Dislocation mechanisms and 3D twin architectures generate exceptional strength-ductility-toughness combination in CrCoNi medium-entropy alloy

Combinations of high strength and ductility are hard to attain in metals. Exceptions include materials exhibiting twinning-induced plasticity. To understand how the strength-ductility trade-off can be defeated, we apply in situ, and aberration-corrected scanning, transmission electron microscopy to examine deformation mechanisms in the medium-entropy alloy CrCoNi that exhibits one of the highest combinations of strength, ductility and toughness on record. Ab initio modelling suggests that it has negative stacking-fault energy at 0K and high propensity for twinning. With deformation we find that a three-dimensional (3D) hierarchical twin network forms from the activation of three twinning systems. This serves a dual function: conventional twin-boundary (TB) strengthening from blockage of dislocations impinging on TBs, coupled with the 3D twin network which offers pathways for dislocation glide along, and cross-slip between, intersecting TB-matrix interfaces. The stable twin architecture is not disrupted by interfacial dislocation glide, serving as a continuous source of strength, ductility and toughness.

[1]  H. Sehitoglu,et al.  Effect of nitrogen on generalized stacking fault energy and stacking fault widths in high nitrogen steels , 2006 .

[2]  G. Pharr,et al.  Temperature dependence of the mechanical properties of equiatomic solid solution alloys with face-centered cubic crystal structures , 2014 .

[3]  Subra Suresh,et al.  Mechanical behavior of nanocrystalline metals and alloys , 2003 .

[4]  G. Kresse,et al.  From ultrasoft pseudopotentials to the projector augmented-wave method , 1999 .

[5]  Hafner,et al.  Ab initio molecular-dynamics simulation of the liquid-metal-amorphous-semiconductor transition in germanium. , 1994, Physical review. B, Condensed matter.

[6]  Douglas L. Irving,et al.  Mechanical Properties and Stacking Fault Energies of NiFeCrCoMn High-Entropy Alloy , 2013 .

[7]  K. Vecchio,et al.  The influence of stacking fault energy on the mechanical behavior of Cu and Cu-Al alloys: Deformation twinning, work hardening, and dynamic recovery , 2001 .

[8]  Xiaoxu Huang,et al.  Revealing the Maximum Strength in Nanotwinned Copper , 2009, Science.

[9]  A. Coujou Deformation In Situ d'un alliage a basse energie de faute d'empilement , 1983 .

[10]  B. Cantor,et al.  Microstructural development in equiatomic multicomponent alloys , 2004 .

[11]  K. Lu,et al.  Tensile properties of copper with nano-scale twins , 2005 .

[12]  Andrew M Minor,et al.  Mechanical annealing and source-limited deformation in submicrometre-diameter Ni crystals. , 2008, Nature materials.

[13]  F. Sansoz,et al.  Strengthening in Gold Nanopillars with Nanoscale Twins , 2007 .

[14]  D. Raabe,et al.  Ab initio thermodynamics of the CoCrFeMnNi high entropy alloy: Importance of entropy contributions beyond the configurational one , 2015 .

[15]  Hafner,et al.  Ab initio molecular dynamics for liquid metals. , 1995, Physical review. B, Condensed matter.

[16]  H. Bei,et al.  Relative effects of enthalpy and entropy on the phase stability of equiatomic high-entropy alloys , 2013 .

[17]  A. Dowson Precipitation-hardening of metals. , 1951, British dental journal.

[18]  George M. Pharr,et al.  Recovery, recrystallization, grain growth and phase stability of a family of FCC-structured multi-component equiatomic solid solution alloys , 2014 .

[19]  Ferreira,et al.  Special quasirandom structures. , 1990, Physical review letters.

[20]  Jian Lu,et al.  Strengthening and toughening by interface-mediated slip transfer reaction in nanotwinned copper , 2009 .

[21]  T. Tsuru,et al.  Novel Cross-Slip Mechanism of Pyramidal Screw Dislocations in Magnesium. , 2016, Physical review letters.

[22]  A. Sergueeva,et al.  Simultaneously Increasing the Ductility and Strength of Ultra‐Fine‐Grained Pure Copper , 2006 .

[23]  Peter V Liddicoat,et al.  Nanostructural hierarchy increases the strength of aluminium alloys. , 2010, Nature communications.

[24]  Noam Bernstein,et al.  A first-principles measure for the twinnability of FCC metals , 2004 .

[25]  M. Finnis,et al.  Theoretical and experimental investigations of structures and energies of Σ = 3, [112] tilt grain boundaries in copper , 1998 .

[26]  L. Priester Grain Boundaries: From Theory to Engineering , 2012 .

[27]  M. Tuckerman,et al.  IN CLASSICAL AND QUANTUM DYNAMICS IN CONDENSED PHASE SIMULATIONS , 1998 .

[28]  K. Lu,et al.  Strength and ductility of 316L austenitic stainless steel strengthened by nano-scale twin bundles , 2012 .

[29]  C. Tasan,et al.  Metastable high-entropy dual-phase alloys overcome the strength–ductility trade-off , 2016, Nature.

[30]  C. Tasan,et al.  Design of a twinning-induced plasticity high entropy alloy , 2015 .

[31]  Ting Zhu,et al.  Interfacial plasticity governs strain rate sensitivity and ductility in nanostructured metals , 2007, Proceedings of the National Academy of Sciences.

[32]  G. Vanderschaeve Cross‐slip of partial dislocations via the stair rod mode. The zigzag propagation of deformation microtwins in ordering alloys , 1987 .

[33]  Robert O. Ritchie,et al.  Nanoscale origins of the damage tolerance of the high-entropy alloy CrMnFeCoNi , 2015, Nature Communications.

[34]  R. Ritchie The conflicts between strength and toughness. , 2011, Nature materials.

[35]  S. Ferrari,et al.  Author contributions , 2021 .

[36]  R. E. Schramm,et al.  Stacking fault energies of seven commercial austenitic stainless steels , 1975 .

[37]  C. Ambrosch-Draxl,et al.  Effect of rhenium on the dislocation core structure in tungsten. , 2010, Physical review letters.

[38]  K. Lu,et al.  Strengthening Materials by Engineering Coherent Internal Boundaries at the Nanoscale , 2009, Science.

[39]  Jian Lu,et al.  High‐Strength and High‐Ductility Nanostructured and Amorphous Metallic Materials , 2014, Advanced materials.

[40]  Huajian Gao,et al.  Evading the strength–ductility trade-off dilemma in steel through gradient hierarchical nanotwins , 2014, Nature Communications.

[41]  Jian Lu,et al.  Analysis of the twin spacing and grain size effects on mechanical properties in hierarchically nanotwinned face-centered cubic metals based on a mechanism-based plasticity model , 2015 .

[42]  Budapešť,et al.  Application of the exact muffin-tin orbitals theory: the spherical cell approximation , 2000, cond-mat/0005313.

[43]  H. Maier,et al.  Deformation of single crystal hadfield steel by twinning and slip , 2000 .

[44]  Hideji Suzuki Segregation of Solute Atoms to Stacking Faults , 1962 .

[45]  Peter Neumann,et al.  Supra-Ductile and High-Strength Manganese-TRIP/TWIP Steels for High Energy Absorption Purposes , 2003 .

[46]  L. Vitos,et al.  Stacking fault energy and magnetism in austenitic stainless steels , 2008 .

[47]  Yunping Li,et al.  Strain-induced martensitic transformation near twin boundaries in a biomedical Co–Cr–Mo alloy with negative stacking fault energy , 2013 .

[48]  L. Priester,et al.  Image force on a lattice dislocation due to a grain boundary in anisotropic f.c.c. materials , 1994 .

[49]  G. Palumbo,et al.  Mechanical properties of nickel silicon carbide nanocomposites , 2002 .

[50]  S. Suresh,et al.  Strength, strain-rate sensitivity and ductility of copper with nanoscale twins , 2006 .

[51]  E. George,et al.  Tensile properties of high- and medium-entropy alloys , 2013 .

[52]  E. George,et al.  Atomic-scale characterization and modeling of 60° dislocations in a high-entropy alloy , 2016 .

[53]  C. Koch,et al.  Spin-driven ordering of Cr in the equiatomic high entropy alloy NiFeCrCo , 2015 .

[54]  Bernd Gludovatz,et al.  Exceptional damage-tolerance of a medium-entropy alloy CrCoNi at cryogenic temperatures , 2016, Nature Communications.

[55]  K. Kokko,et al.  First-principles prediction of the deformation modes in austenitic Fe-Cr-Ni alloys , 2015, 1511.08623.

[56]  H. Maier,et al.  MODELING THE DEFORMATION BEHAVIOR OF HADFIELD STEEL SINGLE AND POLYCRYSTALS DUE TO TWINNING AND SLIP , 2000 .

[57]  Andrew M. Minor,et al.  Origin of dramatic oxygen solute strengthening effect in titanium , 2015, Science.

[58]  P. Ferreira,et al.  A thermodynamic model for the stacking-fault energy , 1998 .

[59]  G. Eggeler,et al.  The influences of temperature and microstructure on the tensile properties of a CoCrFeMnNi high-entropy alloy , 2013 .

[60]  S. L. Shrestha,et al.  The effect of pre-existing defects on the strength and deformation behavior of α-Fe nanopillars , 2013 .

[61]  N. Bernstein,et al.  Tight-binding calculations of stacking energies and twinnability in fcc metals , 2004 .

[62]  T. Shun,et al.  Nanostructured High‐Entropy Alloys with Multiple Principal Elements: Novel Alloy Design Concepts and Outcomes , 2004 .

[63]  Ernst,et al.  Theoretical prediction and direct observation of the 9R structure in Ag. , 1992, Physical review letters.

[64]  A. Minor,et al.  High-strength titanium alloy nanopillars with stacking faults and enhanced plastic flow , 2012 .

[65]  K. Lu,et al.  Hardness and strain rate sensitivity of nanocrystalline Cu , 2006 .

[66]  S. Mao,et al.  High resolution transmission electron microscope observation of zero-strain deformation twinning mechanisms in Ag. , 2011, Physical review letters.

[67]  Jongho Lee,et al.  Tensile behavior of nanocrystalline Ni-Fe alloy , 2003 .

[68]  L. Hector,et al.  Quantitative prediction of solute strengthening in aluminium alloys. , 2010, Nature materials.

[69]  M. Finnis,et al.  The influence of grain boundary inclination on the structure and energy of Σ=3 grain boundaries in copper , 1992 .

[70]  R. Ritchie,et al.  A fracture-resistant high-entropy alloy for cryogenic applications , 2014, Science.

[71]  Jackson,et al.  Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation. , 1992, Physical review. B, Condensed matter.