An overview of modeling the stacking faults in lightweight and high-entropy alloys: Theory and application

Pei, Zongrui

doi:10.1016/j.msea.2018.09.028

Title: An overview of modeling the stacking faults in lightweight and high-entropy alloys: Theory and application

Authors:: Pei, Zongrui

Publication Date:: Thu Nov 01 00:00:00 EDT 2018

Sponsoring Org.:: USDOE

OSTI Identifier:: 1636603

Grant/Contract Number:: AC05-00OR22725

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Materials Science and Engineering. A, Structural Materials: Properties, Microstructure and Processing

Additional Journal Information:: Journal Name: Materials Science and Engineering. A, Structural Materials: Properties, Microstructure and Processing Journal Volume: 737 Journal Issue: C; Journal ID: ISSN 0921-5093

Publisher:: Elsevier

Country of Publication:: Netherlands

Language:: English

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                    Pei, Zongrui. An overview of modeling the stacking faults in lightweight and high-entropy alloys: Theory and application.  Netherlands: N. p., 2018. 
Web.  doi:10.1016/j.msea.2018.09.028.

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                    Pei, Zongrui. An overview of modeling the stacking faults in lightweight and high-entropy alloys: Theory and application.  Netherlands.  https://doi.org/10.1016/j.msea.2018.09.028

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                    Pei, Zongrui. Thu .  
"An overview of modeling the stacking faults in lightweight and high-entropy alloys: Theory and application".  Netherlands.  https://doi.org/10.1016/j.msea.2018.09.028.

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@article{osti_1636603,

  title        = {An overview of modeling the stacking faults in lightweight and high-entropy alloys: Theory and application},

  author       = {Pei, Zongrui},

  abstractNote = {},

  doi          = {10.1016/j.msea.2018.09.028},

  journal      = {Materials Science and Engineering. A, Structural Materials: Properties, Microstructure and Processing},

  number       = C,

  volume       = 737,

  place        = {Netherlands},

  year         = {Thu Nov 01 00:00:00 EDT 2018},

  month        = {Thu Nov 01 00:00:00 EDT 2018}

}

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Mahato, B.; Shee, S. K.; Sahu, T.
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Ma, Duancheng; Grabowski, Blazej; Körmann, Fritz
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Acta Materialia, Vol. 58, Issue 8
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First-principles investigation of the effect of carbon on the stacking fault energy of Fe–C alloys
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Abbasi, Afshin; Dick, Alexey; Hickel, Tilmann
Acta Materialia, Vol. 59, Issue 8
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Title: An overview of modeling the stacking faults in lightweight and high-entropy alloys: Theory and application

Citation Formats

Additional modes of deformation twinning in magnesium journal, December 1957

Comprehensive first-principles study of stable stacking faults in hcp metals journal, January 2017

Computationally efficient and quantitatively accurate multiscale simulation of solid-solution strengthening by ab initio calculation journal, February 2015

Temperature dependent stacking fault energy of FeCrCoNiMn high entropy alloy journal, November 2015

First-principles calculations of stacking fault energies in Mg-Y, Mg-Al and Mg-Zn alloys and implications for 〈 c + a 〉 activity journal, September 2017

Tight-binding calculations of stacking energies and twinnability in fcc metals journal, March 2004

Microstructural development in equiatomic multicomponent alloys journal, July 2004

Generalized planar fault energies and twinning in Cu–Al alloys journal, November 2006

Generalized-stacking-fault energy and twin-boundary energy of hexagonal close-packed Au: A first-principles calculation journal, May 2015

Impurity effect of Mg on the generalized planar fault energy of Al journal, April 2016

Solution softening in magnesium alloys: the effect of solid solutions on the dislocation core structure and nonbasal slip journal, December 2012

On the room temperature deformation mechanisms of a Mg–Y–Zn alloy with long-period-stacking-ordered structures journal, January 2015

Influence of local stresses on motion of edge dislocation in aluminum journal, February 2018

Calculated thermal properties of metals journal, January 1988

Shuffling-controlled versus strain-controlled deformation twinning: The case for HCP Mg twin nucleation journal, July 2016

A rare-earth free magnesium alloy with improved intrinsic ductility journal, September 2017

Superb strength and high plasticity in laves phase rich eutectic medium-entropy-alloy nanocomposites journal, July 2018

Critical stress for twinning nucleation in CrCoNi-based medium and high entropy alloys journal, May 2018

Generalized stacking fault energies, ductilities, and twinnabilities of Ni and selected Ni alloys journal, September 2005

Basal-plane stacking-fault energies of Mg: A first-principles study of Li- and Al-alloying effects journal, April 2011

Generalized stacking fault energies, ductilities, and twinnabilities of CoCrFeNi-based face-centered cubic high entropy alloys journal, October 2017

Dislocation motion in magnesium: a study by molecular statics and molecular dynamics journal, August 2009

A climbing image nudged elastic band method for finding saddle points and minimum energy paths journal, December 2000

Periodic image effects in dislocation modelling journal, January 2003

The origins of high hardening and low ductility in magnesium journal, September 2015

Size effect, critical resolved shear stress, stacking fault energy, and solid solution strengthening in the CrMnFeCoNi high-entropy alloy journal, October 2016

Grown-in twin boundaries affecting deformation mechanisms in nc-metals journal, December 2004

Ab initio and atomistic study of generalized stacking fault energies in Mg and Mg–Y alloys journal, April 2013

Basal and prism dislocation cores in magnesium: comparison of first-principles and embedded-atom-potential methods predictions journal, June 2009

Basal-plane stacking fault energy of hexagonal close-packed metals based on the Ising model journal, February 2013

Dislocation Dissociations in hcp Metals journal, April 1970

Stacking fault energies of face-centered cubic concentrated solid solution alloys journal, August 2017

Flexible boundary conditions and nonlinear geometric effects in atomic dislocation modeling journal, July 1978

Effects of doping atoms on the generalized stacking-fault energies of Mg alloys from first-principles calculations journal, September 2013

Fundamental deformation behavior in high-entropy alloys: An overview journal, October 2017

Polymorphism in a high-entropy alloy journal, June 2017

First-principles study of stacking fault energies in Mg-based binary alloys journal, November 2013

Nanostructured High-Entropy Alloys with Multiple Principal Elements: Novel Alloy Design Concepts and Outcomes journal, May 2004

Density-functional Monte-Carlo simulation of CuZn order-disorder transition journal, January 2016

Density functional theory study on stacking faults and twinning in Ni nanofilms journal, January 2009

From generalized stacking fault energies to dislocation properties: Five-energy-point approach and solid solution effects in magnesium journal, August 2015

Interaction between long period stacking order phase and deformation twin in rapidly solidified Mg97Zn1Y2 alloy journal, November 2004

Free energies of generalized stacking faults in Si and implications for the brittle-ductile transition journal, June 1993

Ductility improvement of Mg alloys by solid solution: Ab initio modeling, synthesis and mechanical properties journal, May 2014

Crystal-melt interfacial free energies in hcp metals: A molecular dynamics study of Mg journal, January 2006

Non-equilibrium basal stacking faults in hexagonal close-packed metals journal, May 2015

Solid solution strengthening of hexagonal titanium alloys: Restoring forces and stacking faults calculated from first principles journal, January 2016

Acceleration of the Particle Swarm Optimization for Peierls–Nabarro modeling of dislocations in conventional and high-entropy alloys journal, June 2017

Deformation twinning journal, January 1995

Intrinsic stacking faults in body-centred cubic crystals journal, October 1968

Origins and dissociation of pyramidal <c + a> dislocations in magnesium and its alloys journal, March 2018

Relationship between stacking‐fault energy and x‐ray measurements of stacking‐fault probability and microstrain journal, November 1974

A first-principles measure for the twinnability of FCC metals journal, November 2004

Variation in electron work function with temperature and its effect on the Young’s modulus of metals journal, April 2015

Deformation Induced Microtwins and Stacking Faults in Aluminum Single Crystal journal, September 2008

X‐Ray Measurement of Order in Single Crystals of Cu 3 Au journal, January 1950

Structure of dislocation cores in metallic materials and its impact on their plastic behaviour journal, January 1992

Contribution of van der Waals forces to the plasticity of magnesium journal, April 2016

Energy landscape of deformation twinning in bcc and fcc metals journal, June 2005

The size of a dislocation journal, January 1940

Direct observation of dislocation dissociation and Suzuki segregation in a Mg–Zn–Y alloy by aberration-corrected scanning transmission electron microscopy journal, January 2013

Magnetically-driven phase transformation strengthening in high entropy alloys journal, April 2018

Extended zonal dislocations mediating twinning in titanium journal, December 2011

Electronic structure calculations of solids using the WIEN2k package for material sciences journal, August 2002

First-principles calculations of grain boundary theoretical shear strength using transition state finding to determine generalized gamma surface cross sections journal, January 2002

Impact of local magnetism on stacking fault energies: A first-principles investigation for fcc iron journal, June 2016

Modified embedded-atom method interatomic potentials for Mg–X (X=Y, Sn, Ca) binary systems journal, March 2015

The relation between ductility and stacking fault energies in Mg and Mg–Y alloys journal, April 2012

Dislocations and stacking faults journal, January 1970

The activation energy for dislocation nucleation at a crack journal, February 1994

The influences of temperature and microstructure on the tensile properties of a CoCrFeMnNi high-entropy alloy journal, September 2013

Temperature dependence of the mechanical properties of equiatomic solid solution alloys with face-centered cubic crystal structures journal, December 2014

An Approximate Theory of Order in Alloys journal, March 1950

Solution of the Schrödinger Equation in Periodic Lattices with an Application to Metallic Lithium journal, June 1954

Long-period ordered structure in a high-strength nanocrystalline Mg-1 at% Zn-2 at% Y alloy studied by atomic-resolution Z-contrast STEM journal, September 2002

Quantitative prediction of twinning stress in fcc alloys: Application to Cu-Al journal, June 2009

Realizing strength-ductility combination of coarse-grained Al0.2Co1.5CrFeNi1.5Ti0.3 alloy via nano-sized, coherent precipitates journal, January 2018

Infinitely Many Commensurate Phases in a Simple Ising Model journal, June 1980

Additional modes of deformation twinning in magnesium
journal, December 1957

Comprehensive first-principles study of stable stacking faults in hcp metals
journal, January 2017

Computationally efficient and quantitatively accurate multiscale simulation of solid-solution strengthening by ab initio calculation
journal, February 2015

Temperature dependent stacking fault energy of FeCrCoNiMn high entropy alloy
journal, November 2015

First-principles calculations of stacking fault energies in Mg-Y, Mg-Al and Mg-Zn alloys and implications for $〈 c + a 〉$ activity
journal, September 2017

Tight-binding calculations of stacking energies and twinnability in fcc metals
journal, March 2004

Microstructural development in equiatomic multicomponent alloys
journal, July 2004

Generalized planar fault energies and twinning in Cu–Al alloys
journal, November 2006

Generalized-stacking-fault energy and twin-boundary energy of hexagonal close-packed Au: A first-principles calculation
journal, May 2015

Impurity effect of Mg on the generalized planar fault energy of Al
journal, April 2016

Solution softening in magnesium alloys: the effect of solid solutions on the dislocation core structure and nonbasal slip
journal, December 2012

On the room temperature deformation mechanisms of a Mg–Y–Zn alloy with long-period-stacking-ordered structures
journal, January 2015

Influence of local stresses on motion of edge dislocation in aluminum
journal, February 2018

Calculated thermal properties of metals
journal, January 1988

Shuffling-controlled versus strain-controlled deformation twinning: The case for HCP Mg twin nucleation
journal, July 2016

A rare-earth free magnesium alloy with improved intrinsic ductility
journal, September 2017

Superb strength and high plasticity in laves phase rich eutectic medium-entropy-alloy nanocomposites
journal, July 2018

Critical stress for twinning nucleation in CrCoNi-based medium and high entropy alloys
journal, May 2018

Generalized stacking fault energies, ductilities, and twinnabilities of Ni and selected Ni alloys
journal, September 2005

Basal-plane stacking-fault energies of Mg: A first-principles study of Li- and Al-alloying effects
journal, April 2011

Generalized stacking fault energies, ductilities, and twinnabilities of CoCrFeNi-based face-centered cubic high entropy alloys
journal, October 2017

Dislocation motion in magnesium: a study by molecular statics and molecular dynamics
journal, August 2009

A climbing image nudged elastic band method for finding saddle points and minimum energy paths
journal, December 2000

Periodic image effects in dislocation modelling
journal, January 2003

The origins of high hardening and low ductility in magnesium
journal, September 2015

Size effect, critical resolved shear stress, stacking fault energy, and solid solution strengthening in the CrMnFeCoNi high-entropy alloy
journal, October 2016

Grown-in twin boundaries affecting deformation mechanisms in nc-metals
journal, December 2004

Ab initio and atomistic study of generalized stacking fault energies in Mg and Mg–Y alloys
journal, April 2013

Basal and prism dislocation cores in magnesium: comparison of first-principles and embedded-atom-potential methods predictions
journal, June 2009

Basal-plane stacking fault energy of hexagonal close-packed metals based on the Ising model
journal, February 2013

Dislocation Dissociations in hcp Metals
journal, April 1970

Stacking fault energies of face-centered cubic concentrated solid solution alloys
journal, August 2017

Flexible boundary conditions and nonlinear geometric effects in atomic dislocation modeling
journal, July 1978

Effects of doping atoms on the generalized stacking-fault energies of Mg alloys from first-principles calculations
journal, September 2013

Fundamental deformation behavior in high-entropy alloys: An overview
journal, October 2017

Polymorphism in a high-entropy alloy
journal, June 2017

First-principles study of stacking fault energies in Mg-based binary alloys
journal, November 2013

Nanostructured High-Entropy Alloys with Multiple Principal Elements: Novel Alloy Design Concepts and Outcomes
journal, May 2004

Density-functional Monte-Carlo simulation of CuZn order-disorder transition
journal, January 2016

Density functional theory study on stacking faults and twinning in Ni nanofilms
journal, January 2009

From generalized stacking fault energies to dislocation properties: Five-energy-point approach and solid solution effects in magnesium
journal, August 2015

Interaction between long period stacking order phase and deformation twin in rapidly solidified Mg97Zn1Y2 alloy
journal, November 2004

Free energies of generalized stacking faults in Si and implications for the brittle-ductile transition
journal, June 1993

Ductility improvement of Mg alloys by solid solution: Ab initio modeling, synthesis and mechanical properties
journal, May 2014

Crystal-melt interfacial free energies in hcp metals: A molecular dynamics study of Mg
journal, January 2006

Non-equilibrium basal stacking faults in hexagonal close-packed metals
journal, May 2015

Solid solution strengthening of hexagonal titanium alloys: Restoring forces and stacking faults calculated from first principles
journal, January 2016

Acceleration of the Particle Swarm Optimization for Peierls–Nabarro modeling of dislocations in conventional and high-entropy alloys
journal, June 2017

Deformation twinning
journal, January 1995

Intrinsic stacking faults in body-centred cubic crystals
journal, October 1968

Origins and dissociation of pyramidal <c + a> dislocations in magnesium and its alloys
journal, March 2018

Relationship between stacking‐fault energy and x‐ray measurements of stacking‐fault probability and microstrain
journal, November 1974

A first-principles measure for the twinnability of FCC metals
journal, November 2004

Variation in electron work function with temperature and its effect on the Young’s modulus of metals
journal, April 2015

Deformation Induced Microtwins and Stacking Faults in Aluminum Single Crystal
journal, September 2008

X‐Ray Measurement of Order in Single Crystals of Cu ₃ Au
journal, January 1950

Structure of dislocation cores in metallic materials and its impact on their plastic behaviour
journal, January 1992

Contribution of van der Waals forces to the plasticity of magnesium
journal, April 2016

Energy landscape of deformation twinning in bcc and fcc metals
journal, June 2005

The size of a dislocation
journal, January 1940

Direct observation of dislocation dissociation and Suzuki segregation in a Mg–Zn–Y alloy by aberration-corrected scanning transmission electron microscopy
journal, January 2013

Magnetically-driven phase transformation strengthening in high entropy alloys
journal, April 2018

Extended zonal dislocations mediating twinning in titanium
journal, December 2011

Electronic structure calculations of solids using the WIEN2k package for material sciences
journal, August 2002

First-principles calculations of grain boundary theoretical shear strength using transition state finding to determine generalized gamma surface cross sections
journal, January 2002

Impact of local magnetism on stacking fault energies: A first-principles investigation for fcc iron
journal, June 2016

Modified embedded-atom method interatomic potentials for Mg–X (X=Y, Sn, Ca) binary systems
journal, March 2015

The relation between ductility and stacking fault energies in Mg and Mg–Y alloys
journal, April 2012

Dislocations and stacking faults
journal, January 1970

The activation energy for dislocation nucleation at a crack
journal, February 1994

The influences of temperature and microstructure on the tensile properties of a CoCrFeMnNi high-entropy alloy
journal, September 2013

Temperature dependence of the mechanical properties of equiatomic solid solution alloys with face-centered cubic crystal structures
journal, December 2014

An Approximate Theory of Order in Alloys
journal, March 1950

Solution of the Schrödinger Equation in Periodic Lattices with an Application to Metallic Lithium
journal, June 1954

Long-period ordered structure in a high-strength nanocrystalline Mg-1 at% Zn-2 at% Y alloy studied by atomic-resolution Z-contrast STEM
journal, September 2002

Quantitative prediction of twinning stress in fcc alloys: Application to Cu-Al
journal, June 2009

Realizing strength-ductility combination of coarse-grained Al0.2Co1.5CrFeNi1.5Ti0.3 alloy via nano-sized, coherent precipitates
journal, January 2018

Infinitely Many Commensurate Phases in a Simple Ising Model
journal, June 1980

Elastic properties of Al CrMnFeCoNi (0 ≤ x ≤ 5) high-entropy alloys from ab initio theory
journal, August 2018

A Peierls criterion for the onset of deformation twinning at a crack tip
journal, May 2003