Thermodynamic properties and nonstoichiometry of thorium monocarbide

Satow, T.

doi:10.1016/0022-3115(67)90176-6

Cited by 25 publications

(11 citation statements)

References 12 publications

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“…This temperature-independent paramagnetism and the known temperature dependence of its electrical resistivity(2) confirms the metallic character of ThC. The interatomic distances of the nearest Th-Th and Th-C are 3.78 and 2.67Â, respectively (6). The existcnce of C atoms surrounding a Th atom makes it hard to form a bonding between s-like wave functions.…”

Section: N Experimental Procedures and Resultsmentioning

confidence: 52%

“…where n is the number of electrons contributing to the bonding (n=v/N, v being the number of valence electrons, Nthe coordination number), while D(l) and D(η) are the interatomic distances when n equals 1 and n, respectively. The interatomic distances D(n) are derived from the variation in lattice parameter of ThC (6). The bond numbers between Th and Th(n Th-Th) and between Th and C(nTh-C) for each composition are calculated by Eq.…”

Section: Interaction Energies Between Neighboring åTomsmentioning

confidence: 99%

“…The present paper discuss the bonding of Th-Th, Th-C and C-C based on the con∞pt of a tight binding bond of ds orbitals and an sp 3 d 2 hybridized bonding, utilizing thermodynamical data previously reported by the author (6) . This binding model is similar to those U않d by Pau 미 11 퍼 ling(7) η 끼 1 시， Rund 이 le(B 쁘 Bl 씬)시， Hume-Ro 야 thery(' 에 9 잉 ) and BilzO!l.…”

Section: Introductionmentioning

confidence: 97%

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Chemical Bonding of Thorium Monocarbide

Satow

Tamaki

1969

Journal of Nuclear Science and Technology

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The magnetic susceptibility of non.stoichiometric thorium monocarbide having compositions between ThC o. 72 and ThC o. 96 was measured at various temperatures. The susceptibility showed weak paramagnetism independent of temperature, which increased with decreasing carbon content (X mo l e =6.0x lO-5 emu for ThC o. 72 , 4.1X10• emu for ThC o. 96). The bonding of Th.Th, Th.C and C.C is discussed with the aid of a metallic bonding model applied to the compound. The bond energies of Th-Th and Th-C have been analyzed on the basis of Pauling's scheme, and evaluated to be-51 kcalfmole and-271 kcalfmole respectively, at a composition of ThC o .95. The narrow band of ThC is examined from measured results of magnetic susceptibility_

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Section: N Experimental Procedures and Resultsmentioning

confidence: 52%

Section: Interaction Energies Between Neighboring åTomsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 97%

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Chemical Bonding of Thorium Monocarbide

Satow

Tamaki

1969

Journal of Nuclear Science and Technology

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“…[16] There are several relevant experimental works on thorium carbide which were mainly reported in the 1960s and 1980s. [17][18][19][20][21] Through the investigation of the non-stoichiometry of ThC by Satow, [18] it can be deduced that the lattice defects of this compound are carbon vacancies. Gerward et al did not observe structural phase transformation of ThC over the whole pressure range through the high-pressure…”

Section: Introductionmentioning

confidence: 99%

Defect stability in thorium monocarbide: An ab initio study

et al. 2015

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The elastic properties and point defects of thorium monocarbide (ThC) have been studied by means of density functional theory based on the projector-augmented-wave method. The calculated electronic and elastic properties of ThC are in good agreement with experimental data and previous theoretical results. Five types of point defects have been considered in our study, including the vacancy defect, interstitial defect, antisite defect, schottky defect, and composition-conserving defect. Among these defects, the carbon vacancy defect has the lowest formation energy of 0.29 eV. The second most stable defect (0.49 eV) is one of composition-conserving defects in which one carbon is removed to another carbon site forming a C2 dimer. In addition, we also discuss several kinds of carbon interstitial defects, and predict that the carbon trimer configuration may be a transition state for a carbon dimer diffusion in ThC.

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“…In the temperature range 1770-2470K one of the authors [4] has measured the carbon activity in boron carbides using Knudsen effusion cells and a mass spectrometer. Potentiometric cells using CaF 2 as a solid electrolyte have been used for thermodynamic investigations of thorium, uranium, manganese and chromium carbides [5][6][7]. The direct measurement of carbon activity in Fe-C altoys has been carried out in the 873-1073 K range using a FeC, CaC2/CaF2/CaC2, C cell.…”

Section: Introductionmentioning

confidence: 99%

Carbon activity measurement using a solid state potentiometric cell: Application to boron carbides

Froment¹,

Fouletier

Fouletier³

1991

J Appl Electrochem

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The interface between fl-alumina and carbonaceous materials has been studied from both thermodynamic and electrochemical viewpoints. Based on the results, a solid electrolyte potentiometric cell has been devised and the conditions enabling carbon activity to be measured have been determined. In spite of the chemical inertness of the materials involved, the measurements must be performed at low temperature (T < 720 K). Carbon activity measurements in the boron-carbon system are presented.

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Thermodynamic properties and nonstoichiometry of thorium monocarbide

Cited by 25 publications

References 12 publications

Chemical Bonding of Thorium Monocarbide

Chemical Bonding of Thorium Monocarbide

Defect stability in thorium monocarbide: An ab initio study

Carbon activity measurement using a solid state potentiometric cell: Application to boron carbides

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