Orientation dependent spall strength of tantalum single crystals

Hahn, Eric Nicholas; Gray, George Thompson III; Germann, Timothy Clark; Fensin, Saryu Jindal

doi:10.1016/j.actamat.2018.07.073

Title: Orientation dependent spall strength of tantalum single crystals

Abstract

We report that it is generally recognized that single crystals exhibit orientation-dependent elastic and plastic responses. However, it is less known how the dynamic tensile, or spall, strength depends on crystalline orientation, especially for BCC materials. It has been previously shown that the dynamic tensile strength of FCC materials is highly dependent on their plastic response under compression, with a direct correlation between plastic deformation and spall strength. In BCC materials like Ta, where the primary deformation mechanism at high strain rates is a combination of slip and twinning, the quantitative dependence of spall strength on these deformation mechanisms is less understood. To fill this gap in our knowledge, a series of non-equilibrium molecular dynamics simulations are completed for six tantalum single crystal orientations: <001>, <011>, <111>, <013>, <112>, <149>, to explore the role of directional anisotropy on ductile spallation. Our results show that due to the role of non-Schmid and release effects in BCC Ta, the evolution of plasticity follows a complex trajectory through shock compression, release, and tension. Orientations that contain residual twinning deformation have a reduced spall strength proportional to the amount of twinning present. Lastly, twins and their intersections function as regions of increased stress localizationmore »« less

Authors:

^[1];

^[1]

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

Publication Date:: Fri Aug 03 00:00:00 EDT 2018

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

Sponsoring Org.:: USDOE National Nuclear Security Administration (NNSA); USDOE Laboratory Directed Research and Development (LDRD) Program

OSTI Identifier:: 1467282

Alternate Identifier(s):: OSTI ID: 1703855

Report Number(s):: LA-UR-18-22656
Journal ID: ISSN 1359-6454

Grant/Contract Number:: AC52-06NA25396

Resource Type:: Accepted Manuscript

Journal Name:: Acta Materialia

Additional Journal Information:: Journal Volume: 159; Journal Issue: C; Journal ID: ISSN 1359-6454

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; tantalum, shock

Citation Formats


                    Hahn, Eric Nicholas, Gray, George Thompson III, Germann, Timothy Clark, and Fensin, Saryu Jindal. Orientation dependent spall strength of tantalum single crystals.  United States: N. p., 2018. 
Web.  doi:10.1016/j.actamat.2018.07.073.

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                    Hahn, Eric Nicholas, Gray, George Thompson III, Germann, Timothy Clark, & Fensin, Saryu Jindal. Orientation dependent spall strength of tantalum single crystals.  United States.  https://doi.org/10.1016/j.actamat.2018.07.073

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                    Hahn, Eric Nicholas, Gray, George Thompson III, Germann, Timothy Clark, and Fensin, Saryu Jindal. Fri .  
"Orientation dependent spall strength of tantalum single crystals".  United States.  https://doi.org/10.1016/j.actamat.2018.07.073.  https://www.osti.gov/servlets/purl/1467282.

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@article{osti_1467282,

  title        = {Orientation dependent spall strength of tantalum single crystals},

  author       = {Hahn, Eric Nicholas and Gray, George Thompson III and Germann, Timothy Clark and Fensin, Saryu Jindal},

  abstractNote = {We report that it is generally recognized that single crystals exhibit orientation-dependent elastic and plastic responses. However, it is less known how the dynamic tensile, or spall, strength depends on crystalline orientation, especially for BCC materials. It has been previously shown that the dynamic tensile strength of FCC materials is highly dependent on their plastic response under compression, with a direct correlation between plastic deformation and spall strength. In BCC materials like Ta, where the primary deformation mechanism at high strain rates is a combination of slip and twinning, the quantitative dependence of spall strength on these deformation mechanisms is less understood. To fill this gap in our knowledge, a series of non-equilibrium molecular dynamics simulations are completed for six tantalum single crystal orientations: <001>, <011>, <111>, <013>, <112>, <149>, to explore the role of directional anisotropy on ductile spallation. Our results show that due to the role of non-Schmid and release effects in BCC Ta, the evolution of plasticity follows a complex trajectory through shock compression, release, and tension. Orientations that contain residual twinning deformation have a reduced spall strength proportional to the amount of twinning present. Lastly, twins and their intersections function as regions of increased stress localization within the system due to compatibility requirements and their interactions with dislocations.},

  doi          = {10.1016/j.actamat.2018.07.073},

  journal      = {Acta Materialia},

  number       = C,

  volume       = 159,

  place        = {United States},

  year         = {Fri Aug 03 00:00:00 EDT 2018},

  month        = {Fri Aug 03 00:00:00 EDT 2018}

}

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Works referencing / citing this record:

Understanding and predicting damage and failure at grain boundaries in BCC Ta
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Unraveling the Role of Interfaces on the Spall Failure of Cu/Ta Multilayered Systems
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Influence of defects on the shock Hugoniot of tantalum
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DOI: 10.1038/s41598-019-57048-9

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Title: Orientation dependent spall strength of tantalum single crystals

Abstract

Citation Formats

From microjoules to megajoules and kilobars to gigabars: Probing matter at extreme states of deformation journal, September 2015

Femtosecond Visualization of Lattice Dynamics in Shock-Compressed Matter journal, October 2013

Deformation and failure in extreme regimes by high-energy pulsed lasers: A review journal, March 2017

Dynamic fracture (spalling) of metals journal, January 1983

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Shock-induced spall in solid and liquid Cu at extreme strain rates journal, July 2009

Effect of grain boundary structure on plastic deformation during shock compression using molecular dynamics journal, December 2012

Dislocation evolution and peak spall strengths in single crystal and nanocrystalline Cu journal, January 2016

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Effect of microstructural length scales on spall behavior of copper journal, September 2004

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Shock-induced deformation twinning and omega transformation in tantalum and tantalum–tungsten alloys journal, December 2000

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Simulations of X-ray diffraction of shock-compressed single-crystal tantalum with synchrotron undulator sources journal, April 2018

Femtosecond X-Ray Diffraction Studies of the Reversal of the Microstructural Effects of Plastic Deformation during Shock Release of Tantalum journal, June 2018

Shock-induced plasticity in tantalum single crystals: Interatomic potentials and large-scale molecular-dynamics simulations journal, October 2013

The defect evolution in shock loaded tantalum single crystals journal, April 2018

Influence of grain boundary properties on spall strength: Grain boundary energy and excess volume journal, October 2012

Unraveling the Anomalous Grain Size Dependence of Cavitation journal, November 2016

Phase Transformation in Tantalum under Extreme Laser Deformation journal, October 2015

Influence of phase transition on shock-induced spallation in nanocrystalline iron journal, November 2015

Anisotropy and Strain Localization in Dynamic Impact Experiments of Tantalum Single Crystals journal, April 2018

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

Ultrahigh Strength in Nanocrystalline Materials Under Shock Loading journal, September 2005

Atomistic computer simulations of shock waves journal, October 1995

Dynamic failure of solids journal, March 1987

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

Robust structural identification via polyhedral template matching journal, May 2016

Atomistic simulations of shock induced microstructural evolution and spallation in single crystal nickel journal, February 2007

Symmetric tilt boundaries in body-centered cubic tantalum journal, April 2016

Competing twinning mechanisms in body-centered cubic metallic nanowires journal, March 2016

Intragranular void formation in shock-spalled tantalum: Mechanisms and governing factors journal, April 2018

Does dislocation density have a natural limit? journal, January 1977

Inverse Hall–Petch relationship in nanocrystalline tantalum journal, September 2013

Deviations and polarity of [100] dislocations in bcc metals journal, June 2010

Behaviour of metals at ultra-high strain rate by using femtosecond laser shockwaves journal, January 2012

Experimental and numerical study of the tantalum single crystal spallation journal, September 2012

The behavior of tantalum under ultrashort loads induced by femtosecond laser journal, November 2015

Effect of loading direction on grain boundary failure under shock loading journal, February 2014

A primer on selecting grain boundary sets for comparison of interfacial fracture properties in molecular dynamics simulations journal, August 2017

Understanding and predicting damage and failure at grain boundaries in BCC Ta journal, October 2019

Unraveling the Role of Interfaces on the Spall Failure of Cu/Ta Multilayered Systems journal, January 2020

Influence of defects on the shock Hugoniot of tantalum journal, June 2019

Computational Analysis Methods in Atomistic Modeling of Crystals journal, December 2013

Unraveling the Role of Interfaces on the Spall Failure of Cu/Ta Multilayered Systems journal, January 2020

From microjoules to megajoules and kilobars to gigabars: Probing matter at extreme states of deformation
journal, September 2015

Femtosecond Visualization of Lattice Dynamics in Shock-Compressed Matter
journal, October 2013

Deformation and failure in extreme regimes by high-energy pulsed lasers: A review
journal, March 2017

Dynamic fracture (spalling) of metals
journal, January 1983

Orientation Dependence in Molecular Dynamics Simulations of Shocked Single Crystals
journal, June 2000

Shock-induced spall in solid and liquid Cu at extreme strain rates
journal, July 2009

Effect of grain boundary structure on plastic deformation during shock compression using molecular dynamics
journal, December 2012

Dislocation evolution and peak spall strengths in single crystal and nanocrystalline Cu
journal, January 2016

Spall response of single-crystal copper
journal, February 2018

Effect of microstructural length scales on spall behavior of copper
journal, September 2004

Effect of pulse duration and strain rate on incipient spall fracture in copper
journal, November 1999

Spall response of 1100-O aluminum
journal, June 2012

Laser compression of monocrystalline tantalum
journal, November 2012

Simulation of tantalum nanocrystals under shock-wave loading: Dislocations and twinning
conference, January 2017

Analysis of deformation twinning in tantalum single crystals under shock loading conditions
journal, February 2013

Interplay of dislocation slip and deformation twinning in tantalum at high strain rates
journal, November 2013

Anomalous plasticity of body-centered-cubic crystals with non-Schmid effect
journal, May 2018

Plastic deformation of tantalum single crystals
journal, July 1967

Slip planes in bcc transition metals
journal, June 2013

Orientation-dependent response of defective Tantalum single crystals
journal, July 2014

Probing the limits of metal plasticity with molecular dynamics simulations
journal, September 2017

Deformation twinning in explosively-driven tantalum
journal, October 2012

In situ X-ray diffraction measurement of shock-wave-driven twinning and lattice dynamics
journal, October 2017

Effect of strain rate and dislocation density on the twinning behavior in tantalum
journal, April 2016

Shock-induced deformation twinning and omega transformation in tantalum and tantalum–tungsten alloys
journal, December 2000

Modeling release behavior in shocked tantalum
conference, January 1996

The onset of twinning in metals: a constitutive description
journal, November 2001

Plastic Anisotropy of Tantalum, Niobium, and Molybdenum
journal, February 1967

Micromechanics of spall and damage in tantalum
journal, June 1996

Resistance to dynamic deformation and fracture of tantalum with different grain and defect structures
journal, April 2012

On the ultimate tensile strength of tantalum
journal, March 2017

Non-equilibrium molecular dynamics simulations of spall in single crystal tantalum
conference, January 2017

Molecular dynamics simulations of void coalescence in monocrystalline copper under loading and unloading
journal, April 2016

Simulations of X-ray diffraction of shock-compressed single-crystal tantalum with synchrotron undulator sources
journal, April 2018

Femtosecond X-Ray Diffraction Studies of the Reversal of the Microstructural Effects of Plastic Deformation during Shock Release of Tantalum
journal, June 2018

Shock-induced plasticity in tantalum single crystals: Interatomic potentials and large-scale molecular-dynamics simulations
journal, October 2013

The defect evolution in shock loaded tantalum single crystals
journal, April 2018

Influence of grain boundary properties on spall strength: Grain boundary energy and excess volume
journal, October 2012

Unraveling the Anomalous Grain Size Dependence of Cavitation
journal, November 2016

Phase Transformation in Tantalum under Extreme Laser Deformation
journal, October 2015

Influence of phase transition on shock-induced spallation in nanocrystalline iron
journal, November 2015

Anisotropy and Strain Localization in Dynamic Impact Experiments of Tantalum Single Crystals
journal, April 2018

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

Ultrahigh Strength in Nanocrystalline Materials Under Shock Loading
journal, September 2005

Atomistic computer simulations of shock waves
journal, October 1995

Dynamic failure of solids
journal, March 1987

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

Robust structural identification via polyhedral template matching
journal, May 2016

Atomistic simulations of shock induced microstructural evolution and spallation in single crystal nickel
journal, February 2007

Symmetric tilt boundaries in body-centered cubic tantalum
journal, April 2016

Competing twinning mechanisms in body-centered cubic metallic nanowires
journal, March 2016

Intragranular void formation in shock-spalled tantalum: Mechanisms and governing factors
journal, April 2018

Does dislocation density have a natural limit?
journal, January 1977

Inverse Hall–Petch relationship in nanocrystalline tantalum
journal, September 2013

Deviations and polarity of [100] dislocations in bcc metals
journal, June 2010

Behaviour of metals at ultra-high strain rate by using femtosecond laser shockwaves
journal, January 2012

Experimental and numerical study of the tantalum single crystal spallation
journal, September 2012

The behavior of tantalum under ultrashort loads induced by femtosecond laser
journal, November 2015

Effect of loading direction on grain boundary failure under shock loading
journal, February 2014

A primer on selecting grain boundary sets for comparison of interfacial fracture properties in molecular dynamics simulations
journal, August 2017

Understanding and predicting damage and failure at grain boundaries in BCC Ta
journal, October 2019

Unraveling the Role of Interfaces on the Spall Failure of Cu/Ta Multilayered Systems
journal, January 2020

Influence of defects on the shock Hugoniot of tantalum
journal, June 2019

Computational Analysis Methods in Atomistic Modeling of Crystals
journal, December 2013

Unraveling the Role of Interfaces on the Spall Failure of Cu/Ta Multilayered Systems
journal, January 2020