Elastic Properties of Fe–C and Fe–N Martensites

  title={Elastic Properties of Fe–C and Fe–N Martensites},
  author={Maaouia Souissi and H. Numakura},
  journal={Isij International},
Single crystal elastic constants of bcc iron and bct FeC and FeN alloys, martensites, have been evaluated by ab initio calculations based on the density functional theory. The energy of a strained crystal has been computed using the supercell method at several values of the strain intensity, and the stiffness coefficient has been determined from the slope of the energy versus square of strain relation. Some of the third order elastic constants have also been evaluated. The absolute magnitudes… 
Impact of solutes on the lattice parameters and elastic stiffness coefficients of hcp Fe from first-principles calculations
Abstract The hexagonal close-packed (hcp) e -martensite phase in steels nucleates from the γ -austenite parent phase and can undergo further transformation to the α ′ -martensite phase or exist as a
Nonlinear elastic behavior of iron-carbon alloys at the nanoscale
  • P. Maugis
  • Materials Science
    Computational Materials Science
  • 2019
Abstract We studied the elastic response of body-centered iron-carbon crystals. By coupling a mean-field elastochemical model with a kinetic Monte Carlo algorithm, we computed stress – composition
Ab initio characterization of B, C, N, and O in bcc iron: Solution and migration energies and elastic strain fields
Abstract Practical and reliable methods for theoretically determining the properties of B, C, N, and O in bcc iron have been explored by systematic DFT calculations. The energies of solution and
Predicting elastic anisotropy of dual-phase steels based on crystal mechanics and microstructure
Abstract This work utilizes mean-field self-consistent and full-field fast Fourier transform-based homogenizations to study the effective elastic behavior of several steels: three dual-phase (DP), DP
Data files for ab initio calculations of the lattice parameter and elastic stiffness coefficients of bcc Fe with solutes.
We present computed datasets on changes in the lattice parameter and elastic stiffness coefficients of bcc Fe due to substitutional Al, B, Cu, Mn, and Si solutes, and octahedral interstitial C and N
Effect of carbon on elastic properties and microstructure of maraging steel: First-principles and phase-field study
Abstract The effect of the carbon concentration on the elastic properties and martensitic microstructure of Marval X12 steel is studied using first principles calculations and phase-field
Effect of solutes on the lattice parameters and elastic stiffness coefficients of body-centered tetragonal Fe
Abstract We compute changes in the lattice parameters and elastic stiffness coefficients C ij of body-centered tetragonal (bct) Fe due to Al, B, C, Cu, Mn, Si, and N solutes. Solute strain misfit
Theoretical and experimental investigations on mechanical properties of Co1−Ni Sn2 intermetallic compounds
Abstract The effects of Ni element on mechanical properties of CoSn2 phase were investigated by means of first-principles calculations and nano-indentation measurements in this work. Theoretical
Ferrite, martensite and supercritical iron: A coherent elastochemical theory of stress-induced carbon ordering in steel
  • P. Maugis
  • Materials Science
    Acta Materialia
  • 2018
Abstract A mean-field model based on the elasticity theory of point defects has been developed to investigate the role of uniform stress fields on the long-range ordering of carbon atoms in bct-iron.
Stress-controlled carbon diffusion channeling in bct-iron: A mean-field theory
Diffusion of interstitial carbon atoms in iron is the rate-limiting phenomenon of a number of phase transitions in body-centered (bcc) and body-centered tetragonal (bct) phases such as ferrite and


Steels: Processing, Structure, And Performance
In this Second Edition, new information and references are integrated into chapters. Emphasis is still on processing, alloying, microstructure, deformation, fracture and properties of major steel
Physical Properties of Crystals: Their Representation by Tensors and Matrices
First published in 1957, this classic study has been reissued in a paperback version that includes an additional chapter bringing the material up to date. The author formulates the physical
Phase Transition Dynamics
User's Guide.- General Theory of Phase Transition Dynamics.- Dynamic Transition Theory.- Equilibrium Phase Transition in Statistical Physics.- Fluid Dynamics.- Geophysical Fluid Dynamics and Climate
Phase Transition Dynamics: Statics
Papaconstantopoulos: Intermetallic Compounds: Vol. 1, Principles, ed
  • 1994