Skip to main content
U.S. Department of Energy
Office of Scientific and Technical Information

Elastically mediated interactions between grain boundaries and precipitates in two-phase coherent solids

Journal Article · · Physical Review B
 [1];  [2];  [3]
  1. Northeastern Univ., Boston, MA (United States); Nanjing Univ. of Information Science & Technology (China); DOE/OSTI
  2. Northeastern Univ., Boston, MA (United States); Univ. of Lyon (France); Univ. Claude Bernard Lyon (France). Inst. Lumiere Matiere
  3. Northeastern Univ., Boston, MA (United States)
In this work, we investigate analytically and numerically the interaction between grain boundaries and second phase precipitates in two-phase coherent solids in the presence of misfit strain. Our numerical study uses amplitude equations that describe the interaction of composition and stress [R. Spatschek and A. Karma, Phys. Rev. B 81, 214201 (2010)] and free-energies corresponding to two-dimensional hexagonal and three-dimensional BCC crystal structures that exhibit isotropic and anisotropic elastic properties, respectively. We consider two experimentally motivated geometries where (i) a lamellar precipitate nucleates along a planar grain boundary that is centered inside the precipitate, and (ii) a circular precipitate nucleates inside a grain at a finite distance to an initially planar grain boundary. For the first geometry, we find that the grain boundary becomes morphologically unstable due to the combination of long-range elastic interaction between the grain boundary and compositional domain boundaries, and shear-coupled grain boundary motion. We characterize this instability analytically by extending the linear stability analysis carried out recently [P.-A. Geslin, Y.-C. Xu, and A. Karma, Phys. Rev. Lett. 114, 105501 (2015)] to the more general case of elastic anisotropy. The analysis predicts that elastic anisotropy hinders but does not suppress the instability. Simulations also reveal that, in a well-developed nonlinear regime, this instability can lead to the break-up of low-angle grain boundaries when the misfit strain exceeds a threshold that depends on the grain boundary misorientation. For the second geometry, simulations show that the elastic interaction between an initially planar grain boundary and an adjacent circular precipitate causes the precipitate to migrate to and anchor at the grain boundary.
Research Organization:
Northeastern Univ., Boston, MA (United States)
Sponsoring Organization:
USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
FG02-07ER46400
OSTI ID:
1535776
Alternate ID(s):
OSTI ID: 1329945
OSTI ID: 1906133
Journal Information:
Physical Review B, Journal Name: Physical Review B Journal Issue: 14 Vol. 94; ISSN 2469-9950
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English

References (57)

Phase Transformations in Metals and Alloys book January 1992
Interface morphology development during stress corrosion cracking: Part I. Via surface diffusion journal July 1972
Dynamics of grain boundaries under applied mechanical stress journal January 2011
Nucleation on dislocations journal March 1957
On spinodal decomposition journal September 1961
On the mechanism of serrated grain boundary formation in Ni-based superalloys journal July 1983
On the stability of surfaces of stressed solids journal February 1989
Solute segregation and coherent nucleation and growth near a dislocation—a phase-field model integrating defect and phase microstructures journal February 2001
Phase field study of grain boundary effects on spinodal decomposition journal September 2003
Spinodal decomposition, ordering transformation, and discontinuous precipitation in a Cu–15Ni–8Sn alloy journal July 1998
A unified approach to motion of grain boundaries, relative tangential translation along grain boundaries, and grain rotation journal September 2004
Spinodal decomposition in a film with periodically distributed interfacial dislocations journal June 2004
Modeling of the effect of the β phase deformation on the α phase precipitation in near-β titanium alloys journal September 2006
Coupling grain boundary motion to shear deformation journal November 2006
Survey of computed grain boundary properties in face-centered cubic metals—II: Grain boundary mobility journal August 2009
Stress-driven migration of symmetrical 〈100〉 tilt grain boundaries in Al bicrystals journal October 2009
Phase field crystal simulations of nanocrystalline grain growth in two dimensions journal January 2012
Stress-driven migration of simple low-angle mixed grain boundaries journal February 2012
Coupled motion of asymmetrical tilt grain boundaries: Molecular dynamics and phase field crystal simulations journal November 2012
Investigation of coherency loss by prismatic punching with a nonlinear elastic model journal June 2014
Phase field study of acicular growth: Role of elasticity in Widmanstätten structure journal June 2014
The role of disconnections in deformation-coupled grain boundary migration journal September 2014
On the heat treatment of Rene-80 nickel-base superalloy journal June 2006
On the formation of serrated grain boundaries and fan type structures in an advanced polycrystalline nickel-base superalloy journal January 2009
Three-dimensional morphology of grain boundary Widmanstätten ferrite in a low carbon low alloy steel journal February 2010
Stress-driven grain growth in nanocrystalline Pt thin films journal January 2011
Free Energy of a Nonuniform System. III. Nucleation in a Two‐Component Incompressible Fluid journal September 1959
Alloy destabilization by dislocations journal May 2005
Scaling of domain size during spinodal decomposition: Dislocation discreteness and mobility effects journal December 2005
Mobility of low-angle grain boundaries in pure metals journal July 2010
Interactions between grain boundary and compositional domain boundary during spinodal decomposition in nanocrystalline alloys journal June 2013
Effect of Grain Boundary on Spinodal Decomposition Using the Phase Field Crystal Method journal July 2012
Polymorphism, crystal nucleation and growth in the phase-field crystal model in 2D and 3D journal August 2010
On Impurities in Metals journal June 1931
Influence of mobile dislocations on phase separation in binary alloys journal February 2004
Dynamics of grain boundary motion coupled to shear deformation: An analytical model and its verification by molecular dynamics journal August 2008
Amplitude equations for polycrystalline materials with interaction between composition and stress journal June 2010
Continuum model of irradiation-induced spinodal decomposition in the presence of dislocations journal May 2011
Phase-field-crystal study of grain boundary premelting and shearing in bcc iron journal January 2013
Ginzburg-Landau theory of the bcc-liquid interface kinetic coefficient journal January 2015
Modeling elastic and plastic deformations in nonequilibrium processing using phase field crystals journal November 2004
Renormalization group approach to multiscale simulation of polycrystalline materials using the phase field crystal model journal August 2005
Diffusive atomistic dynamics of edge dislocations in two dimensions journal March 2006
Renormalization-group theory for the phase-field crystal equation journal July 2006
Phase field crystal study of deformation and plasticity in nanocrystalline materials journal October 2009
Amplitude expansion of the binary phase-field-crystal model journal January 2010
Phase-field-crystal model for fcc ordering journal June 2010
Phase-field-crystal methodology for modeling of structural transformations journal March 2011
Surface Modes of Coherent Spinodal Decomposition journal June 2012
Microstructure Map for Self-Organized Phase Separation during Film Deposition journal August 2012
Relationship between Equilibrium Fluctuations and Shear-Coupled Motion of Grain Boundaries journal August 2012
Unified Theoretical Framework for Polycrystalline Pattern Evolution journal June 2013
Morphological Instability of Grain Boundaries in Two-Phase Coherent Solids journal March 2015
Modeling Elasticity in Crystal Growth journal June 2002
Arrested Swelling of Highly Entangled Polymer Globules journal June 2003
Experimental Observations of Stress-Driven Grain Boundary Migration journal December 2009
Electrochemically Driven Phase Transitions in Insertion Electrodes for Lithium-Ion Batteries: Examples in Lithium Metal Phosphate Olivines journal June 2010

Cited By (5)

Controlling the energy of defects and interfaces in the amplitude expansion of the phase-field crystal model journal August 2017
Localized instabilities and spinodal decomposition in driven systems in the presence of elasticity journal January 2018
Defects at grain boundaries: A coarse-grained, three-dimensional description by the amplitude expansion of the phase-field crystal model journal May 2018
Localized instabilities and spinodal decomposition in driven systems in the presence of elasticity text January 2017
Localized instabilities and spinodal decomposition in driven systems in the presence of elasticity
  • Meca, Esteban; Münch, Andreas; Wagner, Barbara
  • Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik https://doi.org/10.34657/2637
null January 2017

Similar Records

Amplitude equations for polycrystalline materials with interaction between composition and stress
Journal Article · Tue Jun 08 20:00:00 EDT 2010 · Physical Review. B, Condensed Matter and Materials Physics · OSTI ID:1906047

On the shape evolution of coherent precipitates: Discrete atom method
Conference · Mon Dec 30 23:00:00 EST 1996 · OSTI ID:479299

Morphological Instability of Grain Boundaries in Two-Phase Coherent Solids
Journal Article · Sun Mar 08 20:00:00 EDT 2015 · Physical Review Letters · OSTI ID:1906116