Sign of the interaction parameter in disordered Fe-Al alloys

Dorfman, Simon; Fuks, David; Liubich, Vlad

doi:10.1002/(sici)1097-461x(1998)70:4/5<1067::aid-qua54>3.0.co;2-z

Cited by 4 publications

(1 citation statement)

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“…This may be recognized by comparing the data obtained in [50,51] for FeAl (B2) and Fe 3 Al (D0 3 ), NiAl (B2) and NiAl (L 12 ), and for different Al-Li phases. The same result follows from ab initio calculations for the Fourier transforms of mixing potentials [52,53]. Several additional comments should be made concerning the links of the formalism developed here with the phenomenological theory of solid solutions.…”

Section: Discussionsupporting

confidence: 63%

Simulations of decohesion and slip of the Σ₃⟨111⟩ grain boundary in tungsten with non-empirically derived interatomic potentials: the influence of boron interstitials

Dorfman

Liubich

Fuks

et al. 2001

J. Phys.: Condens. Matter

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Monte Carlo atomistic simulations of the properties of Σ3⟨111⟩ grain boundaries in W are carried out. We demonstrate the influence of boron additive on the resistance of the grain boundary with respect to different shifts. The interatomic potentials used in these simulations are obtained from ab initio total-energy calculations. These calculations are performed in the framework of density functional theory in the coherent potential approximation. A recursion procedure for extracting A-B-type interatomic potentials is suggested.

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Section: Discussionsupporting

confidence: 63%

Simulations of decohesion and slip of the Σ₃⟨111⟩ grain boundary in tungsten with non-empirically derived interatomic potentials: the influence of boron interstitials

Dorfman

Liubich

Fuks

et al. 2001

J. Phys.: Condens. Matter

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Atomistic Theory of the Growth Mode for a Thin Metallic Film on an Isulating Substrate

Kotomin

Zhukovskii

Dorfman

et al. 2002

Atomistic Aspects of Epitaxial Growth

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Atomistic Simulations of Properties and Phenomena at High Temperatures

Khanna

Sahajwalla

2014

Treatise on Process Metallurgy

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Sign of the interaction parameter in disordered Fe-Al alloys

Cited by 4 publications

References 30 publications

Simulations of decohesion and slip of the Σ₃⟨111⟩ grain boundary in tungsten with non-empirically derived interatomic potentials: the influence of boron interstitials

Simulations of decohesion and slip of the Σ₃⟨111⟩ grain boundary in tungsten with non-empirically derived interatomic potentials: the influence of boron interstitials

Atomistic Theory of the Growth Mode for a Thin Metallic Film on an Isulating Substrate

Atomistic Simulations of Properties and Phenomena at High Temperatures

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Sign of the interaction parameter in disordered Fe-Al alloys

Cited by 4 publications

References 30 publications

Simulations of decohesion and slip of the Σ3⟨111⟩ grain boundary in tungsten with non-empirically derived interatomic potentials: the influence of boron interstitials

Simulations of decohesion and slip of the Σ3⟨111⟩ grain boundary in tungsten with non-empirically derived interatomic potentials: the influence of boron interstitials

Atomistic Theory of the Growth Mode for a Thin Metallic Film on an Isulating Substrate

Atomistic Simulations of Properties and Phenomena at High Temperatures

Contact Info

Product

Resources

About

Simulations of decohesion and slip of the Σ₃⟨111⟩ grain boundary in tungsten with non-empirically derived interatomic potentials: the influence of boron interstitials

Simulations of decohesion and slip of the Σ₃⟨111⟩ grain boundary in tungsten with non-empirically derived interatomic potentials: the influence of boron interstitials