Heat capacity and microstructure of ordered and disordered Pd3V

M. E. Manley; B. Fultz; L. J. Nagel

doi:10.1080/13642810008208589

Heat capacity and microstructure of ordered and disordered Pd₃V

M. E. Manley, B. Fultz, L. J. Nagel

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14 Scopus citations

Abstract

Differences in the heat capacity and thermal expansion of cubic (fcc-disordered) and tetragonal (DO₂₂-ordered) Pd₃V were measured from 40 K to 315 K. Below 100 Kthe heat capacity difference was consistent withharmonie vibrations. At higher temperatures, however, the data show significant anharmonic effeets. Measurements of elastic constants. densitiesand thermal expansion showed that the anharmonicvolume expansion contribution (C_P - C_V) could account for only about one-third of this anharmonic heat capacity difference. The remainder may originate with elastic and plastic deformation of the polycrystalline microstructure. Strain energy from anisotropic thermalcontractions of grains in the tetragonal orderedphase contributes to the heat capacity, but someof this strain energy is eliminated by plastic deformation. The vibrational entropy difference of disordered and ordered Pd₃V was estimated to be S^dis - S^ord =(+0.035 ± 0.001)K_B/atom at 300 K. with 70% of this coming from anharmonic effeets.

Original language	English
Pages (from-to)	1167-1178
Number of pages	12
Journal	Philosophical Magazine B: Physics of Condensed Matter; Statistical Mechanics, Electronic, Optical and Magnetic Properties
Volume	80
Issue number	6
DOIs	https://doi.org/10.1080/13642810008208589
State	Published - Jun 2000
Externally published	Yes

Funding

We thank W. L. H u h for help with the metallography and D. Coker for help with the ultrasonic measurements. The ultrasonic facilities were provided by G. Ravichandran. This work was supported by the US Department of Energy under Contract No. DE-FG03-96ER45572.

Funders	Funder number
US Department of Energy

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10.1080/13642810008208589

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abstract = "Differences in the heat capacity and thermal expansion of cubic (fcc-disordered) and tetragonal (DO22-ordered) Pd3V were measured from 40 K to 315 K. Below 100 Kthe heat capacity difference was consistent withharmonie vibrations. At higher temperatures, however, the data show significant anharmonic effeets. Measurements of elastic constants. densitiesand thermal expansion showed that the anharmonicvolume expansion contribution (CP - CV) could account for only about one-third of this anharmonic heat capacity difference. The remainder may originate with elastic and plastic deformation of the polycrystalline microstructure. Strain energy from anisotropic thermalcontractions of grains in the tetragonal orderedphase contributes to the heat capacity, but someof this strain energy is eliminated by plastic deformation. The vibrational entropy difference of disordered and ordered Pd3V was estimated to be Sdis - Sord =(+0.035 ± 0.001)KB/atom at 300 K. with 70% of this coming from anharmonic effeets.",

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AU - Fultz, B.

AU - Nagel, L. J.

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N2 - Differences in the heat capacity and thermal expansion of cubic (fcc-disordered) and tetragonal (DO22-ordered) Pd3V were measured from 40 K to 315 K. Below 100 Kthe heat capacity difference was consistent withharmonie vibrations. At higher temperatures, however, the data show significant anharmonic effeets. Measurements of elastic constants. densitiesand thermal expansion showed that the anharmonicvolume expansion contribution (CP - CV) could account for only about one-third of this anharmonic heat capacity difference. The remainder may originate with elastic and plastic deformation of the polycrystalline microstructure. Strain energy from anisotropic thermalcontractions of grains in the tetragonal orderedphase contributes to the heat capacity, but someof this strain energy is eliminated by plastic deformation. The vibrational entropy difference of disordered and ordered Pd3V was estimated to be Sdis - Sord =(+0.035 ± 0.001)KB/atom at 300 K. with 70% of this coming from anharmonic effeets.

AB - Differences in the heat capacity and thermal expansion of cubic (fcc-disordered) and tetragonal (DO22-ordered) Pd3V were measured from 40 K to 315 K. Below 100 Kthe heat capacity difference was consistent withharmonie vibrations. At higher temperatures, however, the data show significant anharmonic effeets. Measurements of elastic constants. densitiesand thermal expansion showed that the anharmonicvolume expansion contribution (CP - CV) could account for only about one-third of this anharmonic heat capacity difference. The remainder may originate with elastic and plastic deformation of the polycrystalline microstructure. Strain energy from anisotropic thermalcontractions of grains in the tetragonal orderedphase contributes to the heat capacity, but someof this strain energy is eliminated by plastic deformation. The vibrational entropy difference of disordered and ordered Pd3V was estimated to be Sdis - Sord =(+0.035 ± 0.001)KB/atom at 300 K. with 70% of this coming from anharmonic effeets.

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Heat capacity and microstructure of ordered and disordered Pd₃V

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