skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Ginzburg-Landau-Type Multiphase Field Model for Competing fcc and bcc Nucleation

Journal Article · · Physical Review Letters
 [1]; ORCiD logo [2];  [3]
  1. Research Institute for Solid State Physics and Optics, Hungary
  2. ORNL
  3. Research Institute for Solid State Physics and Optics, Hungary and Brunel University, UK

We address crystal nucleation and fcc-bcc phase selection in alloys using a multiphase field model that relies on Ginzburg-Landau free energies of the liquid-fcc, liquid-bcc, and fcc-bcc subsystems, and determine the properties of the nuclei as a function of composition, temperature, and structure. With a realistic choice for the free energy of the fcc-bcc interface, the model predicts well the fcc-bcc phase-selection boundary in the Fe-Ni system.

Research Organization:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Organization:
USDOE
DOE Contract Number:
AC05-00OR22725
OSTI ID:
1008839
Journal Information:
Physical Review Letters, Vol. 106, Issue 4; ISSN 0031-9007
Country of Publication:
United States
Language:
English

References (25)

Controlling Polymorphism during the Crystallization of an Atomic Fluid journal June 2007
The crystal/liquid interface: structure and properties from computer simulation journal December 1992
Modeling Elasticity in Crystal Growth journal June 2002
Nucleation and Bulk Crystallization in Binary Phase Field Theory journal May 2002
Microstructure and phase selection in containerless processing of Fe–Ni droplets journal August 1998
Crystal-Melt Interfacial Free Energy of Elements and Alloys journal January 1991
Numerical Evidence for bcc Ordering at the Surface of a Critical fcc Nucleus journal October 1995
Phase Field Theory of Heterogeneous Crystal Nucleation journal January 2007
Atomistic simulation of an f.c.c./b.c.c. interface in NiCr alloys journal November 1997
Quantitative phase-field modeling of two-phase growth journal July 2005
Ginzburg-Landau theory for the solid-liquid interface of bcc elements journal March 1987
A thermodynamic analysis of the phase equilibria of the Fe-Ni system above 1200 K journal August 1986
A phase field concept for multiphase systems journal July 1996
Ginzburg-Landau theory of crystalline anisotropy for bcc-liquid interfaces journal March 2006
Should All Crystals Be bcc? Landau Theory of Solidification and Crystal Nucleation journal September 1978
Crystal-melt interfacial free energies and mobilities in fcc and bcc Fe journal May 2004
Homogeneous nucleation and the Ostwald step rule journal January 1999
Modelling of inoculation of metallic melts: application to grain refinement of aluminium by Al–Ti–B journal June 2000
Molecular Mechanism for the Cross-Nucleation between Polymorphs journal August 2006
Crystal Nucleation in the Hard-Sphere System Revisited: A Critical Test of Theoretical Approaches journal April 2009
Theory of the phase diagram of iron and thallium: The Burgers and Bain deformation mechanisms revised journal October 1991
Thermodynamics of bcc metals in phase-field-crystal models journal September 2009
Diffuse interface analysis of crystal nucleation in hard-sphere liquid journal December 2002
bcc Symmetry in the Crystal-Melt Interface of Lennard-Jones Fluids Examined through Density Functional Theory journal October 1996
Instability of Alexander-McTague crystals and its implication for nucleation journal October 2001

Similar Records

Phonon-deformational generalized ginzburg-landau functionals for describing martensite transitions between FCC and BCC structures in metals
Journal Article · Sun May 15 00:00:00 EDT 2011 · Journal of Experimental and Theoretical Physics · OSTI ID:1008839

Ginzburg-Landau theory of the bcc-liquid interface kinetic coefficient
Journal Article · Tue Jan 20 00:00:00 EST 2015 · Physical Review. B, Condensed Matter and Materials Physics · OSTI ID:1008839

Two-mode Ginzburg-Landau theory of crystalline anisotropy for fcc-liquid interfaces
Journal Article · Wed Feb 24 00:00:00 EST 2016 · Physical Review. B · OSTI ID:1008839