a linear function as both the "a" and "c" lattice parameters of the m-LnNbO 4 phase varied nonlinearly with temperature. Each O1 and O2 is also shared with two LnO 8 polyhedra.…”

Section: (5) Crystal Structure Of the Monoclinic And The Tetragonal Pmentioning

confidence: 99%

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High‐Temperature Properties and Ferroelastic Phase Transitions in Rare‐Earth Niobates (LnNbO₄)

et al. 2014

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Phase transition and high‐temperature properties of rare‐earth niobates (LnNbO4, where Ln = La, Dy and Y) were studied in situ at high temperatures using powder X‐ray diffraction and thermal analysis methods. These materials undergo a reversible, pure ferroelastic phase transition from a monoclinic (S.G. I2/a) phase at low temperatures to a tetragonal (S.G. I41/a) phase at high temperatures. While the size of the rare‐earth cation is identified as the key parameter, which determines the transition temperature in these materials, it is the niobium cation which defines the mechanism. Based on detailed crystallographic analysis, it was concluded that only distortion of the NbO4 tetrahedra is associated with the ferroelastic transition in the rare‐earth niobates, and no change in coordination of Nb5+ cation. The distorted NbO4 tetrahedron, it is proposed, is energetically more stable than a regular tetrahedron (in tetragonal symmetry) due to decrease in the average Nb–O bond distance. The distortion is affected by the movement of Nb5+ cation along the monoclinic b‐axis (tetragonal c‐axis before transition), and is in opposite directions in alternate layers parallel to the (010). The net effect on transition is a shear parallel to the monoclinic [100] and a contraction along the monoclinic b‐axis. In addition, anisotropic thermal expansion properties and specific heat capacity changes accompanying the transition in the studied rare‐earth niobate systems are also discussed.

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Section: Methodsmentioning

confidence: 99%

Section: (5) Crystal Structure Of the Monoclinic And The Tetragonal Pmentioning

confidence: 99%

High‐Temperature Properties and Ferroelastic Phase Transitions in Rare‐Earth Niobates (LnNbO₄)

et al. 2014

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“…The mixed powder was then sieved using a standard 325-mesh (45 lm) and loosely packed into a sapphire capillary that was mounted in a longer alumina tube. 16 19 The experiments were conducted at beamline 33BM-C of the Advanced Photon Source (APS) at Argonne National Laboratory in Lemont, IL.…”

Section: (1) Powder Synthesis and Preliminary Characterizationmentioning

confidence: 99%

Relationship Between the Orthorhombic and Hexagonal Phases in Dy₂TiO₅

et al. 2016

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The thermal expansion of Dy2TiO5 in the hexagonal phase was evaluated and compared with the orthorhombic phase using in situ high‐temperature X‐ray diffraction. The crystal structure, volume changes before and after the transformation process, as well as the mechanism behind the thermal expansion behavior was determined and proposed. It was found that in the hexagonal phase, the thermal expansion was caused by the oxygen anions in the axial positions of the trigonal bipyramidal structure moving toward the central Ti atom. While expanding, the movement of these oxygen anions slows the expansion along the c‐axis resulting in a decrease in α33 with temperature. Furthermore, a structural relationship between the orthorhombic and the hexagonal phases was proposed.

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“…The eigenvalues were used to plot 3D thermal expansion ellipsoids as described in ref. [38,39], in which the CTE along any radius vector of a unit sphere (x',y',z') is given as:…”

Section: Cte Determinationmentioning

confidence: 99%

Anisotropic thermal expansion of Ni 3 Sn 4 , Ag 3 Sn, Cu 3 Sn, Cu 6 Sn 5 and βSn

et al. 2017

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The directional coefficient of thermal expansion (CTE) of intermetallics in electronic interconnections is a key thermophysical property that is required for microstructurelevel modelling of solder joint reliability. Here, CTE ellipsoids are measured for key solder intermetallics using synchrotron x-ray diffraction (XRD). The role of the crystal structure used for refinement on the CTE shape and temperature dependence is investigated. The results are used to discuss the Sn-IMC orientation relationships (ORs) that minimise the in-plane CTE mismatch on IMC growth facets, which are measured with electron backscatter diffraction (EBSD) in solder joints on Cu and Ni substrates. The CTE mismatch in fully-intermetallic joints is discussed, and the relationship between the directional CTE of monoclinic and hexagonal polymorphs of Cu6Sn5 is explored.

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CTEAS: a graphical-user-interface-based program to determine thermal expansion from high-temperature X-ray diffraction

Cited by 29 publications

References 4 publications

High‐Temperature Properties and Ferroelastic Phase Transitions in Rare‐Earth Niobates (LnNbO₄)

High‐Temperature Properties and Ferroelastic Phase Transitions in Rare‐Earth Niobates (LnNbO₄)

Relationship Between the Orthorhombic and Hexagonal Phases in Dy₂TiO₅

Anisotropic thermal expansion of Ni 3 Sn 4 , Ag 3 Sn, Cu 3 Sn, Cu 6 Sn 5 and βSn

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CTEAS: a graphical-user-interface-based program to determine thermal expansion from high-temperature X-ray diffraction

Cited by 29 publications

References 4 publications

High‐Temperature Properties and Ferroelastic Phase Transitions in Rare‐Earth Niobates (LnNbO4)

High‐Temperature Properties and Ferroelastic Phase Transitions in Rare‐Earth Niobates (LnNbO4)

Relationship Between the Orthorhombic and Hexagonal Phases in Dy2TiO5

Anisotropic thermal expansion of Ni 3 Sn 4 , Ag 3 Sn, Cu 3 Sn, Cu 6 Sn 5 and βSn

Contact Info

Product

Resources

About

High‐Temperature Properties and Ferroelastic Phase Transitions in Rare‐Earth Niobates (LnNbO₄)

High‐Temperature Properties and Ferroelastic Phase Transitions in Rare‐Earth Niobates (LnNbO₄)

Relationship Between the Orthorhombic and Hexagonal Phases in Dy₂TiO₅