Mobility and coalescence of stacking fault tetrahedra in Cu

Martínez, Enrique; Uberuaga, Blas P.

doi:10.1038/srep09084

Title: Mobility and coalescence of stacking fault tetrahedra in Cu

Abstract

Stacking fault tetrahedra (SFTs) are ubiquitous defects in face-centered cubic metals. They are produced during cold work plastic deformation, quenching experiments or under irradiation. From a dislocation point of view, the SFTs are comprised of a set of stair-rod dislocations at the (110) edges of a tetrahedron bounding triangular stacking faults. These defects are extremely stable, increasing their energetic stability as they grow in size. At the sizes visible within transmission electron microscope they appear nearly immobile. Contrary to common belief, we show in this report, using a combination of molecular dynamics and temperature accelerated dynamics, how small SFTs can diffuse by temporarily disrupting their structure through activated thermal events. More over, we demonstrate that the diffusivity of defective SFTs is several orders of magnitude higher than perfect SFTs, and can be even higher than isolated vacancies. Finally, we show how SFTs can coalesce, forming a larger defect in what is a new mechanism for the growth of these omnipresent defects.

Authors:

Martínez, Enrique ^[1]; Uberuaga, Blas P. ^[1]

Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

Publication Date:: Fri Mar 13 00:00:00 EDT 2015

Research Org.:: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Org.:: USDOE National Nuclear Security Administration (NNSA)

OSTI Identifier:: 1190172

Grant/Contract Number:: AC52-06NA25396

Resource Type:: Accepted Manuscript

Journal Name:: Scientific Reports

Additional Journal Information:: Journal Volume: 5; Journal ID: ISSN 2045-2322

Publisher:: Nature Publishing Group

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats


                    Martínez, Enrique, and Uberuaga, Blas P. Mobility and coalescence of stacking fault tetrahedra in Cu.  United States: N. p., 2015. 
Web.  doi:10.1038/srep09084.

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                    Martínez, Enrique, & Uberuaga, Blas P. Mobility and coalescence of stacking fault tetrahedra in Cu.  United States.  https://doi.org/10.1038/srep09084

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                    Martínez, Enrique, and Uberuaga, Blas P. Fri .  
"Mobility and coalescence of stacking fault tetrahedra in Cu".  United States.  https://doi.org/10.1038/srep09084.  https://www.osti.gov/servlets/purl/1190172.

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@article{osti_1190172,

  title        = {Mobility and coalescence of stacking fault tetrahedra in Cu},

  author       = {Martínez, Enrique and Uberuaga, Blas P.},

  abstractNote = {Stacking fault tetrahedra (SFTs) are ubiquitous defects in face-centered cubic metals. They are produced during cold work plastic deformation, quenching experiments or under irradiation. From a dislocation point of view, the SFTs are comprised of a set of stair-rod dislocations at the (110) edges of a tetrahedron bounding triangular stacking faults. These defects are extremely stable, increasing their energetic stability as they grow in size. At the sizes visible within transmission electron microscope they appear nearly immobile. Contrary to common belief, we show in this report, using a combination of molecular dynamics and temperature accelerated dynamics, how small SFTs can diffuse by temporarily disrupting their structure through activated thermal events. More over, we demonstrate that the diffusivity of defective SFTs is several orders of magnitude higher than perfect SFTs, and can be even higher than isolated vacancies. Finally, we show how SFTs can coalesce, forming a larger defect in what is a new mechanism for the growth of these omnipresent defects.},

  doi          = {10.1038/srep09084},

  journal      = {Scientific Reports},

  number       = ,

  volume       = 5,

  place        = {United States},

  year         = {Fri Mar 13 00:00:00 EDT 2015},

  month        = {Fri Mar 13 00:00:00 EDT 2015}

}

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Similar Records

Title: Mobility and coalescence of stacking fault tetrahedra in Cu

Abstract

Citation Formats

Story of stacking fault tetrahedra journal, September 1997

Effect of grain boundary character on sink efficiency journal, October 2012

Temperature-accelerated dynamics for simulation of infrequent events journal, June 2000

Irradiation hardening in copper and nickel journal, October 1960

On the formation of stacking fault tetrahedra in irradiated austenitic stainless steels – A literature review journal, November 2013

A dislocation dynamics study of the strength of stacking fault tetrahedra. Part II: interactions with mixed and edge dislocations journal, February 2008

Irradiation-induced stacking fault tetrahedra in fcc metals journal, February 2005

Properties of single vacancies and of divacancies in copper journal, December 1977

Dynamic observation of dislocation-free deformation process in Al, Cu, and Ni thin foils journal, June 2003

A dislocation dynamics study of the strength of stacking fault tetrahedra. Part I: interactions with screw dislocations journal, February 2008

The formation of stacking fault tetrahedra in Al and CuIII. Growth by expanding ledges journal, January 2011

The formation of stacking fault tetrahedra in Al and CuII. SFT growth by successive absorption of vacancies generated by dipole annihilation journal, January 2011

Fast Parallel Algorithms for Short-Range Molecular Dynamics journal, March 1995

The formation of stacking fault tetrahedra in Al and CuI. Dipole annihilation and the nucleation stage journal, January 2011

Mechanisms of stacking fault tetrahedra destruction by gliding dislocations in quenched gold journal, February 2008

In situ study of defect migration kinetics in nanoporous Ag with enhanced radiation tolerance journal, January 2014

Dynamic observations and atomistic simulations of dislocation–defect interactions in rapidly quenched copper and gold journal, April 2006

Void swelling and defect cluster formation in reactor-irradiated copper journal, December 1989

Structural stability and lattice defects in copper: Ab initio , tight-binding, and embedded-atom calculations journal, May 2001

Vacancy defect mobilities and binding energies obtained from annealing studies journal, February 1978

Migration energy calculations for small vacancy clusters in copper journal, August 1988

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

I. Energy calculations for pure metals journal, January 1987

Computer simulation of primary damage creation in displacement cascades in copper. I. Defect creation and cluster statistics journal, July 2008

Defect microstructures in neutron-irradiated copper and stainless steel journal, July 1988

Micro/meso-scale computational study of dislocation-stacking-fault tetrahedron interactions in copper journal, December 2009

Frequency factors and isotope effects in solid state rate processes journal, January 1957

Atomic-scale details of dislocation–stacking fault tetrahedra interaction journal, July 2005

Direct observations of defects in quenched gold journal, January 1959

The Growth Mechanism of Stacking‐Fault Tetrahedra in Quenched gold journal, July 1963

Atomic-scale dynamic process of deformation-induced stacking fault tetrahedra in gold nanocrystals journal, August 2013

Theory of Dislocations (2nd ed.) journal, June 1983

Irradiation hardening in copper and nickel journal, October 1960

On the formation of stacking fault tetrahedra in irradiated austenitic stainless steels – A literature review journal, November 2013

In situ study of defect migration kinetics in nanoporous Ag with enhanced radiation tolerance journal, January 2014

Direct observations of defects in quenched gold journal, January 1959

Direct Transformation of Vacancy Voids to Stacking Fault Tetrahedra journal, September 2007

Atomistic Simulation of the Interaction Between Point Defects and Twin Boundary journal, July 2018

Direct Observation of Defect Range and Evolution in Ion-Irradiated Single Crystalline Ni and Ni Binary Alloys journal, February 2016

Dynamic formation and destruction process of stacking fault tetrahedra in single-crystal Ni during nanoscale cryo-rolling journal, July 2019

Direct Observation of Defect Range and Evolution in Ion-Irradiated Single Crystalline Ni and Ni Binary Alloys journal, February 2016

Story of stacking fault tetrahedra
journal, September 1997

Effect of grain boundary character on sink efficiency
journal, October 2012

Temperature-accelerated dynamics for simulation of infrequent events
journal, June 2000

Irradiation hardening in copper and nickel
journal, October 1960

On the formation of stacking fault tetrahedra in irradiated austenitic stainless steels – A literature review
journal, November 2013

A dislocation dynamics study of the strength of stacking fault tetrahedra. Part II: interactions with mixed and edge dislocations
journal, February 2008

Irradiation-induced stacking fault tetrahedra in fcc metals
journal, February 2005

Properties of single vacancies and of divacancies in copper
journal, December 1977

Dynamic observation of dislocation-free deformation process in Al, Cu, and Ni thin foils
journal, June 2003

A dislocation dynamics study of the strength of stacking fault tetrahedra. Part I: interactions with screw dislocations
journal, February 2008

The formation of stacking fault tetrahedra in Al and CuIII. Growth by expanding ledges
journal, January 2011

The formation of stacking fault tetrahedra in Al and CuII. SFT growth by successive absorption of vacancies generated by dipole annihilation
journal, January 2011

Fast Parallel Algorithms for Short-Range Molecular Dynamics
journal, March 1995

The formation of stacking fault tetrahedra in Al and CuI. Dipole annihilation and the nucleation stage
journal, January 2011

Mechanisms of stacking fault tetrahedra destruction by gliding dislocations in quenched gold
journal, February 2008

In situ study of defect migration kinetics in nanoporous Ag with enhanced radiation tolerance
journal, January 2014

Dynamic observations and atomistic simulations of dislocation–defect interactions in rapidly quenched copper and gold
journal, April 2006

Void swelling and defect cluster formation in reactor-irradiated copper
journal, December 1989

Structural stability and lattice defects in copper: Ab initio , tight-binding, and embedded-atom calculations
journal, May 2001

Vacancy defect mobilities and binding energies obtained from annealing studies
journal, February 1978

Migration energy calculations for small vacancy clusters in copper
journal, August 1988

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

I. Energy calculations for pure metals
journal, January 1987

Computer simulation of primary damage creation in displacement cascades in copper. I. Defect creation and cluster statistics
journal, July 2008

Defect microstructures in neutron-irradiated copper and stainless steel
journal, July 1988

Micro/meso-scale computational study of dislocation-stacking-fault tetrahedron interactions in copper
journal, December 2009

Frequency factors and isotope effects in solid state rate processes
journal, January 1957

Atomic-scale details of dislocation–stacking fault tetrahedra interaction
journal, July 2005

Direct observations of defects in quenched gold
journal, January 1959

The Growth Mechanism of Stacking‐Fault Tetrahedra in Quenched gold
journal, July 1963

Atomic-scale dynamic process of deformation-induced stacking fault tetrahedra in gold nanocrystals
journal, August 2013

Theory of Dislocations (2nd ed.)
journal, June 1983

Irradiation hardening in copper and nickel
journal, October 1960

On the formation of stacking fault tetrahedra in irradiated austenitic stainless steels – A literature review
journal, November 2013

In situ study of defect migration kinetics in nanoporous Ag with enhanced radiation tolerance
journal, January 2014

Direct observations of defects in quenched gold
journal, January 1959

Direct Transformation of Vacancy Voids to Stacking Fault Tetrahedra
journal, September 2007

Atomistic Simulation of the Interaction Between Point Defects and Twin Boundary
journal, July 2018

Direct Observation of Defect Range and Evolution in Ion-Irradiated Single Crystalline Ni and Ni Binary Alloys
journal, February 2016

Dynamic formation and destruction process of stacking fault tetrahedra in single-crystal Ni during nanoscale cryo-rolling
journal, July 2019

Direct Observation of Defect Range and Evolution in Ion-Irradiated Single Crystalline Ni and Ni Binary Alloys
journal, February 2016