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Title: Detonation-induced transformation of graphite to hexagonal diamond

Abstract

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.

Authors:
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  1. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
  2. Washington State Univ., Argonne, IL (United States). Inst. for Shock Physics, Dynamic Compression Sector (DCS)
  3. Washington State Univ., Argonne, IL (United States). Inst. for Shock Physics, Dynamic Compression Sector (DCS); Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
  4. Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Publication Date:
Research Org.:
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:
1669243
Alternate Identifier(s):
OSTI ID: 1680030
Report Number(s):
LLNL-JRNL-812742
Journal ID: ISSN 2469-9950; 1019619
Grant/Contract Number:  
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

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. 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., and Willey, Trevor M. Tue . "Detonation-induced transformation of graphite to hexagonal diamond". United States. doi:10.1103/physrevb.102.104116.
@article{osti_1669243,
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 = {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 = {2020},
month = {9}
}

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