High-confidence measurement of solid/liquid surface energy in a pure material

Schaefer, Robert; Glicksman, M.E.; Ayers, J. D.

doi:10.1080/14786437508221616

Cited by 178 publications

(66 citation statements)

References 23 publications

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“…The magnitude of ␥ is found to be about 20% lower than the experimental value obtained by Schaefer et al, 29 but within the error bars of the more recent experimental result of Maraşli et al 30 The interfacial free energy is found to be very nearly isotropic, in agreement with experiment. 9,10 In addition, the Turnbull coefficient for succinonitrile from our simulation ͑0.35± 0.02͒ is in agreement with the experiments within the error bars.…”

Section: Discussionsupporting

confidence: 73%

“…39 Using these values, C T for SCN is found to be 0.33± 0.03 from the results of Maraşli et al 30 and 0.38± 0.02 from the results of Schaefer et al 29 The six-site model for succinonitrile gives 1.0108± 0.0008 g cm −3 for the equilibrium crystal density and a latent heat of 3.11± 0.19 kJ mol −1 , which results in a C T of 0.35± 0.02. So the value of the Turnbull coefficient from the simulation is in agreement ͑within the error bars͒ with both experimental measurements, as well as being close to Turnbull's predictions for semimetals and water ͑0.32͒.…”

mentioning

confidence: 87%

“…We have chosen SCN as a test candidate because experimental values for both the magnitude and the anisotropy of the interfacial free energy exist for comparison. 9,10 The first measurement of SCN crystal-melt interfacial free energy by Schaefer et al, 29 29 obtaining a value of 8.02ϫ 10 −3 J m −2 . In the experiments, the orientation dependence of ␥ for a crystal with cubic symmetry is often represented to low order by the expansion,…”

Section: Introductionmentioning

confidence: 99%

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Calculation of the crystal-melt interfacial free energy of succinonitrile from molecular simulation

Feng

Laird

2006

The Journal of Chemical Physics

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The crystal-metal interfacial free energy for a six-site model of succinonitrile ͓N w C-͑CH 2 ͒ 2 -C w N͔ has been calculated using molecular-dynamics simulation from the power spectrum of capillary fluctuations in interface position. The orientationally averaged magnitude of the interfacial free energy is determined to be ͑7.0± 0.4͒ ϫ 10 −3 J m −2 . This value is in agreement ͑within the error bars͒ with the experimental value ͓͑7.9± 0.8͒ ϫ 10 −3 J m −2 ͔ of Maraşli et al. ͓J. Cryst. Growth 247, 613 ͑2003͔͒, but is about 20% lower than the earlier experimental value ͓͑8.9± 0.5͒ ϫ 10 −3 J m −2 ͔ obtained by Schaefer et al. ͓Philos. Mag. 32, 725 ͑1975͔͒. In agreement with the experiment, the calculated anisotropy of the interfacial free energy of this body-centered-cubic material is small. In addition, the Turnbull coefficient from our simulation is also in agreement with the experiment. This work demonstrates that the capillary fluctuation method of Hoyt et al. ͓Phys. Rev. Lett. 86, 5530 ͑2001͔͒ can be successfully applied to determine the crystal-melt interfacial free energy of molecular materials.

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Section: Discussionsupporting

confidence: 73%

mentioning

confidence: 87%

Section: Introductionmentioning

confidence: 99%

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Calculation of the crystal-melt interfacial free energy of succinonitrile from molecular simulation

Feng

Laird

2006

The Journal of Chemical Physics

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“…For example, when the gravitationally induced pressure gradient in a fluid is balanced by the pressure jump across a curved interface, the interfacial energy of a two-phase fluid interface can be measured by the well-known capillary rise or sessile drop technique. In solid-liquid systems, when the curvature dependence of the interfacial temperature is balanced against an applied temperature gradient, the profile of a grain boundary groove can yield an accurate measurement of the solid-liquid interfacial energy [43]. One factor leading to the success of both of these techniques is that these two-phase systems are at equilibrium.…”

Section: Discussionmentioning

confidence: 99%

The equilibrium shape of a misfitting precipitate

Thompson¹,

Su²,

Voorhees³

1994

Acta Metallurgica et Materialia

256

111

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Abstract-We examine the equilibrium morphologies of precipitates with either a tetragonal or purely dilatational misfit in an elastically anisotropic medium with cubic symmetry under conditions of plane strain. We find that particles with a dilatational misfit are nearly spherical at " "Les, take on four-fold symmetric shapes at intermediate sizes and then undergo a supercritical s-breaking bifurcation to two-fold symmetric shapes aligned along the elastically soft directions of the crystal. A tetragonal misfit breaks this four-fold to two-fold supercritical bifurcation when the direction of the tetragonality is coincident with one of the elastically soft directions of the crystal. Such a tetragonal misfit can lead to two-fold equilibrium particle shapes which are local energy minima, or metastable, and in some cases have large negative interfacial curvatures. When the tetragonality is not in an elastically soft direction, the supercritical bifurcation is not broken and the particles can take on unusual diamond-like or S-shaped morphologies.

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“…is the Gibbs-Thomson coefficient, T m the melting temperature of the pure system, and L v the latent heat per unit volume), which is also the length over which the GB groove extends along the direction x [37]. We measured directly h GB ≈ 3µm (within ±1µm) for G = 54Kcm −1 , thus a o ≈ 2.5 × 10 −8 Km, which gives γ ≈ 3mN m −1 (L v ≈ 44Jcm −3 ).…”

Section: Nonfaceted and Faceted Gb Grooves At Rest (V = 0)mentioning

confidence: 99%

Surface effects in nucleation and growth of smectic-Bcrystals in thin samples

Börzsönyi

Akamatsu²

2002

Phys. Rev. E

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We present an experimental study of the surface effects (interactions with the container walls) during the nucleation and growth of smectic B crystals from the nematic in free growth and directional solidification of a mesogenic molecule (C4H9 − (C6H10)2CN) called CCH4 in thin (of thickness in the 10 µm range) samples. We follow the dynamics of the system in real time with a polarizing microscope. The inner surfaces of the glass-plate samples are coated with polymeric films, either rubbed polyimid (PI) films or monooriented poly(tetrafluoroethylene) (PTFE) films deposited by friction at high temperature. The orientation of the nematic and the smectic B is planar. In PI-coated samples, the orientation effect of SmB crystals is mediated by the nematic, whereas, in PTFE-coated samples, it results from a homoepitaxy phenomenon occurring for two degenerate orientations. A recrystallization phenomenon partly destroys the initial distribution of crystal orientations. In directional solidification of polycrystals in PTFE-coated samples, a particular dynamics of faceted grain boundary grooves is at the origin of a dynamical mechanism of grain selection. Surface effects also are responsible for the nucleation of misoriented terraces on facets and the generation of lattice defects in the solid.

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High-confidence measurement of solid/liquid surface energy in a pure material

Cited by 178 publications

References 23 publications

Calculation of the crystal-melt interfacial free energy of succinonitrile from molecular simulation

Calculation of the crystal-melt interfacial free energy of succinonitrile from molecular simulation

The equilibrium shape of a misfitting precipitate

Surface effects in nucleation and growth of smectic-Bcrystals in thin samples

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