Analysis of the High-Pressure High-Temperature (HPHT) growth of single crystal diamond

Dossa, Scott S.; Ponomarev, Ilya; Feigelson, Boris N.; Hainke, Marc; Kranert, Christian; Friedrich, Jochen; Derby, Jeffrey J.

doi:10.1016/j.jcrysgro.2023.127150

Analysis of the High-Pressure High-Temperature (HPHT) growth of single crystal diamond

Journal Article · Thu Feb 23 00:00:00 EST 2023 · Journal of Crystal Growth

DOI:https://doi.org/10.1016/j.jcrysgro.2023.127150· OSTI ID:2421613

^[1]; ^[2]; ^[3]; ^[4]; Kranert, Christian ^[5]; ^[5]; Derby, Jeffrey J. ^[6]

Univ. of Minnesota, Minneapolis, MN (United States); OSTI
Euclid Beamlabs, LLC. Beltsville, MD (United States)
Naval Research Lab. (NRL), Washington, DC (United States)
Ostbayerische Technische Hochschule Amberg-Weiden (OTH), Weiden (Germany); Fraunhofer Institute for Integrated System and Device Technology IISB, Erlangen (Germany)
Fraunhofer Institute for Integrated System and Device Technology IISB, Erlangen (Germany)
Univ. of Minnesota, Minneapolis, MN (United States)

A multi-scale, computational model is developed to describe the growth characteristics of single-crystal diamond in the High-Pressure, High-Temperature (HPHT) process. This model is the first to connect phase-change kinetics governing crystal growth to the continuum transport of carbon through the growth cell. Results show the importance of convective transport driven by buoyant flow in the metallic solvent, which increases the growth rate by nearly an order of magnitude over that obtained under diffusion alone. Parametric studies show how crystal growth may be kinetically-limited or transport-limited, depending on the value of the macroscopic kinetic coefficient. Estimating this kinetic coefficient from growth experiments yields a phase-change Damköhler number of unity, indicating a mixed regime where phase-change kinetics and transport are comparable and strongly coupled in this system. Mechanisms responsible for slowing growth as the crystal size increases are explained. Finally, supersaturation inhomogeneities along the facets of larger crystals are predicted, which may be relevant to solvent inclusion formation during growth.

View Accepted Manuscript (DOE)

Research Organization:: Euclid Beamlabs, LLC. Bolingbrook, IL (United States)

Sponsoring Organization:: USDOE; USDOE Office of Science (SC)

Grant/Contract Number:: SC0020604

OSTI ID:: 2421613

Alternate ID(s):: OSTI ID: 1959844

Journal Information:: Journal of Crystal Growth, Journal Name: Journal of Crystal Growth Vol. 609; ISSN 0022-0248

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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36 MATERIALS SCIENCE
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Analysis of the High-Pressure High-Temperature (HPHT) growth of single crystal diamond

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