Thermodynamic properties of silicides V. Fluorine-combustion calorimetric determination of the standard molar enthalpy of formation at the temperature 298.15 K of trimolybdenum monosilicide Mo3Si, and a critical assessment of its thermodynamic properties

Tomaszkiewicz, Iwona; Hope, Gregory Alan; Beck, Charles M.; O’Hare, P.A.G.

doi:10.1006/jcht.1996.0005

Cited by 15 publications

(12 citation statements)

References 20 publications

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“…Searcy and Tharp (27) used Knudsen effusion to deduce the partial pressures p(Si, T ) for the decomposition reactions at T 1 2100 K: 3) and Mo 3 Si, (7) equations (8) and (9) Chart (28) used mass loss, Knudsen effusion to study the more facile reaction:…”

Section: Discussionmentioning

confidence: 99%

“…Previous experience with fluorine bomb calorimetric studies of molybdenum silicides (3,7) and tungsten silicides (8,9) strongly suggested that Mo 5 Si 3 could be made to react with F 2 (g):…”

Section: Methodsmentioning

confidence: 99%

“…In an earlier paper, (7) we described the synthesis of Mo 3 Si from the elements by arc melting. The preparation of Mo 5 Si 3 followed a similar path; this part of the investigation took place at Griffith University.…”

Section: Methodsmentioning

confidence: 99%

“…Our strategy for the determination of Si in a molybdenum silicide (7) had as its basis the high-temperature oxidation in air of the powdered material, contained in a crucible, to a mixture of SiO 2 and molybdenum oxides (most likely MoO 3 ), accompanied by the sublimation of the latter as it formed, and the resultant isolation of SiO 2 as a pure phase. A minor complication arose because traces of a molybdenum-containing residue (approximate mass 0.24 mg out of a total mass of 15 mg) did not sublime, but remained mixed with the SiO 2 .…”

Section: Methodsmentioning

confidence: 99%

“…Such evaluations incorporated estimated auxiliary thermodynamic functions. In a concerted effort to improve that unsatisfactory situation, we, within the past few years, have determined D f H°ms of MoSi 2 , (3) Mo 3 Si, (7) WSi 2 , (8) and W 5 Si 3 (9) at the temperature 298.15 K, and Callanan et al (4,5) measured the molar heat capacities C°p ,m at subambient temperatures of some of the same samples, and derived the corresponding thermodynamic functions.…”

mentioning

confidence: 99%

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Thermodynamic properties of silicides. VI. Pentamolybdenum trisilicide (Mo5Si3). Fluorine combustion calorimetric determination of the standard molar enthalpy of formation at the temperature 298.15 K

Tomaszkiewicz

Hope

Beck

et al. 1997

The Journal of Chemical Thermodynamics

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Section: Discussionmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

mentioning

confidence: 99%

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Thermodynamic properties of silicides. VI. Pentamolybdenum trisilicide (Mo5Si3). Fluorine combustion calorimetric determination of the standard molar enthalpy of formation at the temperature 298.15 K

Tomaszkiewicz

Hope

Beck

et al. 1997

The Journal of Chemical Thermodynamics

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Mo–Si Alloys Studied by Atomistic Computer Simulations Using a Novel Machine‐Learning Interatomic Potential: Thermodynamics and Interface Phenomena

Lenchuk,

Rohrer,

Albe

2024

Adv Eng Mater

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We present a machine‐learning interatomic potential for Mo‐Si alloys based on the Atomic Cluster Expansion (ACE) formalism, validate its performance and apply it for studying interface phenomena. Structural parameters, elastic constants and melting temperatures of the crystalline bcc Mo, diamond Si and stable Mo‐Si alloys (Mo3Si, Mo5Si3 and MoSi2) are calculated and compared to experimental values. Using the trained potential defect formation energies are calculated and the thermodynamic stability of various MoxSiy alloys is discussed with focus on Mo3Si. Finally, the intermixing between Mo and Si phases is studied by performing interface simulations of Mo|Si. The crystallization behavior of the Mo3Si phase provides additional evidence for the off‐stoichiometric composition of this intermetallic phase.This article is protected by copyright. All rights reserved.

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Thermodynamic Assessment of the Mo–Si System

Czerny,

Ma,

Hausner

et al. 2024

Adv Eng Mater

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The binary system Mo‐Si is reassessed based on previously reported findings that the phase shows a deficiency in Si, and to take into account experimental data on the heat capacities of the Mo silicides. The last aspect in particular has been neglected in previous assessments of the system. Experimental studies are carried out which confirm that the phase is deficient in Si in every alloy analysed, with an average Si content of 23 at.%. The thermodynamic description of this phase is adjusted accordingly and the parameters of the system are optimized. Two alternative possible descriptions are presented for the phase . It is shown that the calculated binary phase diagram agrees well with experimental data, like liquidus and solidus temperatures as well as homogeneity ranges of the phases, where applicable, for both datasets. Likewise, thermophysical data like enthalpies of formation of the silicides are adequately described.This article is protected by copyright. All rights reserved.

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Thermodynamic properties of silicides V. Fluorine-combustion calorimetric determination of the standard molar enthalpy of formation at the temperature 298.15 K of trimolybdenum monosilicide Mo3Si, and a critical assessment of its thermodynamic properties

Cited by 15 publications

References 20 publications

Thermodynamic properties of silicides. VI. Pentamolybdenum trisilicide (Mo5Si3). Fluorine combustion calorimetric determination of the standard molar enthalpy of formation at the temperature 298.15 K

Thermodynamic properties of silicides. VI. Pentamolybdenum trisilicide (Mo5Si3). Fluorine combustion calorimetric determination of the standard molar enthalpy of formation at the temperature 298.15 K

Mo–Si Alloys Studied by Atomistic Computer Simulations Using a Novel Machine‐Learning Interatomic Potential: Thermodynamics and Interface Phenomena

Thermodynamic Assessment of the Mo–Si System

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