In situ analysis of the structural transformation of glassy carbon under compression at room temperature
Abstract
Room temperature compression of graphitic materials leads to interesting superhard sp3 rich phases which are sometimes transparent. In the case of graphite itself, the sp3 rich phase is proposed to be monoclinic M-carbon; however, for disordered materials such as glassy carbon the nature of the transformation is unknown. We compress glassy carbon at room temperature in a diamond anvil cell, examine the structure in situ using x-ray diffraction, and interpret the findings with molecular dynamics modeling. Experiment and modeling both predict a two-stage transformation. First, the isotropic glassy carbon undergoes a reversible transformation to an oriented compressed graphitic structure. This is followed by a phase transformation at ~35 GPa to an unstable, disordered sp3 rich structure that reverts on decompression to an oriented graphitic structure. Analysis of the simulated sp3 rich material formed at high pressure reveals a noncrystalline structure with two different sp3 bond lengths.
- Authors:
-
[7];
- Australian National Univ., Canberra, ACT (Australia)
- Curtin Univ., Perth, WA (United States)
- RMIT Univ., Melbourne, VIC (Australia)
- Univ. of Sydney, NSW (Australia)
- Carnegie Inst. of Washington, Washington, DC (United States)
- Carnegie Inst. of Washington, Washington, DC (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Publication Date:
- Research Org.:
- Energy Frontier Research Centers (EFRC) (United States). Energy Frontier Research in Extreme Environments (EFree); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE National Nuclear Security Administration (NNSA)
- OSTI Identifier:
- 1607302
- Alternate Identifier(s):
- OSTI ID: 1492909
- Grant/Contract Number:
- AC05-00OR22725; AC02-06CH11357; FT120100924; SC0001057; NA0001974
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review B
- Additional Journal Information:
- Journal Volume: 99; Journal Issue: 2; 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; carbon-based materials; molecular dynamics; pressure techniques; X-ray diffraction
Citation Formats
Shiell, Tom B., de Tomas, C., McCulloch, D. G., McKenzie, D. R., Basu, A., Suarez-Martinez, I., Marks, N. A., Boehler, Reinhard, Haberl, Bianca, and Bradby, J. E. In situ analysis of the structural transformation of glassy carbon under compression at room temperature. United States: N. p., 2019.
Web. doi:10.1103/PhysRevB.99.024114.
Shiell, Tom B., de Tomas, C., McCulloch, D. G., McKenzie, D. R., Basu, A., Suarez-Martinez, I., Marks, N. A., Boehler, Reinhard, Haberl, Bianca, & Bradby, J. E. In situ analysis of the structural transformation of glassy carbon under compression at room temperature. United States. https://doi.org/10.1103/PhysRevB.99.024114
Shiell, Tom B., de Tomas, C., McCulloch, D. G., McKenzie, D. R., Basu, A., Suarez-Martinez, I., Marks, N. A., Boehler, Reinhard, Haberl, Bianca, and Bradby, J. E. Wed .
"In situ analysis of the structural transformation of glassy carbon under compression at room temperature". United States. https://doi.org/10.1103/PhysRevB.99.024114. https://www.osti.gov/servlets/purl/1607302.
@article{osti_1607302,
title = {In situ analysis of the structural transformation of glassy carbon under compression at room temperature},
author = {Shiell, Tom B. and de Tomas, C. and McCulloch, D. G. and McKenzie, D. R. and Basu, A. and Suarez-Martinez, I. and Marks, N. A. and Boehler, Reinhard and Haberl, Bianca and Bradby, J. E.},
abstractNote = {Room temperature compression of graphitic materials leads to interesting superhard sp3 rich phases which are sometimes transparent. In the case of graphite itself, the sp3 rich phase is proposed to be monoclinic M-carbon; however, for disordered materials such as glassy carbon the nature of the transformation is unknown. We compress glassy carbon at room temperature in a diamond anvil cell, examine the structure in situ using x-ray diffraction, and interpret the findings with molecular dynamics modeling. Experiment and modeling both predict a two-stage transformation. First, the isotropic glassy carbon undergoes a reversible transformation to an oriented compressed graphitic structure. This is followed by a phase transformation at ~35 GPa to an unstable, disordered sp3 rich structure that reverts on decompression to an oriented graphitic structure. Analysis of the simulated sp3 rich material formed at high pressure reveals a noncrystalline structure with two different sp3 bond lengths.},
doi = {10.1103/PhysRevB.99.024114},
journal = {Physical Review B},
number = 2,
volume = 99,
place = {United States},
year = {Wed Jan 30 00:00:00 EST 2019},
month = {Wed Jan 30 00:00:00 EST 2019}
}
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Works referenced in this record:
Structure of Glassy Carbon
journal, May 1971
- Jenkins, G. M.; Kawamura, K.
- Nature, Vol. 231, Issue 5299
Light-Transparent Phase Formed by Room-Temperature Compression of Graphite
journal, June 1991
- Yagi, W. U. A. T.
- Science, Vol. 252, Issue 5012
Amorphous Diamond: A High-Pressure Superhard Carbon Allotrope
journal, October 2011
- Lin, Yu; Zhang, Li; Mao, Ho-kwang
- Physical Review Letters, Vol. 107, Issue 17
Graphitization of Glassy Carbon after Compression at Room Temperature
journal, May 2018
- Shiell, T. B.; McCulloch, D. G.; McKenzie, D. R.
- Physical Review Letters, Vol. 120, Issue 21
Graphitization of amorphous carbons: A comparative study of interatomic potentials
journal, November 2016
- de Tomas, Carla; Suarez-Martinez, Irene; Marks, Nigel A.
- Carbon, Vol. 109
Synthesis of quenchable amorphous diamond
journal, August 2017
- Zeng, Zhidan; Yang, Liuxiang; Zeng, Qiaoshi
- Nature Communications, Vol. 8, Issue 1
Structure, Bonding, and Mineralogy of Carbon at Extreme Conditions
journal, January 2013
- Oganov, A. R.; Hemley, R. J.; Hazen, R. M.
- Reviews in Mineralogy and Geochemistry, Vol. 75, Issue 1
Novel diamond cells for neutron diffraction using multi-carat CVD anvils
journal, August 2017
- Boehler, R.; Molaison, J. J.; Haberl, B.
- Review of Scientific Instruments, Vol. 88, Issue 8
Uniaxial-stress-driven transformation in cold compressed glassy carbon
journal, September 2017
- Yao, Mingguang; Fan, Xianhong; Zhang, Weiwei
- Applied Physics Letters, Vol. 111, Issue 10
The shear-driven transformation mechanism from glassy carbon to hexagonal diamond
journal, February 2019
- Wong, S.; Shiell, T. B.; Cook, B. A.
- Carbon, Vol. 142
Superhard Monoclinic Polymorph of Carbon
journal, April 2009
- Li, Quan; Ma, Yanming; Oganov, Artem R.
- Physical Review Letters, Vol. 102, Issue 17
Low-Temperature Phase Transformation from Graphite to Orthorhombic Carbon
journal, February 2011
- Wang, Jian-Tao; Chen, Changfeng; Kawazoe, Yoshiyuki
- Physical Review Letters, Vol. 106, Issue 7
New diamond cell for single-crystal x-ray diffraction
journal, November 2006
- Boehler, Reinhard
- Review of Scientific Instruments, Vol. 77, Issue 11
Carbide-derived carbons for dense and tunable 3D graphene networks
journal, June 2018
- de Tomas, Carla; Suarez-Martinez, Irene; Marks, Nigel A.
- Applied Physics Letters, Vol. 112, Issue 25
Microstructural investigation supporting an abrupt stress induced transformation in amorphous carbon films
journal, April 2009
- Lau, D. W. M.; Partridge, J. G.; Taylor, M. B.
- Journal of Applied Physics, Vol. 105, Issue 8
Bonding Changes in Compressed Superhard Graphite
journal, October 2003
- Mao, W. L.
- Science, Vol. 302, Issue 5644
Fast Parallel Algorithms for Short-Range Molecular Dynamics
journal, March 1995
- Plimpton, Steve
- Journal of Computational Physics, Vol. 117, Issue 1
Nanoarchitectured materials composed of fullerene-like spheroids and disordered graphene layers with tunable mechanical properties
journal, February 2015
- Zhao, Zhisheng; Wang, Erik F.; Yan, Hongping
- Nature Communications, Vol. 6, Issue 1
Novel Superhard Carbon: C-Centered Orthorhombic
journal, November 2011
- Zhao, Zhisheng; Xu, Bo; Zhou, Xiang-Feng
- Physical Review Letters, Vol. 107, Issue 21
Body-Centered Tetragonal : A Viable Carbon Allotrope
journal, March 2010
- Umemoto, Koichiro; Wentzcovitch, Renata M.; Saito, Susumu
- Physical Review Letters, Vol. 104, Issue 12
Global transition path search for dislocation formation in Ge on Si(001)
journal, August 2016
- Maras, E.; Trushin, O.; Stukowski, A.
- Computer Physics Communications, Vol. 205
Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool
journal, December 2009
- Stukowski, Alexander
- Modelling and Simulation in Materials Science and Engineering, Vol. 18, Issue 1
Crystal Structure of Cold Compressed Graphite
journal, February 2012
- Amsler, Maximilian; Flores-Livas, José A.; Lehtovaara, Lauri
- Physical Review Letters, Vol. 108, Issue 6
Crystal structure of graphite under room-temperature compression and decompression
journal, July 2012
- Wang, Yuejian; Panzik, Joseph E.; Kiefer, Boris
- Scientific Reports, Vol. 2, Issue 1
Nanocrystalline hexagonal diamond formed from glassy carbon
journal, November 2016
- Shiell, Thomas. B.; McCulloch, Dougal G.; Bradby, Jodie E.
- Scientific Reports, Vol. 6, Issue 1
DIOPTAS : a program for reduction of two-dimensional X-ray diffraction data and data exploration
journal, May 2015
- Prescher, Clemens; Prakapenka, Vitali B.
- High Pressure Research, Vol. 35, Issue 3
Systematic search for low-enthalpy carbon allotropes using evolutionary metadynamics
journal, May 2012
- Zhu, Qiang; Zeng, Qingfeng; Oganov, Artem R.
- Physical Review B, Vol. 85, Issue 20
Determination of bonding in diamond-like carbon by Raman spectroscopy
journal, March 2002
- Ferrari, Andrea Carlo
- Diamond and Related Materials, Vol. 11, Issue 3-6
From soft to superhard: Fifty years of experiments on cold-compressed graphite
journal, November 2012
- Wang, Y.; Lee, K. K. M.
- Journal of Superhard Materials, Vol. 34, Issue 6
Generalizing the environment-dependent interaction potential for carbon
journal, December 2000
- Marks, N. A.
- Physical Review B, Vol. 63, Issue 3
Compressed glassy carbon: An ultrastrong and elastic interpenetrating graphene network
journal, June 2017
- Hu, Meng; He, Julong; Zhao, Zhisheng
- Science Advances, Vol. 3, Issue 6
Calibration of the ruby pressure gauge to 800 kbar under quasi-hydrostatic conditions
journal, January 1986
- Mao, H. K.; Xu, J.; Bell, P. M.
- Journal of Geophysical Research, Vol. 91, Issue B5, p. 4673-4676
Raman spectroscopy of glassy carbon up to 60 GPa
journal, March 2013
- Solopova, N. A.; Dubrovinskaia, N.; Dubrovinsky, L.
- Applied Physics Letters, Vol. 102, Issue 12
Understanding the nature of “superhard graphite”
journal, June 2012
- Boulfelfel, Salah Eddine; Oganov, Artem R.; Leoni, Stefano
- Scientific Reports, Vol. 2, Issue 1
Fullerene-related structure of commercial glassy carbons
journal, October 2004
- Harris †, P. J. F.
- Philosophical Magazine, Vol. 84, Issue 29
Understanding the nature of "superhard graphite"
text, January 2012
- Boulfelfel, Salah Eddine; Oganov, Artem R.; Leoni, Stefano
- arXiv
Global transition path search for dislocation formation in Ge on Si(001)
text, January 2016
- Maras, Emile; Trushin, Oleg; Stukowski, Alexander
- arXiv