Algorithm for calculating the thermal expansion tensor and constructing the thermal expansion diagram for crystals

Belousov, Roman; Филатов, С. К.

doi:10.1134/s1087659607030157

Cited by 53 publications

(26 citation statements)

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“…The eigenvalues a ii are obtained from the unit cell parameters p i as a function of temperature (T) in polynomial form [55] and are given by the following relationship:…”

Section: Isobaric Thermal Expansion Tensormentioning

confidence: 99%

Tyrosine alkyl esters as prodrug: the structure and intermolecular interactions of l-tyrosine methyl ester compared to l-tyrosine and its ethyl and n-butyl esters

et al. 2011

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L-Tyrosine alkyl esters are used as prodrugs for L-tyrosine. Although prodrugs are often designed for their behavior in solution, understanding their solid-state properties is the first step in mastering drug delivery. The crystal structure of L-tyrosine methyl ester has been determined and compared to published structures of L-tyrosine and its ethyl and n-butyl esters. It is almost isostructural with the other esters: it crystallizes in the orthorhombic chiral space group P2 1 2 1 2 1 , a = 5.7634(15) Å , b = 12.111(2) Å , c = 14.3713(19) Å , V = 1003.1(4) Å 3 with Z 0 = 1. Their main packing motif is a C(9) infinite hydrogen-bond chain, but the conformation of L-tyrosine methyl ester is different from the other two: eclipsed versus U-shaped, respectively. The published structure of the ethyl ester, which was incomplete, has been confirmed by X-ray powder diffraction data. Because L-tyrosine methyl ester is very stable (28 years stored at room temperature), and its hydrolysis rate is relatively low, it should be one of the better prodrugs among the alkyl esters of tyrosine.

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“…The eigenvalues a ii are obtained from the unit cell parameters p i as a function of temperature (T) in polynomial form [55] and are given by the following relationship:…”

Section: Isobaric Thermal Expansion Tensormentioning

confidence: 99%

Tyrosine alkyl esters as prodrug: the structure and intermolecular interactions of l-tyrosine methyl ester compared to l-tyrosine and its ethyl and n-butyl esters

et al. 2011

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“…Unit cell parameters of a compound at different temperatures were refined by the least-square methods. Main coefficients of the thermal expansion tensor including its orientation relative to the crystallographic axes are determined using polynomial approximation of temperature dependencies for the unit-cell parameters in the range of 20-700 °C by the Belousov and Filatov program [3,41]. The fundamental rules of hightemperature borate crystal chemistry emerge from these studies.…”

Section: Experimental 21 Approaches and Techniquesmentioning

confidence: 99%

Strong anisotropic thermal expansion in borates

Бубнова¹,

Филатов

2008

Physica Status Solidi (b)

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The paper summarizes results of high‐temperature single crystal X‐ray diffraction studies for six borate structures and high‐temperature powder X‐ray diffraction data for about 50 borates. The characteristics on thermal expansion of 50 borates of univalent, bivalent and trivalent metals of different dimensionality and anion structure are listed. The basic principles of high‐temperature borate crystal chemistry emerge from these studies and the regularities of borate thermal behavior are revealed. On heating the BO3 and BO4 polyhedra and rigid groups consisting of these polyhedra practically do not change their configuration and size but sometimes rotate like hinges exhibiting greatly anisotropic thermal expansion including linear negative expansion. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

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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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Algorithm for calculating the thermal expansion tensor and constructing the thermal expansion diagram for crystals

Cited by 53 publications

References 1 publication

Tyrosine alkyl esters as prodrug: the structure and intermolecular interactions of l-tyrosine methyl ester compared to l-tyrosine and its ethyl and n-butyl esters

Tyrosine alkyl esters as prodrug: the structure and intermolecular interactions of l-tyrosine methyl ester compared to l-tyrosine and its ethyl and n-butyl esters

Strong anisotropic thermal expansion in borates

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

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