Laser-flash calorimetry IV. Heat capacity of gallium from 80 to 600 K in two solid phases and liquid phase

Takahashi, Yoshihiro; Kadokura, Hidekimi; Yokokawa, Harumi

doi:10.1016/0021-9614(83)90105-2

Cited by 23 publications

(5 citation statements)

References 34 publications

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“…Heat capacity data for undercooled liquids have been published for low-melting elements (Ga [10,11], In, Bi, Sn [12] and Se [13,14]) and several high-melting metals (Au, Cu, Ag [15]). Experimental determination of C P is usually performed by calorimetry [16].…”

Section: Liquids Above and Below T Mmentioning

confidence: 99%

“…The calculated heat capacity is shown in Fig. 8 compared to experimental data from Takahashi et al [11]. The heat capacity data were used to evaluate the description of the solid phase but only used as a comparison for the liquid and undercooled liquid.…”

Section: Two-state Modelmentioning

confidence: 99%

“…The entropy term G d m was fixed to the value of the entropy of melting as given by SGTE. The result is compared to experimental data [11]. and the result above the melting temperature was improved.…”

Section: Figurementioning

confidence: 99%

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Thermodynamic modelling of liquids: CALPHAD approaches and contributions from statistical physics

Becker

Ågren

Baricco

et al. 2013

Physica Status Solidi (b)

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We describe current approaches to thermodynamic modelling of liquids for the CALPHAD method, the use of available experimental methods and results in this type of modelling, and considerations in the use of atomic-scale simulation methods to inform a CALPHAD approach. We begin with an overview of the formalism currently used in CALPHAD to describe the temperature dependence of the liquid Gibbs free energy and outline opportunities for improvement by reviewing the current physical understanding of the liquid. Brief descriptions of experimental methods for extracting high-temperature data on liquids and the preparation of undercooled liquid samples are presented.Properties of a well-determined substance, B 2 O 3 , including the glass transition, are then discussed in detail to emphasize specific modelling requirements for the liquid. We then examine the two-state model proposed for CALPHAD in detail and compare results with experiment and theory, where available. We further examine the contributions of atomic-scale methods to the understanding of liquids and their potential for supplementing available data. We discuss molecular dynamics (MD) and Monte Carlo methods that employ atomic interactions from classical interatomic potentials, as well as contributions from ab initio MD. We conclude with a summary of our findings.1 Introduction Although few inorganic materials are used in their liquid state, liquids play an important role in the manufacture of many materials. This can be either because they are processed from the liquid or, for fulfilling performance criteria, the formation of the liquid phase must be avoided. Additionally, there are now a number of commercially available amorphous solids, both in the form of oxides and metallic glasses, and accurate descriptions of these sys-tems are necessary over a wide range of temperatures. How-ever, liquid phases of many inorganic substances are only sta-ble at high temperatures where the experimental determination of their properties is more challenging than at lower tem-peratures. Many amorphous phases are, at best, metastable and their properties can be difficult to measure. In addition, the data from glassy phases cannot be directly applied to modelling liquids because they have gone through the glass transition, with the attendant sharp drop in heat capacity. As a result, the experimental data for generating and evaluating models of liquids and glasses are fairly sparse. This has a significant impact on the development and refinement of models that strongly depend on the availability of thermodynamic data, such as those needed in CALPHAD modelling.CALPHAD is one of the major ways to model the thermodynamics of liquids. However, for many systems, especially the unaries (elements and sometimes compounds), the data necessary to develop, parameterize and validate models are limited. Theoretical approaches, e.g. first-principles or classical atomistic simulation, can help provide data

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Section: Liquids Above and Below T Mmentioning

confidence: 99%

Section: Two-state Modelmentioning

confidence: 99%

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Thermodynamic modelling of liquids: CALPHAD approaches and contributions from statistical physics

Becker

Ågren

Baricco

et al. 2013

Physica Status Solidi (b)

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“…The atomic structure shows a very slight sharpening [10] and on supercooling greatly the shoulder in the structure factor becomes a peak in its own right [11]. Several studies have looked for pre-melting phenomena in Ga. Measurements of Bragg peak height [12], lattice parameter [13] and heat capacity [14] found no anomalous changes. However, the density was found to decrease 0953-8984/98/153293+08$19.50 c 1998 IOP Publishing Ltd less rapidly in the last 2 • C before melting [15], corresponding, perhaps, to the formation of interstitial-or Frenkel-type defects.…”

Section: Introductionmentioning

confidence: 99%

Changes in the short-range order of gallium on melting and supercooling

Nield¹,

McGreevy²,

Tucker³

1998

J. Phys.: Condens. Matter

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Neutron diffraction has been used to study the diffuse scattering of gallium as it was heated from solid to liquid through the melting point, and then cooled from liquid to supercooled liquid. Little evidence was found of a pre-melting effect. A difference was observed in the rate of change of the diffuse scattering between the liquid and supercooled states from a slightly impure sample, but a high-purity sample showed little change in structure between +33 and . Reverse Monte Carlo analysis has been applied to the supercooled liquid, confirming that its structure is very like that of the -phase.

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“…The metal was supplied in plastic bottles, and it was melted in the bottles before filling the crucible. For the analysis, known values for the density and isobaric heat capacity of gallium were taken from the literature [9,[25][26][27][28][29]. Figure 5 shows a plot of the deviations between measured and simulated temperature rises for 614.3 K; this figure also demonstrates that the deviation is seldom larger than 0.1% given that the total temperature rise is about 5 K. Figure 6 serves as an example to demonstrate the sensitivity to the thermal conductivity of gallium for a measurement at 367.7 K where simulations were performed varying the thermal conductivity with values 1% greater and smaller than the optimal value.…”

Section: Galliummentioning

confidence: 99%

A Novel Instrument for the Measurement of the Thermal Conductivity of Molten Metals. Part II: Measurements

et al. 2006

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New measurements of the thermal conductivity of molten mercury, gallium, tin, and indium are reported up to 750 K. The measurements are performed in a novel transient hot-wire instrument described elsewhere. The present experimental technique overcomes problems of convection, and it is shown that it operates in an absolute way in accord with a theoretical model. The uncertainty of the thermal conductivity results is estimated to be ± 2%, which is superior to that achieved in most earlier work. The low uncertainty of the present experimental results has allowed us to test the only significant theory for the thermal conductivity of molten metals, which relates this property to the electrical conductivity. The pattern of results among the four metals indicates that further theoretical developments would be warranted.

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Laser-flash calorimetry IV. Heat capacity of gallium from 80 to 600 K in two solid phases and liquid phase

Cited by 23 publications

References 34 publications

Thermodynamic modelling of liquids: CALPHAD approaches and contributions from statistical physics

Thermodynamic modelling of liquids: CALPHAD approaches and contributions from statistical physics

Changes in the short-range order of gallium on melting and supercooling

A Novel Instrument for the Measurement of the Thermal Conductivity of Molten Metals. Part II: Measurements

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