Transformation of shock-compressed graphite to hexagonal diamond in nanoseconds

Turneaure, Stefan J.; Sharma, Surinder M.; Volz, Travis J.; Winey, J. M.; Gupta, Yogendra M.

doi:10.1126/sciadv.aao3561

Title: Transformation of shock-compressed graphite to hexagonal diamond in nanoseconds

Abstract

The graphite-to-diamond transformation under shock compression has been of broad scientific interest since 1961. The formation of hexagonal diamond (HD) is of particular interest because it is expected to be harder than cubic diamond and due to its use in terrestrial sciences as a marker at meteorite impact sites. However, the formation of diamond having a fully hexagonal structure continues to be questioned and remains unresolved. Using real-time (nanosecond), in situ x-ray diffraction measurements, we show unequivocally that highly oriented pyrolytic graphite, shock-compressed along the c axis to 50 GPa, transforms to highly oriented elastically strained HD with the (100)HD plane parallel to the graphite basal plane. These findings contradict recent molecular dynamics simulation results for the shock-induced graphite-to-diamond transformation and provide a benchmark for future theoretical simulations. Additionally, our results show that an earlier report of HD forming only above 170 GPa for shocked pyrolytic graphite may lead to incorrect interpretations of meteorite impact events.

Authors:

^[1];

^[1]; Volz, Travis J. ^[2];

^[1];

^[2]

Washington State Univ., Pullman, WA (United States). Inst. for Shock Physics
Washington State Univ., Pullman, WA (United States). Inst. for Shock Physics; Washington State Univ., Pullman, WA (United States). Dept. of Physics and Astronomy

Publication Date:: Fri Oct 27 00:00:00 EDT 2017

Research Org.:: Washington State Univ., Pullman, WA (United States). Inst. for Shock Physics

Sponsoring Org.:: USDOE National Nuclear Security Administration (NNSA), Office of Defense Programs (DP)

OSTI Identifier:: 1410678

Alternate Identifier(s):: OSTI ID: 1410676

Grant/Contract Number:: NA0002442; NA0002007; AC02-06CH11357

Resource Type:: Accepted Manuscript

Journal Name:: Science Advances

Additional Journal Information:: Journal Volume: 3; Journal Issue: 10; Journal ID: ISSN 2375-2548

Publisher:: AAAS

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE

Citation Formats


                    Turneaure, Stefan J., Sharma, Surinder M., Volz, Travis J., Winey, J. M., and Gupta, Yogendra M. Transformation of shock-compressed graphite to hexagonal diamond in nanoseconds.  United States: N. p., 2017. 
Web.  doi:10.1126/sciadv.aao3561.

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                    Turneaure, Stefan J., Sharma, Surinder M., Volz, Travis J., Winey, J. M., & Gupta, Yogendra M. Transformation of shock-compressed graphite to hexagonal diamond in nanoseconds.  United States.  https://doi.org/10.1126/sciadv.aao3561

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                    Turneaure, Stefan J., Sharma, Surinder M., Volz, Travis J., Winey, J. M., and Gupta, Yogendra M. Fri .  
"Transformation of shock-compressed graphite to hexagonal diamond in nanoseconds".  United States.  https://doi.org/10.1126/sciadv.aao3561.  https://www.osti.gov/servlets/purl/1410678.

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@article{osti_1410678,

  title        = {Transformation of shock-compressed graphite to hexagonal diamond in nanoseconds},

  author       = {Turneaure, Stefan J. and Sharma, Surinder M. and Volz, Travis J. and Winey, J. M. and Gupta, Yogendra M.},

  abstractNote = {The graphite-to-diamond transformation under shock compression has been of broad scientific interest since 1961. The formation of hexagonal diamond (HD) is of particular interest because it is expected to be harder than cubic diamond and due to its use in terrestrial sciences as a marker at meteorite impact sites. However, the formation of diamond having a fully hexagonal structure continues to be questioned and remains unresolved. Using real-time (nanosecond), in situ x-ray diffraction measurements, we show unequivocally that highly oriented pyrolytic graphite, shock-compressed along the c axis to 50 GPa, transforms to highly oriented elastically strained HD with the (100)HD plane parallel to the graphite basal plane. These findings contradict recent molecular dynamics simulation results for the shock-induced graphite-to-diamond transformation and provide a benchmark for future theoretical simulations. Additionally, our results show that an earlier report of HD forming only above 170 GPa for shocked pyrolytic graphite may lead to incorrect interpretations of meteorite impact events.},

  doi          = {10.1126/sciadv.aao3561},

  journal      = {Science Advances},

  number       = 10,

  volume       = 3,

  place        = {United States},

  year         = {Fri Oct 27 00:00:00 EDT 2017},

  month        = {Fri Oct 27 00:00:00 EDT 2017}

}

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Detonation-induced transformation of graphite to hexagonal diamond

Journal Article Stavrou, Elissaios ; Bagge-Hansen, Michael ; Hammons, Joshua A. ; ... - Physical Review B

In this work, we explore the structural evolution of highly oriented pyrolytic graphite (HOPG) under detonation-induced shock conditions using in situ synchrotron x-ray diffraction in the ns timescale. We observe the formation of hexagonal diamond (lonsdaleite) at pressures above 50 GPa, in qualitative agreement with recent gas gun experiments. First-principles density functional calculations reveal that under uniaxial compression, the energy barrier for the transition toward hexagonal diamond is lower than that for cubic diamond. Finally, no indication of cubic diamond formation was observed up to >70 GPa.
https://doi.org/10.1103/physrevb.102.104116

Full Text Available
Highly ordered graphite (HOPG) to hexagonal diamond (lonsdaleite) phase transition observed on picosecond time scales using ultrafast x-ray diffraction

Journal Article Armstrong, Michael R. ; Radousky, Harry B. ; Austin, Ryan A. ; ... - Journal of Applied Physics

Here, the response of rapidly compressed highly oriented pyrolytic graphite (HOPG) normal to its basal plane was investigated at a pressure of ~80 GPa. Ultrafast x-ray diffraction using ~100 fs pulses at the Materials Under Extreme Conditions sector of the Linac Coherent Light Source was used to probe the changes in crystal structure resulting from picosecond timescale compression at laser drive energies ranging from 2.5 to 250 mJ. A phase transformation from HOPG to a highly textured hexagonal diamond structure is observed at the highest energy, followed by relaxation to a still highly oriented, but distorted graphite structure following release.more »« less
https://doi.org/10.1063/5.0085297

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Title: Transformation of shock-compressed graphite to hexagonal diamond in nanoseconds

Abstract

Citation Formats

An Antarctic iron meteorite contains preterrestrial impact-produced diamond and lonsdaleite journal, June 1981

Pressure-Induced Transformation Path of Graphite to Diamond journal, May 1995

First-principles studies of diamond polytypes journal, March 2008

Superhard Monoclinic Polymorph of Carbon journal, April 2009

Laser interferometer for measuring high velocities of any reflecting surface journal, November 1972

Elastic Moduli of Diamond as a Function of Pressure and Temperature journal, July 1972

Direct transformation of cubic diamond to hexagonal diamond journal, July 2002

Compact system for high-speed velocimetry using heterodyne techniques journal, August 2006

First-principle study of structural and mechanical properties of hexagonal polytypes of diamond journal, March 2015

Diamond’s elastic stiffnesses from 322 K to 10 K journal, September 2008

Nanosecond formation of diamond and lonsdaleite by shock compression of graphite journal, March 2016

Molecular Dynamics Simulations of Shock Compressed Graphite journal, June 2013

Hexagonal Diamond—A New Form of Carbon journal, May 1967

Nanometre-size diamonds in the Cretaceous/Tertiary boundary clay of Alberta journal, August 1991

Hexagonal Diamonds in Meteorites: Implications journal, February 1967

Formation of Diamond by Explosive Shock journal, June 1961

Shock-compressed graphite to diamond transformation on nanosecond time scales journal, May 2013

Extent of stacking disorder in diamond journal, October 2015

Graphite to Diamond: Origin for Kinetics Selectivity journal, February 2017

Shock compression of pyrolytic graphite to 18 GPa: Role of orientational order journal, September 2013

Hugoniot equation of state of twelve rocks journal, October 1967

Modified Phases of Diamond Formed Under Shock Compression and Rapid Quenching journal, August 1991

Diamond’s third-order elastic constants: ab initio calculations and experimental investigation journal, November 2016

Shock-synthesized hexagonal diamonds in Younger Dryas boundary sediments journal, July 2009

Ultrafast transformation of graphite to diamond: An ab initio study of graphite under shock compression journal, May 2008

Lonsdaleite formation in process of reverse phase transition diamond–graphite journal, November 2011

Optical phonons and elasticity of diamond at megabar stresses journal, October 1986

Light-Transparent Phase Formed by Room-Temperature Compression of Graphite journal, June 1991

Lonsdaleite – A material stronger and stiffer than diamond journal, August 2011

Transformation of graphite to lonsdaleite and diamond in the Goalpara ureilite directly observed by TEM journal, March 2013

Constant-pressure first-principles studies on the transition states of the graphite-diamond transformation journal, December 1996

New evidence of meteoritic origin of the Tunguska cosmic body journal, August 2013

First-principles study on the lonsdaleite phases of C, Si and Ge journal, March 2003

Detailed Structures of Hexagonal Diamond (lonsdaleite) and Wurtzite-type BN journal, April 2003

Structural characterization of natural diamond shocked to 60 GPa; implications for Earth and planetary systems journal, November 2016

Diffusionless Nucleation of Lonsdaleite and Diamond in Hexagonal Graphite under Static Compression journal, January 2004

Man-Made Diamonds journal, July 1955

Mechanism for direct graphite-to-diamond phase transition journal, August 2014

Lonsdaleite is faulted and twinned cubic diamond and does not exist as a discrete material journal, November 2014

Bonding Changes in Compressed Superhard Graphite journal, October 2003

Finite-element modeling of diamond deformation at multimegabar pressures journal, February 1999

Shock-induced martensitic phase transformation of oriented graphite to diamond journal, January 1991

Temperature dependent elastic constants for crystals with arbitrary symmetry: Combined first principles and continuum elasticity theory journal, April 2012

Body-Centered Tetragonal C 4 : A Viable s p 3 Carbon Allotrope journal, March 2010

Crystal structure of graphite under room-temperature compression and decompression journal, July 2012

Shock‐induced martensitic transformation of highly oriented graphite to diamond journal, May 1992

New High-Pressure Phases of Carbon journal, May 1991

Nanocrystalline hexagonal diamond formed from glassy carbon journal, November 2016

High-pressure in situ x-ray-diffraction study of the phase transformation from graphite to hexagonal diamond at room temperature journal, September 1992

Lonsdaleite, a Hexagonal Polymorph of Diamond journal, May 1967

Direct Conversion of Graphite to Diamond in Static Pressure Apparatus journal, February 1963

Possible structural models of n ‐diamond: A modified form of diamond journal, July 1992

Nucleation mechanism for the direct graphite-to-diamond phase transition journal, July 2011

Two-dimensional detector software: From real detector to idealised image or two-theta scan journal, January 1996

Formation of Diamond by Explosive Shock journal, July 1961

Direct Conversion of Graphite to Diamond in Static Pressure Apparatus journal, September 1962

Ultrafast transformation of graphite to diamond: An ab initio study of graphite under shock compression text, January 2008

Temperature dependent elastic constants for crystals with arbitrary symmetry: combined first principles and continuum elasticity theory text, January 2012

New evidence of meteoritic origin of the Tunguska cosmic body journal, August 2013

Graphite to Diamond: Origin for Kinetics Selectivity journal, February 2017

Nanometre-size diamonds in the Cretaceous/Tertiary boundary clay of Alberta journal, August 1991

Lonsdaleite is faulted and twinned cubic diamond and does not exist as a discrete material journal, November 2014

Crystal structure of graphite under room-temperature compression and decompression journal, July 2012

Nanocrystalline hexagonal diamond formed from glassy carbon journal, November 2016

Laser interferometer for measuring high velocities of any reflecting surface journal, November 1972

Ultrafast transformation of graphite to diamond: An ab initio study of graphite under shock compression journal, May 2008

First-principles pseudopotential calculations of the elastic properties of diamond, Si, and Ge journal, October 1990

Anharmonic Keating model for group-IV semiconductors with application to the lattice dynamics in alloys of Si, Ge, and C journal, October 1995

Low-Temperature Phase Transformation from Graphite to s p 3 Orthorhombic Carbon journal, February 2011

Bonding Changes in Compressed Superhard Graphite journal, October 2003

Formation of Diamond by Explosive Shock journal, June 1961

Modified Phases of Diamond Formed Under Shock Compression and Rapid Quenching journal, August 1991

Natural monocrystalline lonsdaleite journal, November 2011

Transformation of graphite to lonsdaleite and diamond in the Goalpara ureilite directly observed by TEM journal, March 2013

Predicting superhard materials via a machine learning informed evolutionary structure search journal, September 2019

Quantifying hexagonal stacking in diamond journal, July 2019

Laboratory setup for rapid in situ powder X-ray diffraction elucidating Ni particle formation in supercritical methanol journal, July 2019

An Antarctic iron meteorite contains preterrestrial impact-produced diamond and lonsdaleite
journal, June 1981

Pressure-Induced Transformation Path of Graphite to Diamond
journal, May 1995

First-principles studies of diamond polytypes
journal, March 2008

Superhard Monoclinic Polymorph of Carbon
journal, April 2009

Laser interferometer for measuring high velocities of any reflecting surface
journal, November 1972

Elastic Moduli of Diamond as a Function of Pressure and Temperature
journal, July 1972

Direct transformation of cubic diamond to hexagonal diamond
journal, July 2002

Compact system for high-speed velocimetry using heterodyne techniques
journal, August 2006

First-principle study of structural and mechanical properties of hexagonal polytypes of diamond
journal, March 2015

Diamond’s elastic stiffnesses from 322 K to 10 K
journal, September 2008

Nanosecond formation of diamond and lonsdaleite by shock compression of graphite
journal, March 2016

Molecular Dynamics Simulations of Shock Compressed Graphite
journal, June 2013

Hexagonal Diamond—A New Form of Carbon
journal, May 1967

Nanometre-size diamonds in the Cretaceous/Tertiary boundary clay of Alberta
journal, August 1991

Hexagonal Diamonds in Meteorites: Implications
journal, February 1967

Formation of Diamond by Explosive Shock
journal, June 1961

Shock-compressed graphite to diamond transformation on nanosecond time scales
journal, May 2013

Extent of stacking disorder in diamond
journal, October 2015

Graphite to Diamond: Origin for Kinetics Selectivity
journal, February 2017

Shock compression of pyrolytic graphite to 18 GPa: Role of orientational order
journal, September 2013

Hugoniot equation of state of twelve rocks
journal, October 1967

Modified Phases of Diamond Formed Under Shock Compression and Rapid Quenching
journal, August 1991

Diamond’s third-order elastic constants: ab initio calculations and experimental investigation
journal, November 2016

Shock-synthesized hexagonal diamonds in Younger Dryas boundary sediments
journal, July 2009

Ultrafast transformation of graphite to diamond: An ab initio study of graphite under shock compression
journal, May 2008

Lonsdaleite formation in process of reverse phase transition diamond–graphite
journal, November 2011

Optical phonons and elasticity of diamond at megabar stresses
journal, October 1986

Light-Transparent Phase Formed by Room-Temperature Compression of Graphite
journal, June 1991

Lonsdaleite – A material stronger and stiffer than diamond
journal, August 2011

Transformation of graphite to lonsdaleite and diamond in the Goalpara ureilite directly observed by TEM
journal, March 2013

Constant-pressure first-principles studies on the transition states of the graphite-diamond transformation
journal, December 1996

New evidence of meteoritic origin of the Tunguska cosmic body
journal, August 2013

First-principles study on the lonsdaleite phases of C, Si and Ge
journal, March 2003

Detailed Structures of Hexagonal Diamond (lonsdaleite) and Wurtzite-type BN
journal, April 2003

Structural characterization of natural diamond shocked to 60 GPa; implications for Earth and planetary systems
journal, November 2016

Diffusionless Nucleation of Lonsdaleite and Diamond in Hexagonal Graphite under Static Compression
journal, January 2004

Man-Made Diamonds
journal, July 1955

Mechanism for direct graphite-to-diamond phase transition
journal, August 2014

Lonsdaleite is faulted and twinned cubic diamond and does not exist as a discrete material
journal, November 2014

Bonding Changes in Compressed Superhard Graphite
journal, October 2003

Finite-element modeling of diamond deformation at multimegabar pressures
journal, February 1999

Shock-induced martensitic phase transformation of oriented graphite to diamond
journal, January 1991

Temperature dependent elastic constants for crystals with arbitrary symmetry: Combined first principles and continuum elasticity theory
journal, April 2012

Body-Centered Tetragonal $C_{4}$ : A Viable $s p^{3}$ Carbon Allotrope
journal, March 2010

Crystal structure of graphite under room-temperature compression and decompression
journal, July 2012

Shock‐induced martensitic transformation of highly oriented graphite to diamond
journal, May 1992

New High-Pressure Phases of Carbon
journal, May 1991

Nanocrystalline hexagonal diamond formed from glassy carbon
journal, November 2016

High-pressure in situ x-ray-diffraction study of the phase transformation from graphite to hexagonal diamond at room temperature
journal, September 1992

Lonsdaleite, a Hexagonal Polymorph of Diamond
journal, May 1967

Direct Conversion of Graphite to Diamond in Static Pressure Apparatus
journal, February 1963

Possible structural models of n ‐diamond: A modified form of diamond
journal, July 1992

Nucleation mechanism for the direct graphite-to-diamond phase transition
journal, July 2011

Two-dimensional detector software: From real detector to idealised image or two-theta scan
journal, January 1996

Formation of Diamond by Explosive Shock
journal, July 1961

Direct Conversion of Graphite to Diamond in Static Pressure Apparatus
journal, September 1962

Ultrafast transformation of graphite to diamond: An ab initio study of graphite under shock compression
text, January 2008

Temperature dependent elastic constants for crystals with arbitrary symmetry: combined first principles and continuum elasticity theory
text, January 2012

New evidence of meteoritic origin of the Tunguska cosmic body
journal, August 2013

Graphite to Diamond: Origin for Kinetics Selectivity
journal, February 2017

Nanometre-size diamonds in the Cretaceous/Tertiary boundary clay of Alberta
journal, August 1991

Lonsdaleite is faulted and twinned cubic diamond and does not exist as a discrete material
journal, November 2014

Crystal structure of graphite under room-temperature compression and decompression
journal, July 2012

Nanocrystalline hexagonal diamond formed from glassy carbon
journal, November 2016

Laser interferometer for measuring high velocities of any reflecting surface
journal, November 1972

Ultrafast transformation of graphite to diamond: An ab initio study of graphite under shock compression
journal, May 2008

First-principles pseudopotential calculations of the elastic properties of diamond, Si, and Ge
journal, October 1990

Anharmonic Keating model for group-IV semiconductors with application to the lattice dynamics in alloys of Si, Ge, and C
journal, October 1995

Low-Temperature Phase Transformation from Graphite to $s p^{3}$ Orthorhombic Carbon
journal, February 2011

Bonding Changes in Compressed Superhard Graphite
journal, October 2003

Formation of Diamond by Explosive Shock
journal, June 1961

Modified Phases of Diamond Formed Under Shock Compression and Rapid Quenching
journal, August 1991

Natural monocrystalline lonsdaleite
journal, November 2011

Transformation of graphite to lonsdaleite and diamond in the Goalpara ureilite directly observed by TEM
journal, March 2013

Predicting superhard materials via a machine learning informed evolutionary structure search
journal, September 2019

Quantifying hexagonal stacking in diamond
journal, July 2019

Laboratory setup for rapid in situ powder X-ray diffraction elucidating Ni particle formation in supercritical methanol
journal, July 2019

Graphite to diamond transformation under shock compression: Role of orientational order
journal, June 2019

Nano-to-micro diamond formation by nanosecond pulsed laser annealing
journal, September 2019

Ab initio dielectric response function of diamond and other relevant high pressure phases of carbon
journal, November 2019