Role of graphite crystal structure on the shock-induced formation of cubic and hexagonal diamond

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

doi:10.1103/PhysRevB.101.224109

Title: Role of graphite crystal structure on the shock-induced formation of cubic and hexagonal diamond

Abstract

Since cubic diamond was first recovered from explosively shocked graphite samples in 1961, the shock-induced graphite to diamond phase transformation has been of great scientific and technological interest. Recent real time x-ray diffraction results on different types of pyrolytic graphite under shock compression have reported hexagonal diamond and cubic diamond formation at comparable stresses. To resolve and understand these differences, synchrotron x-ray diffraction measurements were used to examine, in real time, the plate impact shock response of two grades of highly oriented pyrolytic graphite and as-deposited pyrolytic graphite — at stresses below and above their respective phase transformation stresses. The present results show that at their respective transformation stresses, crystallites in as-deposited pyrolytic graphite are compressed ~30% more along the c-axis than crystallites in both highly oriented pyrolytic graphite types. This work establishes that the high-pressure phase of even ZYH-grade highly oriented pyrolytic graphite (a less oriented variety with mosaic spread 3.5°±1.5°), at ~50 GPa, is hexagonal diamond. In contrast, the high-pressure phase of as-deposited pyrolytic graphite (mosaic spread ~45°), in the present work, at ~60 GPa, is cubic diamond. Analysis of ambient x-ray diffraction data demonstrates that the crystallites in the highly oriented pyrolytic graphite samples have the hexagonalmore »« less

Authors:

^[1]; Turneaure, Stefan J. ^[1]; Sharma, Surinder M. ^[1];

^[1]

Washington State Univ., Pullman, WA (United States)

Publication Date:: Tue Jun 09 00:00:00 EDT 2020

Research Org.:: Washington State University, Pullman, WA (United States). Institute for Shock Physics; Argonne National Lab. (ANL), Argonne, IL (United States); Washington State Univ., Pullman, WA (United States)

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

OSTI Identifier:: 1632680

Alternate Identifier(s):: OSTI ID: 1678727

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

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review B

Additional Journal Information:: Journal Volume: 101; Journal Issue: 22; Journal ID: ISSN 2469-9950

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

Subject:: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 36 MATERIALS SCIENCE; Crystal structure; Shock waves; Solid-solid transformations; Structural phase transition; Polycrystalline materials; Interferometry; X-ray diffraction

Citation Formats


                    Volz, Travis J., Turneaure, Stefan J., Sharma, Surinder M., and Gupta, Y. M. Role of graphite crystal structure on the shock-induced formation of cubic and hexagonal diamond.  United States: N. p., 2020. 
Web.  doi:10.1103/PhysRevB.101.224109.

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                    Volz, Travis J., Turneaure, Stefan J., Sharma, Surinder M., & Gupta, Y. M. Role of graphite crystal structure on the shock-induced formation of cubic and hexagonal diamond.  United States.  https://doi.org/10.1103/PhysRevB.101.224109

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                    Volz, Travis J., Turneaure, Stefan J., Sharma, Surinder M., and Gupta, Y. M. Tue .  
"Role of graphite crystal structure on the shock-induced formation of cubic and hexagonal diamond".  United States.  https://doi.org/10.1103/PhysRevB.101.224109.  https://www.osti.gov/servlets/purl/1632680.

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@article{osti_1632680,

  title        = {Role of graphite crystal structure on the shock-induced formation of cubic and hexagonal diamond},

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

  abstractNote = {Since cubic diamond was first recovered from explosively shocked graphite samples in 1961, the shock-induced graphite to diamond phase transformation has been of great scientific and technological interest. Recent real time x-ray diffraction results on different types of pyrolytic graphite under shock compression have reported hexagonal diamond and cubic diamond formation at comparable stresses. To resolve and understand these differences, synchrotron x-ray diffraction measurements were used to examine, in real time, the plate impact shock response of two grades of highly oriented pyrolytic graphite and as-deposited pyrolytic graphite — at stresses below and above their respective phase transformation stresses. The present results show that at their respective transformation stresses, crystallites in as-deposited pyrolytic graphite are compressed ~30% more along the c-axis than crystallites in both highly oriented pyrolytic graphite types. This work establishes that the high-pressure phase of even ZYH-grade highly oriented pyrolytic graphite (a less oriented variety with mosaic spread 3.5°±1.5°), at ~50 GPa, is hexagonal diamond. In contrast, the high-pressure phase of as-deposited pyrolytic graphite (mosaic spread ~45°), in the present work, at ~60 GPa, is cubic diamond. Analysis of ambient x-ray diffraction data demonstrates that the crystallites in the highly oriented pyrolytic graphite samples have the hexagonal graphite crystal structure with 3D long range order. In contrast, the crystallites in the as-deposited pyrolytic graphite samples have a turbostratic carbon crystal structure which lacks rotational/translational order between parallel adjacent graphene layers. The ambient results suggest that the observed high-pressure crystal structure of shocked graphite depends strongly on the initial crystal structure — shock compression along the c-axis of hexagonal graphite (in highly oriented pyrolytic graphite) results in highly textured hexagonal diamond and shock compression of turbostratic carbon (in as-deposited pyrolytic graphite) results in nanograined cubic diamond. The present results reconcile previous disparate findings, establish the definitive role of the initial crystal structure, and provide a benchmark for theoretical simulations.},

  doi          = {10.1103/PhysRevB.101.224109},

  journal      = {Physical Review B},

  number       = 22,

  volume       = 101,

  place        = {United States},

  year         = {Tue Jun 09 00:00:00 EDT 2020},

  month        = {Tue Jun 09 00:00:00 EDT 2020}

}

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Title: Role of graphite crystal structure on the shock-induced formation of cubic and hexagonal diamond

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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

The structure of graphitic carbons journal, May 1951

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Hexagonal Diamonds in Meteorites: Implications journal, February 1967

Elastic Constants of Compression‐Annealed Pyrolytic Graphite journal, July 1970

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Origin of Diamonds in the Ureilites journal, March 1964

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Cerium-doped lutetium oxyorthosilicate: a fast, efficient new scintillator journal, January 1992

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

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Velocity sensing interferometer (VISAR) modification journal, January 1979

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

X‐ray diffraction study of single crystals undergoing shock‐wave compression journal, July 1972

Compression of polyhedral graphite up to 43 GPa and x-ray diffraction study on elasticity and stability of the graphite phase journal, June 2004

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

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

Effect of Pressure on the Resistance of Pyrolytic Graphite journal, August 1962

Harder than Diamond: Superior Indentation Strength of Wurtzite BN and Lonsdaleite journal, February 2009

Carbon: A New Crystalline Phase journal, May 1963

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

Families of Superhard Crystalline Carbon Allotropes Constructed via Cold Compression of Graphite and Nanotubes journal, March 2012

On the Mechanism of Diamond Formation: Diamonds form by the shock-conversion of graphite, but not by decomposition of metal carbides journal, December 1961

The mechanical and strength properties of diamond journal, November 2012

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

Submicrosecond polymorphic transformations accompanying shock compression of graphite journal, December 2010

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

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

Analysis of the Pulse Superposition Method for Measuring Ultrasonic Wave Velocities as a Function of Temperature and Pressure journal, May 1962

Ab initio study of the formation of transparent carbon under pressure journal, October 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

Nanodiamond nucleation below 2273K at 15GPa from carbons with different structural organizations journal, March 2007

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

High-pressure structural and electronic properties of carbon journal, August 1987

Transformation of shock-compressed graphite to hexagonal diamond in nanoseconds journal, October 2017

Lonsdaleite, a Hexagonal Polymorph of Diamond journal, May 1967

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

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

X-Ray Diffraction in Random Layer Lattices journal, May 1941

Compressibility of Pyrolytic Graphite journal, January 1964

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

Total energy calculations of the lattice properties of cubic and hexagonal diamond journal, June 1998

Determining the refractive index of shocked [100] lithium fluoride to the limit of transmissibility journal, July 2014

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

Synthesis of quenchable amorphous diamond
journal, August 2017

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

The structure of graphitic carbons
journal, May 1951

Superhard Monoclinic Polymorph of Carbon
journal, April 2009

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

Mechanochemical formation of heterogeneous diamond structures during rapid uniaxial compression in graphite
journal, May 2018

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

Pseudopotential total-energy study of the transition from rhombohedral graphite to diamond
journal, July 1986

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

The pressure-temperature phase and transformation diagram for carbon; updated through 1994
journal, January 1996

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

Quantifying hexagonal stacking in diamond
journal, July 2019

Third-order elastic constants of diamond determined from experimental data
journal, June 2016

Hexagonal Diamonds in Meteorites: Implications
journal, February 1967

Elastic Constants of Compression‐Annealed Pyrolytic Graphite
journal, July 1970

Phase transition and shock-compression parameters to 120 GPa for three types of graphite and for amorphous carbon
journal, November 1980

Origin of Diamonds in the Ureilites
journal, March 1964

Crystal Structure of Cold Compressed Graphite
journal, February 2012

Formation of Diamond by Explosive Shock
journal, June 1961

Cerium-doped lutetium oxyorthosilicate: a fast, efficient new scintillator
journal, January 1992

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

Extent of stacking disorder in diamond
journal, October 2015

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

Unique Nanomechanical Properties of Diamond–Lonsdaleite Biphases: Combined Experimental and Theoretical Consideration of Popigai Impact Diamonds
journal, February 2019

Hugoniot equation of state of twelve rocks
journal, October 1967

The interlayer spacing of graphite
journal, November 1951

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

Velocity sensing interferometer (VISAR) modification
journal, January 1979

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

X‐ray diffraction study of single crystals undergoing shock‐wave compression
journal, July 1972

Compression of polyhedral graphite up to 43 GPa and x-ray diffraction study on elasticity and stability of the graphite phase
journal, June 2004

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

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

Effect of Pressure on the Resistance of Pyrolytic Graphite
journal, August 1962

Harder than Diamond: Superior Indentation Strength of Wurtzite BN and Lonsdaleite
journal, February 2009

Carbon: A New Crystalline Phase
journal, May 1963

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

Families of Superhard Crystalline Carbon Allotropes Constructed via Cold Compression of Graphite and Nanotubes
journal, March 2012

On the Mechanism of Diamond Formation: Diamonds form by the shock-conversion of graphite, but not by decomposition of metal carbides
journal, December 1961

The mechanical and strength properties of diamond
journal, November 2012

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

Submicrosecond polymorphic transformations accompanying shock compression of graphite
journal, December 2010

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

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

Analysis of the Pulse Superposition Method for Measuring Ultrasonic Wave Velocities as a Function of Temperature and Pressure
journal, May 1962

Ab initio study of the formation of transparent carbon under pressure
journal, October 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

Nanodiamond nucleation below 2273K at 15GPa from carbons with different structural organizations
journal, March 2007

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

High-pressure structural and electronic properties of carbon
journal, August 1987

Transformation of shock-compressed graphite to hexagonal diamond in nanoseconds
journal, October 2017

Lonsdaleite, a Hexagonal Polymorph of Diamond
journal, May 1967

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

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

X-Ray Diffraction in Random Layer Lattices
journal, May 1941

Compressibility of Pyrolytic Graphite
journal, January 1964

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

Total energy calculations of the lattice properties of cubic and hexagonal diamond
journal, June 1998

Determining the refractive index of shocked [100] lithium fluoride to the limit of transmissibility
journal, July 2014

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