Detonation-induced transformation of graphite to hexagonal diamond
Abstract
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.
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- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- Washington State Univ., Pullman, WA (United States). Inst. for Shock Physics
- Washington State Univ., Pullman, WA (United States). Inst. for Shock Physics; Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
- Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
- Publication Date:
- Research Org.:
- Argonne National Lab. (ANL), Argonne, IL (United States); Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Washington State Univ., Pullman, WA (United States)
- Sponsoring Org.:
- USDOE National Nuclear Security Administration (NNSA); USDOE Laboratory Directed Research and Development (LDRD) Program
- OSTI Identifier:
- 1756096
- Alternate Identifier(s):
- OSTI ID: 1669243; OSTI ID: 1680030
- Report Number(s):
- LLNL-JRNL-812742
Journal ID: ISSN 2469-9950; 162668; TRN: US2206001
- Grant/Contract Number:
- AC02-06CH11357; AC52-07NA27344; 18-SI-004; NA0002442; AC0206CH11357; NA0003957
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review B
- Additional Journal Information:
- Journal Volume: 102; Journal Issue: 10; Journal ID: ISSN 2469-9950
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; 58 GEOSCIENCES; Pressure effects; Shock waves; Structural phase transition; Structural properties; Graphite; Density functional calculations; Pressure techniques; X-ray diffraction; shock waves; structural phase transition; structural properties; graphite; density functional calculations; pressure techniques; x-ray diffraction
Citation Formats
Stavrou, Elissaios, Bagge-Hansen, Michael, Hammons, Joshua A., Nielsen, Michael H., Steele, Bradley A., Xiao, Penghao, Kroonblawd, Matthew P., Nelms, Matthew D., Shaw, William L., Bassett, Will, Bastea, Sorin, Lauderbach, Lisa M., Hodgin, Ralph L., Perez-Marty, Nicholas A., Singh, Saransh, Das, Pinaki, Li, Yuelin, Schuman, Adam, Sinclair, Nicholas, Fezzaa, Kamel, Deriy, Alex, Leininger, Lara D., and Willey, Trevor M. Detonation-induced transformation of graphite to hexagonal diamond. United States: N. p., 2020.
Web. doi:10.1103/physrevb.102.104116.
Stavrou, Elissaios, Bagge-Hansen, Michael, Hammons, Joshua A., Nielsen, Michael H., Steele, Bradley A., Xiao, Penghao, Kroonblawd, Matthew P., Nelms, Matthew D., Shaw, William L., Bassett, Will, Bastea, Sorin, Lauderbach, Lisa M., Hodgin, Ralph L., Perez-Marty, Nicholas A., Singh, Saransh, Das, Pinaki, Li, Yuelin, Schuman, Adam, Sinclair, Nicholas, Fezzaa, Kamel, Deriy, Alex, Leininger, Lara D., & Willey, Trevor M. Detonation-induced transformation of graphite to hexagonal diamond. United States. https://doi.org/10.1103/physrevb.102.104116
Stavrou, Elissaios, Bagge-Hansen, Michael, Hammons, Joshua A., Nielsen, Michael H., Steele, Bradley A., Xiao, Penghao, Kroonblawd, Matthew P., Nelms, Matthew D., Shaw, William L., Bassett, Will, Bastea, Sorin, Lauderbach, Lisa M., Hodgin, Ralph L., Perez-Marty, Nicholas A., Singh, Saransh, Das, Pinaki, Li, Yuelin, Schuman, Adam, Sinclair, Nicholas, Fezzaa, Kamel, Deriy, Alex, Leininger, Lara D., and Willey, Trevor M. Tue .
"Detonation-induced transformation of graphite to hexagonal diamond". United States. https://doi.org/10.1103/physrevb.102.104116. https://www.osti.gov/servlets/purl/1756096.
@article{osti_1756096,
title = {Detonation-induced transformation of graphite to hexagonal diamond},
author = {Stavrou, Elissaios and Bagge-Hansen, Michael and Hammons, Joshua A. and Nielsen, Michael H. and Steele, Bradley A. and Xiao, Penghao and Kroonblawd, Matthew P. and Nelms, Matthew D. and Shaw, William L. and Bassett, Will and Bastea, Sorin and Lauderbach, Lisa M. and Hodgin, Ralph L. and Perez-Marty, Nicholas A. and Singh, Saransh and Das, Pinaki and Li, Yuelin and Schuman, Adam and Sinclair, Nicholas and Fezzaa, Kamel and Deriy, Alex and Leininger, Lara D. and Willey, Trevor M.},
abstractNote = {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.},
doi = {10.1103/physrevb.102.104116},
journal = {Physical Review B},
number = 10,
volume = 102,
place = {United States},
year = {Tue Sep 29 00:00:00 EDT 2020},
month = {Tue Sep 29 00:00:00 EDT 2020}
}
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