Single-Crystal Elastic Moduli and the hcp → bcc Transformation in Ti, Zr, and Hf

Fisher, E.S.; Renken, C.J.

doi:10.1103/physrev.135.a482

Cited by 773 publications

(236 citation statements)

References 31 publications

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“…The grain boundary mobility at 800°C was extracted from recrystallization experiments and found to be 1.9 × 10 −13 m 4 /Js [11]. The shear modulus was taken to be 25 GPa at 800°C as approximated using the Voigt-Reuss-Hill model [13] from elastic constant measurements of single crystal titanium [14]. The Burgers vector was set to 0.295 nm for an a dislocation [15].…”

Section: Simulation Parametersmentioning

confidence: 99%

Simulating recrystallization in titanium using the phase field method

Gentry

Thornton

2015

IOP Conf. Ser.: Mater. Sci. Eng.

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Abstract. Integrated computational materials engineering (ICME) links physics-based models to predict performance of materials based on their processing history. The recrystallization phase field model is developed and parameterized for commercially pure titanium. Stored energy and nucleation of dislocation-free grains are added into a phase field grain-growth model. A two-dimensional simulation of recrystallization in titanium at 800°C was performed; the recrystallized volume fraction was measured from the simulated microstructures. Fitting the recrystallized volume fraction to the Avrami equation gives the time exponent n as 1.8 and the annealing time to reach 50% recrystallization (t0.5) as 71 s. As expected, the microstructure evolves faster when driven by stored energy than when driven by grain boundary energy. IntroductionIntegrated computational materials engineering (ICME) is crucial in advancing material design and optimization. Linking models together will enable simulated parametric studies across length scales, incorporating microstructure into larger-scale component analysis. For example, simulations of static recrystallization are needed for the processing history of metals to be used in microstructural mechanical behavior simulations. As such, successful ICME requires accurate physics-based simulations that predict realistic microstructures.When metals undergo plastic deformation, a network of dislocations is formed within the microstructure. Increasing the applied stress provides an additional driving force for dislocation motion and creates more dislocations. The increased dislocation density results in a stored energy (f stored ) within the microstructure, which is approximated as [1]

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Section: Simulation Parametersmentioning

confidence: 99%

Simulating recrystallization in titanium using the phase field method

Gentry

Thornton

2015

IOP Conf. Ser.: Mater. Sci. Eng.

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“…Le titane présente une anisotrope plus marquée que le zirconium à 20 • C (tableau 1). Néanmoins l'anisotropie élastique de ce dernier semble augmenter avec la température [16]. Enfin, les propriétés d'élasticité sont notablement affectées par la présence d'oxygène comme le démontre les résultats obtenus sur le titane-polycristallin en terme de module d'Young [18]: E(GPa) = 127, 9 + 13, 5 × C 0 o C 0 représente la concentration en oxygène (at%).…”

Section: Introductionunclassified

Influence de l'hydrogène sur les mécanismes de déformation et d'endommagement des alliages de titane et de zirconium

Feaugas

Conforto

2009

PlastOx 2007 - Mécanismes Et Mécanique Des Interactions Plasticité - Environnement

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Résumé. L'hydrogène, élément rarement dissociable des alliages de titane et de zirconium, confèrent à ceux-ci des propriétés physico-chimiques particulières dont les conséquences sur les processus de déformation et d'endommagement sont incontestables. A travers cet écrit nous faisons une synthèse des résultats acquis dans ce domaine en nous attachant à préciser les relations connues entre les différents états microstructuraux des alliages et les propriétés mécaniques. Le point le plus marquant, dans ce contexte, est le rôle du couple oxygène-hydrogène sur les mécanismes de déformation et d'endommagement.

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“…7 Zirconium, as is the case of other metals and alloys, is close packed at low temperatures, but undergoes a structural phase transition of the Martensitic type to a bcc structure at higher temperatures. [8][9][10] Some features of this phase transformation in Zr were previously studied by using the secondmoment approximation TB model. 11,12 Here, we shall not focus on the structural phase transition itself but rather concentrate our interest on the elastic properties of the hightemperature bcc phase, which is accepted to be mainly stabilized by entropy effects.…”

Section: Introductionmentioning

confidence: 99%

Development of a tight-binding potential for bcc Zr: Application to the study of vibrational properties

Porta

Castán

2001

Phys. Rev. B

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We present a tight-binding potential based on the moment expansion of the density of states, which includes up to the fifth moment. The potential is fitted to bcc and hcp Zr and it is applied to the computation of vibrational properties of bcc Zr. In particular, we compute the isothermal elastic constants in the temperature range 1200 KϽTϽ2000 K by means of standard Monte Carlo simulation techniques. The agreement with experimental results is satisfactory, especially in the case of the stability of the lattice with respect to the shear associated with CЈ. However, the temperature decrease of the Cauchy pressure is not reproduced. The Tϭ0 K phonon frequencies of bcc Zr are also computed. The potential predicts several instabilities of the bcc structure, and a crossing of the longitudinal and transverse modes in the ͑001͒ direction. This is in agreement with recent ab initio calculations in Sc, Ti, Hf, and La.

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Single-Crystal Elastic Moduli and the hcp → bcc Transformation in Ti, Zr, and Hf

Cited by 773 publications

References 31 publications

Simulating recrystallization in titanium using the phase field method

Simulating recrystallization in titanium using the phase field method

Influence de l'hydrogène sur les mécanismes de déformation et d'endommagement des alliages de titane et de zirconium

Development of a tight-binding potential for bcc Zr: Application to the study of vibrational properties

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