Nanotwin assisted reversible formation of low angle grain boundary upon reciprocating shear load

Li, Shuang; Chen, Nanjun; Rohatgi, Aashish; Li, Yulan; Powell, Cynthia A.; Mathaudhu, Suveen; Devaraj, Arun; Hu, Shenyang; Wang, Chongmin

doi:10.1016/j.actamat.2022.117850

Title: Nanotwin assisted reversible formation of low angle grain boundary upon reciprocating shear load

Abstract

Severe plastic deformation of metals is known to lead to superior properties that cannot be achieved by any traditional metallurgic process. Origin of the superior properties is perceived to be closely associated with grain refinement, a fundamental process during the severe plastic deformation, which is essentially the formation of new grain boundaries. However, the atomistic mechanism of grain boundary formation remains largely obscure. Here, by using in-situ transmission electron microscopy and molecular dynamic simulation, we reveal, for the first time at atomic level, the shear-induced low-angle grain boundary (LAGB) formation processes in Au nanocrystal. In this work, we discover the LAGB formation is accomplished through inward propagation of nanotwins accompanied by dislocations gliding on the twin boundaries, a nanotwin-mediated dislocation slip mechanism, which shows reversible characteristic under reciprocating shear load and is affected by the nanocrystal microstructure and orientation. Our result unveils unprecedented atomistic insights on shear driven grain refinement towards nanostructure of superior properties.

Authors:

Li, Shuang ^[1];

^[2];

^[2]; Li, Yulan ^[2]; Powell, Cynthia A. ^[2]; Mathaudhu, Suveen ^[3];

^[2];

^[1]

Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Environmental Molecular Sciences Lab. (EMSL)
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Colorado School of Mines, Golden, CO (United States)

Publication Date:: Wed Mar 16 00:00:00 EDT 2022

Research Org.:: Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Environmental Molecular Sciences Lab. (EMSL)

Sponsoring Org.:: USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE Office of Science (SC), Biological and Environmental Research (BER)

OSTI Identifier:: 1922047

Alternate Identifier(s):: OSTI ID: 1960898

Report Number(s):: PNNL-SA-167698
Journal ID: ISSN 1359-6454

Grant/Contract Number:: AC05-76RL01830

Resource Type:: Accepted Manuscript

Journal Name:: Acta Materialia

Additional Journal Information:: Journal Volume: 230; Journal ID: ISSN 1359-6454

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE

Citation Formats


                    Li, Shuang, Chen, Nanjun, Rohatgi, Aashish, Li, Yulan, Powell, Cynthia A., Mathaudhu, Suveen, Devaraj, Arun, Hu, Shenyang, and Wang, Chongmin. Nanotwin assisted reversible formation of low angle grain boundary upon reciprocating shear load.  United States: N. p., 2022. 
Web.  doi:10.1016/j.actamat.2022.117850.

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                    Li, Shuang, Chen, Nanjun, Rohatgi, Aashish, Li, Yulan, Powell, Cynthia A., Mathaudhu, Suveen, Devaraj, Arun, Hu, Shenyang, & Wang, Chongmin. Nanotwin assisted reversible formation of low angle grain boundary upon reciprocating shear load.  United States.  https://doi.org/10.1016/j.actamat.2022.117850

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                    Li, Shuang, Chen, Nanjun, Rohatgi, Aashish, Li, Yulan, Powell, Cynthia A., Mathaudhu, Suveen, Devaraj, Arun, Hu, Shenyang, and Wang, Chongmin. Wed .  
"Nanotwin assisted reversible formation of low angle grain boundary upon reciprocating shear load".  United States.  https://doi.org/10.1016/j.actamat.2022.117850.  https://www.osti.gov/servlets/purl/1922047.

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@article{osti_1922047,

  title        = {Nanotwin assisted reversible formation of low angle grain boundary upon reciprocating shear load},

  author       = {Li, Shuang and Chen, Nanjun and Rohatgi, Aashish and Li, Yulan and Powell, Cynthia A. and Mathaudhu, Suveen and Devaraj, Arun and Hu, Shenyang and Wang, Chongmin},

  abstractNote = {Severe plastic deformation of metals is known to lead to superior properties that cannot be achieved by any traditional metallurgic process. Origin of the superior properties is perceived to be closely associated with grain refinement, a fundamental process during the severe plastic deformation, which is essentially the formation of new grain boundaries. However, the atomistic mechanism of grain boundary formation remains largely obscure. Here, by using in-situ transmission electron microscopy and molecular dynamic simulation, we reveal, for the first time at atomic level, the shear-induced low-angle grain boundary (LAGB) formation processes in Au nanocrystal. In this work, we discover the LAGB formation is accomplished through inward propagation of nanotwins accompanied by dislocations gliding on the twin boundaries, a nanotwin-mediated dislocation slip mechanism, which shows reversible characteristic under reciprocating shear load and is affected by the nanocrystal microstructure and orientation. Our result unveils unprecedented atomistic insights on shear driven grain refinement towards nanostructure of superior properties.},

  doi          = {10.1016/j.actamat.2022.117850},

  journal      = {Acta Materialia},

  number       = ,

  volume       = 230,

  place        = {United States},

  year         = {Wed Mar 16 00:00:00 EDT 2022},

  month        = {Wed Mar 16 00:00:00 EDT 2022}

}

Copy to clipboard

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Title: Nanotwin assisted reversible formation of low angle grain boundary upon reciprocating shear load

Abstract

Citation Formats

In situ atomic-scale observation of twinning-dominated deformation in nanoscale body-centred cubic tungsten journal, March 2015

Strengthening Materials by Engineering Coherent Internal Boundaries at the Nanoscale journal, April 2009

On fitting a gold embedded atom method potential using the force matching method journal, November 2005

Observation and measurement of grain rotation and plastic strain in nanostructured metal thin films journal, August 1995

In situ atomistic observation of disconnection-mediated grain boundary migration journal, January 2019

Nanoscale structural refinement via deformation twinning in face-centered cubic metals journal, June 2009

Development of Nanostructures in Metallic Materials with Low Stacking Fault Energies During Surface Mechanical Attrition Treatment (SMAT) journal, January 2003

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Grain boundary shear–migration coupling—I. In situ TEM straining experiments in Al polycrystals journal, April 2009

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

Metallic nanocrystals with low angle grain boundary for controllable plastic reversibility journal, June 2020

Strain-Induced Ultrahard and Ultrastable Nanolaminated Structure in Nickel journal, October 2013

Predicting twinning stress in fcc metals: Linking twin-energy pathways to twin nucleation journal, December 2007

Influence of grain size on deformation mechanisms: An extension to nanocrystalline materials journal, November 2005

Softening of nanocrystalline metals at very small grain sizes journal, February 1998

POLYCRYSTALLINE MATERIALS: Grain Boundaries and Dislocations journal, April 2002

Deformation Twinning in Nanocrystalline Aluminum journal, April 2003

Deformation mechanisms in nanotwinned metal nanopillars journal, July 2012

Interactions between lattice dislocation and Lomer-type low-angle grain boundary in nickel journal, October 2017

A fracture-resistant high-entropy alloy for cryogenic applications journal, September 2014

Reversible cyclic deformation mechanism of gold nanowires by twinning–detwinning transition evidenced from in situ TEM journal, January 2014

History-independent cyclic response of nanotwinned metals journal, October 2017

Grain boundary formation by remnant dislocations from the de-twinning of thin nano-twins journal, April 2015

Dislocation mechanisms and 3D twin architectures generate exceptional strength-ductility-toughness combination in CrCoNi medium-entropy alloy journal, February 2017

The Peierls Stress of Dislocations: An Analytic Formula journal, January 1997

Near-ideal theoretical strength in gold nanowires containing angstrom scale twins journal, April 2013

In situ TEM straining of single crystal Au films on polyimide: Change of deformation mechanisms at the nanoscale journal, September 2007

Robust structural identification via polyhedral template matching journal, May 2016

In situ atomic-scale observation of continuous and reversible lattice deformation beyond the elastic limit journal, September 2013

Bulk nanostructured materials from severe plastic deformation journal, March 2000

On the stacking fault energy related deformation mechanism of nanocrystalline Cu and Cu alloys: A first-principles and TEM study journal, March 2019

Grain Boundary-Mediated Plasticity in Nanocrystalline Nickel journal, July 2004

The stacking-fault energy of F.C.C. metals journal, July 1965

MATERIALS SCIENCE: Deformation of Nanostructures journal, March 2002

Structure identification methods for atomistic simulations of crystalline materials journal, May 2012

Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool journal, December 2009

Plastic strain-induced grain refinement at the nanometer scale in copper journal, November 2006

Prediction of Generation of High- and Low-Angle Grain Boundaries (HAGB and LAGB) During Severe Plastic Deformation journal, June 2020

Lattice Resistance to Dislocation Motion at the Nanoscale journal, September 2008

Graded Nanostructures Produced by Sliding and Exhibiting Universal Behavior journal, September 2001

Collective Effects in Grain Boundary Migration journal, May 2002

Mechanically Driven Grain Boundary Formation in Nickel Nanowires journal, November 2017

Influence of channel angle on the development of ultrafine grains in equal-channel angular pressing journal, March 1998

Discrete plasticity in sub-10-nm-sized gold crystals journal, December 2010

Exploring Deformation Mechanisms in Nanostructured Materials journal, September 2012

Quantitative measurement of displacement and strain fields from HREM micrographs journal, August 1998

Wear mechanism transition dominated by subsurface recrystallization structure in Cu–Al alloys journal, December 2014

Revealing extreme twin-boundary shear deformability in metallic nanocrystals journal, September 2021

Measuring surface dislocation nucleation in defect-scarce nanostructures journal, May 2015

In situ atomic-scale observation of twinning-dominated deformation in nanoscale body-centred cubic tungsten
journal, March 2015

Strengthening Materials by Engineering Coherent Internal Boundaries at the Nanoscale
journal, April 2009

On fitting a gold embedded atom method potential using the force matching method
journal, November 2005

Observation and measurement of grain rotation and plastic strain in nanostructured metal thin films
journal, August 1995

In situ atomistic observation of disconnection-mediated grain boundary migration
journal, January 2019

Nanoscale structural refinement via deformation twinning in face-centered cubic metals
journal, June 2009

Development of Nanostructures in Metallic Materials with Low Stacking Fault Energies During Surface Mechanical Attrition Treatment (SMAT)
journal, January 2003

Extreme grain refinement by severe plastic deformation: A wealth of challenging science
journal, February 2013

Grain boundary shear–migration coupling—I. In situ TEM straining experiments in Al polycrystals
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Fast Parallel Algorithms for Short-Range Molecular Dynamics
journal, March 1995

Metallic nanocrystals with low angle grain boundary for controllable plastic reversibility
journal, June 2020

Strain-Induced Ultrahard and Ultrastable Nanolaminated Structure in Nickel
journal, October 2013

Predicting twinning stress in fcc metals: Linking twin-energy pathways to twin nucleation
journal, December 2007

Influence of grain size on deformation mechanisms: An extension to nanocrystalline materials
journal, November 2005

Softening of nanocrystalline metals at very small grain sizes
journal, February 1998

POLYCRYSTALLINE MATERIALS: Grain Boundaries and Dislocations
journal, April 2002

Deformation Twinning in Nanocrystalline Aluminum
journal, April 2003

Deformation mechanisms in nanotwinned metal nanopillars
journal, July 2012

Interactions between lattice dislocation and Lomer-type low-angle grain boundary in nickel
journal, October 2017

A fracture-resistant high-entropy alloy for cryogenic applications
journal, September 2014

Reversible cyclic deformation mechanism of gold nanowires by twinning–detwinning transition evidenced from in situ TEM
journal, January 2014

History-independent cyclic response of nanotwinned metals
journal, October 2017

Grain boundary formation by remnant dislocations from the de-twinning of thin nano-twins
journal, April 2015

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The Peierls Stress of Dislocations: An Analytic Formula
journal, January 1997

Near-ideal theoretical strength in gold nanowires containing angstrom scale twins
journal, April 2013

In situ TEM straining of single crystal Au films on polyimide: Change of deformation mechanisms at the nanoscale
journal, September 2007

Robust structural identification via polyhedral template matching
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In situ atomic-scale observation of continuous and reversible lattice deformation beyond the elastic limit
journal, September 2013

Bulk nanostructured materials from severe plastic deformation
journal, March 2000

On the stacking fault energy related deformation mechanism of nanocrystalline Cu and Cu alloys: A first-principles and TEM study
journal, March 2019

Grain Boundary-Mediated Plasticity in Nanocrystalline Nickel
journal, July 2004

The stacking-fault energy of F.C.C. metals
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MATERIALS SCIENCE: Deformation of Nanostructures
journal, March 2002

Structure identification methods for atomistic simulations of crystalline materials
journal, May 2012

Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool
journal, December 2009

Plastic strain-induced grain refinement at the nanometer scale in copper
journal, November 2006

Prediction of Generation of High- and Low-Angle Grain Boundaries (HAGB and LAGB) During Severe Plastic Deformation
journal, June 2020

Lattice Resistance to Dislocation Motion at the Nanoscale
journal, September 2008

Graded Nanostructures Produced by Sliding and Exhibiting Universal Behavior
journal, September 2001

Collective Effects in Grain Boundary Migration
journal, May 2002

Mechanically Driven Grain Boundary Formation in Nickel Nanowires
journal, November 2017

Influence of channel angle on the development of ultrafine grains in equal-channel angular pressing
journal, March 1998

Discrete plasticity in sub-10-nm-sized gold crystals
journal, December 2010

Exploring Deformation Mechanisms in Nanostructured Materials
journal, September 2012

Quantitative measurement of displacement and strain fields from HREM micrographs
journal, August 1998

Wear mechanism transition dominated by subsurface recrystallization structure in Cu–Al alloys
journal, December 2014

Revealing extreme twin-boundary shear deformability in metallic nanocrystals
journal, September 2021

Measuring surface dislocation nucleation in defect-scarce nanostructures
journal, May 2015