Determination of absolute solid-liquid interfacial free energies in metals

Glicksman, M.E.; Vold, C.L.

doi:10.1016/0001-6160(69)90157-6

Cited by 125 publications

(40 citation statements)

References 15 publications

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“…[19]. Slightly higher estimates are derived from data based on measurements other than nucleation: a = 0.6 was quoted [20] for face-centered cubic (fcc) metals based on data [21] from the dihedral-angle technique [22,23], and a = 0.55 (8) is obtained from analysis considering a combination of measurements in Ref. [24].…”

Section: Magnitudes Of Crystal-melt Interfacial Free Energiesmentioning

confidence: 99%

Solidification microstructures and solid-state parallels: Recent developments, future directions

et al. 2009

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Rapid advances in atomistic and phase-field modeling techniques as well as new experiments have led to major progress in solidification science during the first years of this century. Here we review the most important findings in this technologically important area that impact our quantitative understanding of: (i) key anisotropic properties of the solid-liquid interface that govern solidification pattern evolution, including the solid-liquid interface free energy and the kinetic coefficient; (ii) dendritic solidification at small and large growth rates, with particular emphasis on orientation selection; (iii) regular and irregular eutectic and peritectic microstructures; (iv) effects of convection on microstructure formation; (v) solidification at a high volume fraction of solid and the related formation of pores and hot cracks; and (vi) solid-state transformations as far as they relate to solidification models and techniques. In light of this progress, critical issues that point to directions for future research in both solidification and solid-state transformations are identified.

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Section: Magnitudes Of Crystal-melt Interfacial Free Energiesmentioning

confidence: 99%

Solidification microstructures and solid-state parallels: Recent developments, future directions

et al. 2009

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“…A recent review of these methods, pioneered by Turnbull [66][67][68][69][70][71][72] in his nucleation studies of the 1950s, is given by Kelton [73] from which the numbers listed under the MU column in Table 2 have been taken. Column 4 of Table 2 lists values of g derived from measurements of dihedral angles (DA), an approach introduced by Glicksman and Vold [74,75]. Columns 5 and 6 list solid-liquid interfacial free energies derived from measurements of contact Table 1 Melting temperatures (T M ), latent heat (DH fus ), orientation-averaged solid-liquid interfacial free energy (g 0 ), and Turnbull's scaled interfacial free energy (ĝ ¼ g 0 r À2=3 ), for a variety of EAM systems.…”

Section: Comparisons With Experiments and The Turnbull Coefficientmentioning

confidence: 99%

Atomistic and continuum modeling of dendritic solidification

Hoyt

2003

Materials Science and Engineering: R: Reports

398

220

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“…One notable example is a series of grain boundary contact angle experiments on bismuth [10] that determined g to be relatively independent of crystal orientation at 61. 3 3 10 23 J͞m 2 , which is about 10% higher than Turnbull's estimate from nucleation rates of 54.…”

Section: (Received 5 July 2000)mentioning

confidence: 99%

Direct Calculation of the Hard-Sphere Crystal/Melt Interfacial Free Energy

2000

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We present a direct calculation by molecular-dynamics computer simulation of the crystal͞melt interfacial free energy g for a system of hard spheres of diameter s. The calculation is performed by thermodynamic integration along a reversible path defined by cleaving, using specially constructed movable hard-sphere walls, separate bulk crystal, and fluid systems, which are then merged to form an interface. We find the interfacial free energy to be slightly anisotropic with g 0.62 6 0.01, 0.64 6 0.01, and 0.58 6 0.01k B T ͞s 2 for the (100), (110), and (111) fcc crystal͞fluid interfaces, respectively. These values are consistent with earlier density functional calculations and recent experiments. 05.70.Np, 68.35.Md A detailed microscopic description of the interface between a crystal and its melt is necessary for a full understanding of such important phenomena as homogeneous nucleation and crystal growth [1][2][3]. Computer simulation studies of model materials have had some success in elucidating the phenomenology of such systems [4], the importance of such work being enhanced by the near absence of reliable experimental studies. These efforts, however, have been primarily focused on structural and dynamical properties, since the central thermodynamic property, the crystal͞melt interfacial free energy, is difficult to measure by simulation or experiment. In this Letter we report the results of a direct calculation via moleculardynamics (MD) simulation of the crystal͞melt surface free energy of the hard-sphere system, one of the most important reference models for simple materials.The crystal͞melt surface free energy g is defined as the (reversible) work required to form a unit area of interface between a crystal and its coexisting melt. Experimentally, g can be measured either indirectly from measurements of crystal nucleation rates interpreted through classical nucleation theory or directly by contact angle measurements [1]. Using the former method, Turnbull [5] estimated g for a number of materials and found a strong empirical correlation between the values obtained and the latent heat of fusion for each material given by the relation g ഠ C T D f Hr 2͞3 , where r is the number density of the crystal and with C T (the Turnbull coefficient) taking on the value 0.45 for most metals and 0.32 for other mostly nonmetallic materials. For the hard-sphere system considered in this Letter, recent experiments [6] of the crystallization kinetics of a colloidal suspension of coated silica spheres, which closely mimic hard spheres, have been interpreted within a classical nucleation model to yield an estimate for g of the hard-sphere system of ͑0.55 6 0.02͒k B T ͞s 2 [7]. This value is in agreement [8] with that predicted using the empirical relationship above assuming a C T of 0.45 and values of D f H and coexistence densities for hard spheres as determined by MD simulation [9]. Unfortunately, the accuracy of the values of g obtained from nucleation rates is severely limited by the approximations inherent in classical n...

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Determination of absolute solid-liquid interfacial free energies in metals

Cited by 125 publications

References 15 publications

Solidification microstructures and solid-state parallels: Recent developments, future directions

Solidification microstructures and solid-state parallels: Recent developments, future directions

Atomistic and continuum modeling of dendritic solidification

Direct Calculation of the Hard-Sphere Crystal/Melt Interfacial Free Energy

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