Atomic structures of interfacial solute gateways to θ' precipitates in Al-Cu alloys

Chisholm, Matthew; Shin, Dongwon; Duscher, Gerd; Oxley, Mark P.; Allard Jr, Lawrence F.; Poplawsky, Jonathan D.; Shyam, Amit

doi:10.1016/j.actamat.2021.116891

Title: Atomic structures of interfacial solute gateways to θ' precipitates in Al-Cu alloys

Abstract

Many materials employed in critical structural applications depend upon metastable strengthening precipitates that transform or dissolve at elevated temperatures. Herein, aberration-corrected scanning transmission electron microscopy and first-principles calculations are used to accurately determine the atomic structure of the highly mobile, semi-coherent precipitate interfaces that control this process in the classic θ' (Al₂Cu) precipitate in the Al-Cu system. Semi-coherent {110} interfaces are found to be composed of an array of unexpected misfit dislocations that are arranged in two different structural units. Dislocations accommodate nearly all of the misfit between the Al matrix and strengthening phase. Cu is observed to segregate to the compressed edge of the dislocation cores at specific sites in this interface. First-principles calculations revealed the energetic landscape that facilitates these sites to become entry and exit gateways of Cu atoms in this semi-coherent interface. In conclusion, this investigation reveals critical features within semi-coherent interfaces that determine the thermal stability of precipitation-hardened alloys.

Authors:

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Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Univ. of Tennessee, Knoxville, TN (United States)

Publication Date:: Thu Apr 22 00:00:00 EDT 2021

Research Org.:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Energy Efficiency and Renewable Energy (EERE)

OSTI Identifier:: 1807286

Grant/Contract Number:: AC05-00OR22725

Resource Type:: Accepted Manuscript

Journal Name:: Acta Materialia

Additional Journal Information:: Journal Volume: 212; Journal Issue: NA; Journal ID: ISSN 1359-6454

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; Al alloys; Precipitates; Atomic structure; Interfacial segregation; STEM

Citation Formats


                    Chisholm, Matthew, Shin, Dongwon, Duscher, Gerd, Oxley, Mark P., Allard Jr, Lawrence F., Poplawsky, Jonathan D., and Shyam, Amit. Atomic structures of interfacial solute gateways to θ' precipitates in Al-Cu alloys.  United States: N. p., 2021. 
Web.  doi:10.1016/j.actamat.2021.116891.

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                    Chisholm, Matthew, Shin, Dongwon, Duscher, Gerd, Oxley, Mark P., Allard Jr, Lawrence F., Poplawsky, Jonathan D., & Shyam, Amit. Atomic structures of interfacial solute gateways to θ' precipitates in Al-Cu alloys.  United States.  https://doi.org/10.1016/j.actamat.2021.116891

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                    Chisholm, Matthew, Shin, Dongwon, Duscher, Gerd, Oxley, Mark P., Allard Jr, Lawrence F., Poplawsky, Jonathan D., and Shyam, Amit. Thu .  
"Atomic structures of interfacial solute gateways to θ' precipitates in Al-Cu alloys".  United States.  https://doi.org/10.1016/j.actamat.2021.116891.  https://www.osti.gov/servlets/purl/1807286.

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@article{osti_1807286,

  title        = {Atomic structures of interfacial solute gateways to θ' precipitates in Al-Cu alloys},

  author       = {Chisholm, Matthew and Shin, Dongwon and Duscher, Gerd and Oxley, Mark P. and Allard Jr, Lawrence F. and Poplawsky, Jonathan D. and Shyam, Amit},

  abstractNote = {Many materials employed in critical structural applications depend upon metastable strengthening precipitates that transform or dissolve at elevated temperatures. Herein, aberration-corrected scanning transmission electron microscopy and first-principles calculations are used to accurately determine the atomic structure of the highly mobile, semi-coherent precipitate interfaces that control this process in the classic θ' (Al2Cu) precipitate in the Al-Cu system. Semi-coherent {110} interfaces are found to be composed of an array of unexpected misfit dislocations that are arranged in two different structural units. Dislocations accommodate nearly all of the misfit between the Al matrix and strengthening phase. Cu is observed to segregate to the compressed edge of the dislocation cores at specific sites in this interface. First-principles calculations revealed the energetic landscape that facilitates these sites to become entry and exit gateways of Cu atoms in this semi-coherent interface. In conclusion, this investigation reveals critical features within semi-coherent interfaces that determine the thermal stability of precipitation-hardened alloys.},

  doi          = {10.1016/j.actamat.2021.116891},

  journal      = {Acta Materialia},

  number       = NA,

  volume       = 212,

  place        = {United States},

  year         = {Thu Apr 22 00:00:00 EDT 2021},

  month        = {Thu Apr 22 00:00:00 EDT 2021}

}

Copy to clipboard

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Title: Atomic structures of interfacial solute gateways to θ' precipitates in Al-Cu alloys

Abstract

Citation Formats

Elevated temperature microstructural stability in cast AlCuMnZr alloys through solute segregation journal, September 2019

An electron microscope investigation of the interfacial structure of semi-coherent precipitates journal, April 1968

Microstructural design of high-strength aluminum alloys journal, December 1998

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal, July 1996

The role of Si in determining the stability of the θ′ precipitate in Al-Cu-Mn-Zr alloys journal, May 2021

First-principles/Phase-field modeling of θ′ precipitation in Al-Cu alloys journal, November 2017

On the strengthening response of aluminum alloys containing shear-resistant plate-shaped precipitates journal, December 2008

A high-resolution transmission electron microscopy investigation of the δ'–θ' precipitate structure in an Al-2 wt% Li-1 wt% Cu alloy journal, June 1988

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal, October 1996

The magic thicknesses of θ′ precipitates in Sn-microalloyed Al–Cu journal, January 2012

Modelling the inelastic scattering of fast electrons journal, April 2015

Multiscale modeling of θ′ precipitation in Al–Cu binary alloys journal, June 2004

Microstructural evolution and deformation behavior of Al-Cu alloys: A Transmission X-ray Microscopy (TXM) and micropillar compression study journal, February 2018

Atomistic calculations of interfacial energies, nucleus shape and size of θ′ precipitates in Al–Cu alloys journal, October 2006

Interfacial stability of θ′/Al in Al-Cu alloys journal, January 2019

Strengthening of an Al–Cu–Sn alloy by deformation-resistant precipitate plates journal, August 2008

Ledge structure and the mechanism of θ′ precipitate growth in AlCu journal, November 1983

Multiscale modelling of the morphology and spatial distribution of θ′ precipitates in Al-Cu alloys journal, June 2017

Solute segregation at the Al/θ′-Al2Cu interface in Al-Cu alloys journal, December 2017

Structure of Age-Hardened Aluminium-Copper Alloys journal, September 1938

Influence of atom termination and stacking sequence on the θ′/Al interfaces from first-principles calculations journal, June 2016

Catalyst particle sizes from Rutherford scattered intensities journal, November 1989

Multiscale modelling of precipitation hardening in Al–Cu alloys: Dislocation dynamics simulations and experimental validation journal, April 2020

The elastic accommodation of semicoherent θ′ in Al4wt.%Cu alloy journal, July 1978

An analysis of the influence of the precipitate type on the mechanical behavior of Al - Cu alloys by means of micropillar compression tests journal, August 2020

The synergistic role of Mn and Zr/Ti in producing θ′/L12 co-precipitates in Al-Cu alloys journal, August 2020

The diffraction of X-rays by age-hardening aluminium copper alloys. journal, September 1938

Elevated temperature microstructural stability in cast AlCuMnZr alloys through solute segregation
journal, September 2019

An electron microscope investigation of the interfacial structure of semi-coherent precipitates
journal, April 1968

Microstructural design of high-strength aluminum alloys
journal, December 1998

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

The role of Si in determining the stability of the θ′ precipitate in Al-Cu-Mn-Zr alloys
journal, May 2021

First-principles/Phase-field modeling of θ′ precipitation in Al-Cu alloys
journal, November 2017

On the strengthening response of aluminum alloys containing shear-resistant plate-shaped precipitates
journal, December 2008

A high-resolution transmission electron microscopy investigation of the δ'–θ' precipitate structure in an Al-2 wt% Li-1 wt% Cu alloy
journal, June 1988

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

The magic thicknesses of θ′ precipitates in Sn-microalloyed Al–Cu
journal, January 2012

Modelling the inelastic scattering of fast electrons
journal, April 2015

Multiscale modeling of θ′ precipitation in Al–Cu binary alloys
journal, June 2004

Microstructural evolution and deformation behavior of Al-Cu alloys: A Transmission X-ray Microscopy (TXM) and micropillar compression study
journal, February 2018

Atomistic calculations of interfacial energies, nucleus shape and size of θ′ precipitates in Al–Cu alloys
journal, October 2006

Interfacial stability of θ′/Al in Al-Cu alloys
journal, January 2019

Strengthening of an Al–Cu–Sn alloy by deformation-resistant precipitate plates
journal, August 2008

Ledge structure and the mechanism of θ′ precipitate growth in AlCu
journal, November 1983

Multiscale modelling of the morphology and spatial distribution of θ′ precipitates in Al-Cu alloys
journal, June 2017

Solute segregation at the Al/θ′-Al2Cu interface in Al-Cu alloys
journal, December 2017

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journal, September 1938

Influence of atom termination and stacking sequence on the θ′/Al interfaces from first-principles calculations
journal, June 2016

Catalyst particle sizes from Rutherford scattered intensities
journal, November 1989

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