Embedded-atom study of grain boundary segregation and grain boundary free energy in nanosized iron–chromium tricrystals
Bibliographic record
Abstract
No abstract is available for this record. The assistant can identify its topic from the title, but cannot infer the study’s results.
Source: Not provided · Quality: missing
Research context
OpenAlex topics: Microstructure and mechanical properties · Fusion materials and technologies · Ion-surface interactions and analysis
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (50)
Show source-provided references
1. Grain coarsening inhibited by solute segregation10.1016/S1359-6454(01)00338-X ↗
2. Reducing grain boundary, dislocation line, and vacancy formation energies by solute segregation. I. Theoretical background10.1016/j.actamat.2007.05.047 ↗
3. Reducing grain boundary, dislocation line, and vacancy formation energies by solute segregation. II. Experimental evidence and consequences10.1016/j.actamat.2007.05.033 ↗
4. Atomic structure and thermal stability of nanostructured Y–Fe alloys10.1016/0965-9773(92)90076-A ↗
5. Thermodynamic stabilization of grain boundaries in nanocrystalline alloys
6. Atomistic simulation of grain boundary energetics — effects of dopants10.1016/j.actamat.2005.04.031 ↗
7. Equilibrium of heterogeneous substances. I
8. Kittel · 2004
9. Effect of iron additions on intergranular cohesion in chromium10.1088/0953-8984/21/48/485002 ↗
10. Cohesive and magnetic properties of grain boundaries in bcc Fe with Cr additions10.1103/PhysRevB.81.094104 ↗
11. Embedded-atom potential for an accurate thermodynamic description of the iron–chromium system10.1016/j.commatsci.2015.03.047 ↗
12. Thermodynamics of coherent interfaces under mechanical stresses. I. Theory
13. Thermodynamics of coherent interfaces under mechanical stresses. II. Application to atomistic simulation of grain boundaries
14. The geometric and thermodynamic properties of grain boundary junctions10.1023/A:1008769209265 ↗
15. Embedded-atom study of low-energy equilibrium triple junction structures and energies10.1016/j.actamat.2016.02.058 ↗
16. On the design of controlled tricrystal specimens for the systematic investigation of static grain boundary triple junction properties10.1007/s10853-005-2410-0 ↗
17. Grain boundary structures in polycrystalline metals at the nanoscale10.1103/PhysRevB.62.831 ↗
18. Excess energy of grain-boundary trijunctions: an atomistic simulation study10.1016/S1359-6454(99)00120-2 ↗
19. Grain boundary and triple junction enthalpies in nanocrystalline metals10.1103/PhysRevB.63.134101 ↗
20. Molecular dynamics modeling of self-diffusion along a triple junction10.1103/PhysRevB.79.174110 ↗
21. Molecular dynamics investigation of the diffusion permeability of triple junctions of tilt and mixed-type boundaries in nickel10.1134/S1063783413090254 ↗
22. Atomic-scale investigation of triple junction role on defects binding energetics and structural stability in α-Fe10.1016/j.actamat.2016.07.026 ↗
23. Scalable parallel Monte Carlo algorithm for atomistic simulations of precipitation in alloys10.1103/PhysRevB.85.184203 ↗
24. Ab initio study of symmetrical tilt grain boundaries in bcc Fe: structural units, magnetic moments, interfacial bonding, local energy, and local stress10.1088/0953-8984/25/13/135004 ↗
25. Ab initio perspective of the 〈110〉 symmetrical tilt grain boundaries in bcc Fe: application of local energy and local stress10.1007/s10853-014-8038-1 ↗
26. Lattice dynamics studies of grain boundary structures10.1016/0039-6028(82)90211-4 ↗
27. Segregation of Cr at tilt grain boundaries in Fe–Cr alloys: a Metropolis Monte Carlo study10.1016/j.jnucmat.2010.11.024 ↗
28. Assessment of the CSL and SU models for bcc-Fe grain boundaries from first principles10.1016/j.commatsci.2016.05.009 ↗
29. Structural, electronic, and magnetic properties of bcc iron surfaces10.1016/j.susc.2006.09.013 ↗
30. Density functional study of surface properties of chromium10.1016/j.susc.2007.11.005 ↗
31. Triple junction segregation in nanocrystalline multilayers10.1103/PhysRevB.83.121407 ↗
32. Grain boundary specific segregation in nanocrystalline Fe(Cr)10.1038/srep34642 ↗
33. Calculation of the surface segregation of Ni–Cu alloys with the use of the embedded-atom method10.1103/PhysRevB.32.7685 ↗
34. Triple lines in materials science and engineering10.1016/j.scriptamat.2010.02.020 ↗
35. Maradudin · 1963
36. Evaluation of harmonic methods for calculating the free energy of defects in solids10.1103/PhysRevB.49.14930 ↗
37. Thermodynamics of solid and liquid embedded-atom method metals: a variational study10.1063/1.460547 ↗
38. Finite-temperature defect properties from free-energy minimization10.1103/PhysRevLett.63.624 ↗
39. Frenkel · 2001 · vol. 1
40. The optimum addition of points to quadrature formulae10.1090/S0025-5718-68-99866-9 ↗
41. Semiempirical, quantum mechanical calculation of hydrogen embrittlement in metals10.1103/PhysRevLett.50.1285 ↗
42. Embedded-atom method: derivation and application to impurities, surfaces, and other defects in metals10.1103/PhysRevB.29.6443 ↗
43. Embedded-atom method functions for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys10.1103/PhysRevB.33.7983 ↗
44. Two-band second moment model and an interatomic potential for caesium10.1103/PhysRevB.67.174108 ↗
45. Many-body potentials and atomic-scale relaxations in noble-metal alloys10.1103/PhysRevB.41.10324 ↗
46. Phase diagram of an empirical potential: the case of Fe–Cu10.1103/PhysRevB.68.214205 ↗
47. Modeling of chromium precipitation in Fe–Cr alloys10.1103/PhysRevB.69.094103 ↗
48. Electronic origin of the anomalous stability of Fe-rich bcc Fe–Cr alloys10.1103/PhysRevB.73.104416 ↗
49. Development of an interatomic potential for phosphorus impurities in α-iron10.1088/0953-8984/16/27/003 ↗
50. Two-band modeling of α′ phase formation in Fe–Cr10.1103/PhysRevB.72.214119 ↗