In situ analysis of the structural transformation of glassy carbon under compression at room temperature

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.

doi:10.1103/PhysRevB.99.024114

In situ analysis of the structural transformation of glassy carbon under compression at room temperature

Journal Article · Tue Jan 29 23:00:00 EST 2019 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.99.024114· OSTI ID:1607302

Shiell, Tom B. ^[1]; de Tomas, C. ^[2]; McCulloch, D. G. ^[3]; McKenzie, D. R. ^[4]; Basu, A. ^[5]; Suarez-Martinez, I. ^[2]; Marks, N. A. ^[2]; Boehler, Reinhard ^[6]; ^[7]; Bradby, J. E. ^[1]

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)

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.

View Accepted Manuscript (DOE)

Research Organization:: 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 Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC05-00OR22725; AC02-06CH11357

OSTI ID:: 1607302

Alternate ID(s):: OSTI ID: 1492909
OSTI ID: 1494751

Journal Information:: Physical Review B, Journal Name: Physical Review B Journal Issue: 2 Vol. 99; ISSN 2469-9950; ISSN PRBMDO

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

References (37)

Fast Parallel Algorithms for Short-Range Molecular Dynamics Plimpton, Steve Journal of Computational Physics, Vol. 117, Issue 1 https://doi.org/10.1006/jcph.1995.1039	journal	March 1995
Determination of bonding in diamond-like carbon by Raman spectroscopy Ferrari, Andrea Carlo Diamond and Related Materials, Vol. 11, Issue 3-6 https://doi.org/10.1016/S0925-9635(01)00730-0	journal	March 2002
Graphitization of amorphous carbons: A comparative study of interatomic potentials de Tomas, Carla; Suarez-Martinez, Irene; Marks, Nigel A. Carbon, Vol. 109 https://doi.org/10.1016/j.carbon.2016.08.024	journal	November 2016
The shear-driven transformation mechanism from glassy carbon to hexagonal diamond Wong, S.; Shiell, T. B.; Cook, B. A. Carbon, Vol. 142 https://doi.org/10.1016/j.carbon.2018.10.080	journal	February 2019
Global transition path search for dislocation formation in Ge on Si(001) Maras, E.; Trushin, O.; Stukowski, A. Computer Physics Communications, Vol. 205 https://doi.org/10.1016/j.cpc.2016.04.001	journal	August 2016
Calibration of the ruby pressure gauge to 800 kbar under quasi-hydrostatic conditions Mao, H. K.; Xu, J.; Bell, P. M. Journal of Geophysical Research, Vol. 91, Issue B5, p. 4673-4676 https://doi.org/10.1029/JB091iB05p04673	journal	January 1986
Structure of Glassy Carbon Jenkins, G. M.; Kawamura, K. Nature, Vol. 231, Issue 5299 https://doi.org/10.1038/231175a0	journal	May 1971
Nanoarchitectured materials composed of fullerene-like spheroids and disordered graphene layers with tunable mechanical properties Zhao, Zhisheng; Wang, Erik F.; Yan, Hongping Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms7212	journal	February 2015
Synthesis of quenchable amorphous diamond Zeng, Zhidan; Yang, Liuxiang; Zeng, Qiaoshi Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/s41467-017-00395-w	journal	August 2017
Understanding the nature of “superhard graphite” Boulfelfel, Salah Eddine; Oganov, Artem R.; Leoni, Stefano Scientific Reports, Vol. 2, Issue 1 https://doi.org/10.1038/srep00471	journal	June 2012
Crystal structure of graphite under room-temperature compression and decompression Wang, Yuejian; Panzik, Joseph E.; Kiefer, Boris Scientific Reports, Vol. 2, Issue 1 https://doi.org/10.1038/srep00520	journal	July 2012
Nanocrystalline hexagonal diamond formed from glassy carbon Shiell, Thomas. B.; McCulloch, Dougal G.; Bradby, Jodie E. Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep37232	journal	November 2016
New diamond cell for single-crystal x-ray diffraction Boehler, Reinhard Review of Scientific Instruments, Vol. 77, Issue 11 https://doi.org/10.1063/1.2372734	journal	November 2006
Microstructural investigation supporting an abrupt stress induced transformation in amorphous carbon films Lau, D. W. M.; Partridge, J. G.; Taylor, M. B. Journal of Applied Physics, Vol. 105, Issue 8 https://doi.org/10.1063/1.3075867	journal	April 2009
Raman spectroscopy of glassy carbon up to 60 GPa Solopova, N. A.; Dubrovinskaia, N.; Dubrovinsky, L. Applied Physics Letters, Vol. 102, Issue 12 https://doi.org/10.1063/1.4798660	journal	March 2013
Uniaxial-stress-driven transformation in cold compressed glassy carbon Yao, Mingguang; Fan, Xianhong; Zhang, Weiwei Applied Physics Letters, Vol. 111, Issue 10 https://doi.org/10.1063/1.4996278	journal	September 2017
Novel diamond cells for neutron diffraction using multi-carat CVD anvils Boehler, R.; Molaison, J. J.; Haberl, B. Review of Scientific Instruments, Vol. 88, Issue 8 https://doi.org/10.1063/1.4997265	journal	August 2017
Carbide-derived carbons for dense and tunable 3D graphene networks de Tomas, Carla; Suarez-Martinez, Irene; Marks, Nigel A. Applied Physics Letters, Vol. 112, Issue 25 https://doi.org/10.1063/1.5030136	journal	June 2018
DIOPTAS : a program for reduction of two-dimensional X-ray diffraction data and data exploration Prescher, Clemens; Prakapenka, Vitali B. High Pressure Research, Vol. 35, Issue 3 https://doi.org/10.1080/08957959.2015.1059835	journal	May 2015
Fullerene-related structure of commercial glassy carbons Harris †, P. J. F. Philosophical Magazine, Vol. 84, Issue 29 https://doi.org/10.1080/14786430410001720363	journal	October 2004
Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool Stukowski, Alexander Modelling and Simulation in Materials Science and Engineering, Vol. 18, Issue 1 https://doi.org/10.1088/0965-0393/18/1/015012	journal	December 2009
Generalizing the environment-dependent interaction potential for carbon Marks, N. A. Physical Review B, Vol. 63, Issue 3 https://doi.org/10.1103/PhysRevB.63.035401	journal	December 2000
Systematic search for low-enthalpy s p 3 carbon allotropes using evolutionary metadynamics Zhu, Qiang; Zeng, Qingfeng; Oganov, Artem R. Physical Review B, Vol. 85, Issue 20 https://doi.org/10.1103/PhysRevB.85.201407	journal	May 2012
Superhard Monoclinic Polymorph of Carbon Li, Quan; Ma, Yanming; Oganov, Artem R. Physical Review Letters, Vol. 102, Issue 17 https://doi.org/10.1103/PhysRevLett.102.175506	journal	April 2009
Body-Centered Tetragonal C 4 : A Viable s p 3 Carbon Allotrope Umemoto, Koichiro; Wentzcovitch, Renata M.; Saito, Susumu Physical Review Letters, Vol. 104, Issue 12 https://doi.org/10.1103/PhysRevLett.104.125504	journal	March 2010
Low-Temperature Phase Transformation from Graphite to s p 3 Orthorhombic Carbon Wang, Jian-Tao; Chen, Changfeng; Kawazoe, Yoshiyuki Physical Review Letters, Vol. 106, Issue 7 https://doi.org/10.1103/PhysRevLett.106.075501	journal	February 2011
Amorphous Diamond: A High-Pressure Superhard Carbon Allotrope Lin, Yu; Zhang, Li; Mao, Ho-kwang Physical Review Letters, Vol. 107, Issue 17 https://doi.org/10.1103/PhysRevLett.107.175504	journal	October 2011
Novel Superhard Carbon: C-Centered Orthorhombic C 8 Zhao, Zhisheng; Xu, Bo; Zhou, Xiang-Feng Physical Review Letters, Vol. 107, Issue 21 https://doi.org/10.1103/PhysRevLett.107.215502	journal	November 2011
Crystal Structure of Cold Compressed Graphite Amsler, Maximilian; Flores-Livas, José A.; Lehtovaara, Lauri Physical Review Letters, Vol. 108, Issue 6 https://doi.org/10.1103/PhysRevLett.108.065501	journal	February 2012
Graphitization of Glassy Carbon after Compression at Room Temperature Shiell, T. B.; McCulloch, D. G.; McKenzie, D. R. Physical Review Letters, Vol. 120, Issue 21 https://doi.org/10.1103/PhysRevLett.120.215701	journal	May 2018
Compressed glassy carbon: An ultrastrong and elastic interpenetrating graphene network Hu, Meng; He, Julong; Zhao, Zhisheng Science Advances, Vol. 3, Issue 6 https://doi.org/10.1126/sciadv.1603213	journal	June 2017
Bonding Changes in Compressed Superhard Graphite Mao, W. L. Science, Vol. 302, Issue 5644 https://doi.org/10.1126/science.1089713	journal	October 2003
Light-Transparent Phase Formed by Room-Temperature Compression of Graphite Yagi, W. U. A. T. Science, Vol. 252, Issue 5012 https://doi.org/10.1126/science.252.5012.1542	journal	June 1991
Structure, Bonding, and Mineralogy of Carbon at Extreme Conditions Oganov, A. R.; Hemley, R. J.; Hazen, R. M. Reviews in Mineralogy and Geochemistry, Vol. 75, Issue 1 https://doi.org/10.2138/rmg.2013.75.3	journal	January 2013
From soft to superhard: Fifty years of experiments on cold-compressed graphite Wang, Y.; Lee, K. K. M. Journal of Superhard Materials, Vol. 34, Issue 6 https://doi.org/10.3103/S106345761206010X	journal	November 2012
Understanding the nature of "superhard graphite" Boulfelfel, Salah Eddine; Oganov, Artem R.; Leoni, Stefano arXiv https://doi.org/10.48550/arxiv.1204.4750	text	January 2012
Global transition path search for dislocation formation in Ge on Si(001) Maras, Emile; Trushin, Oleg; Stukowski, Alexander arXiv https://doi.org/10.48550/arxiv.1601.06597	text	January 2016

Similar Records

Graphitization of Glassy Carbon after Compression at Room Temperature

Journal Article · Wed May 23 00:00:00 EDT 2018 · Physical Review Letters · OSTI ID:1523764

Compressed glassy carbon maintaining graphite-like structure with linkage formation between graphene layers

Journal Article · Fri May 17 00:00:00 EDT 2019 · Scientific Reports · OSTI ID:1619002

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
X-ray diffraction
carbon-based materials
molecular dynamics
pressure techniques

In situ analysis of the structural transformation of glassy carbon under compression at room temperature

Citation Formats

References (37)

Similar Records

Related Subjects