Communication: Resolving the vibrational and configurational contributions to thermal expansion in isobaric glass-forming systems

Potužák, Marcel; Mauro, John C.; Kiczenski, T. J.; Ellison, Adam J.; Allan, Douglas C.

doi:10.1063/1.3481441

Cited by 46 publications

(29 citation statements)

References 41 publications

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“…"Fragile" liquids have dramatic viscosity changes at the glass transition, and they are thus expected to have large configurational heat capacities, as a consequence of their configurational entropy changing rapidly with temperature [42]. The glassy state contains primarily vibrational degrees of freedom, whereas the liquid state contains both vibrational and configurational degrees of freedom [45]. Therefore, C pl − C pg is approximately equal to the configurational heat capacity.…”

Section: Thermodynamic Vs Kinetic Fragilitiesmentioning

confidence: 98%

Composition–structure–property relationships in boroaluminosilicate glasses

Zheng¹,

Potužák²,

Mauro³

et al. 2012

Journal of Non-Crystalline Solids

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107

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Section: Thermodynamic Vs Kinetic Fragilitiesmentioning

confidence: 98%

Composition–structure–property relationships in boroaluminosilicate glasses

Zheng¹,

Potužák²,

Mauro³

et al. 2012

Journal of Non-Crystalline Solids

Self Cite

107

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“…Additional research is also required to address the detailed origins of thermal properties such as heat capacity (Yue, 2008) and thermal expansion coefficient (Potuzak et al, 2010). Thermal conductivity (Yu and Freeman, 1987) and acoustic properties (Rufflé et al, 2006) of glass represent largely unexplored territories, both ripe for new research efforts.…”

Section: Glass Physicsmentioning

confidence: 99%

Grand Challenges in Glass Science

Mauro

2014

Front. Mater.

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“…29,36 The key result is that the isothermal-isobaric partition function can be written in an analogous form to Eq. (3) i.e.,…”

Section: Inherent Structures and Density-of-states Analysismentioning

confidence: 99%

An enthalpy landscape view of homogeneous melting in crystals

Nieves

Sinno

2011

The Journal of Chemical Physics

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A detailed analysis of homogeneous melting in crystalline materials modeled by empirical interatomic potentials is presented using the theory of inherent structures.We show that the homogeneous melting of a perfect, infinite crystalline material can be inferred directly from the growth exponent of the inherent structure density-of-states distribution expressed as a function of formation enthalpy. Interestingly, this growth is already established by the presence of very few homogeneously nucleated point defects in the form of Frenkel pairs. This finding supports the notion that homogeneous melting is appropriately defined in terms of a one-phase theory and does not require detailed consideration of the liquid phase. We then apply this framework to the study of applied hydrostatic compression on homogeneous melting and show that the inherent structure analysis used here is able to capture the correct pressure-dependence for two crystalline materials, namely silicon and aluminum. The coupling between the melting temperature and applied pressure arises through the distribution of formation volumes for the various inherent structures. A detailed analysis of homogeneous melting in crystalline materials modeled by empirical interatomic potentials is presented using the theory of inherent structures. We show that the homogeneous melting of a perfect, infinite crystalline material can be inferred directly from the growth exponent of the inherent structure density-of-states distribution expressed as a function of formation enthalpy. Interestingly, this growth is already established by the presence of very few homogeneously nucleated point defects in the form of Frenkel pairs. This finding supports the notion that homogeneous melting is appropriately defined in terms of a one-phase theory and does not require detailed consideration of the liquid phase. We then apply this framework to the study of applied hydrostatic compression on homogeneous melting and show that the inherent structure analysis used here is able to capture the correct pressure-dependence for two crystalline materials, namely silicon and aluminum. The coupling between the melting temperature and applied pressure arises through the distribution of formation volumes for the various inherent structures.

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Communication: Resolving the vibrational and configurational contributions to thermal expansion in isobaric glass-forming systems

Cited by 46 publications

References 41 publications

Composition–structure–property relationships in boroaluminosilicate glasses

Composition–structure–property relationships in boroaluminosilicate glasses

Grand Challenges in Glass Science

An enthalpy landscape view of homogeneous melting in crystals

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