Reuse & Permissions

It is not necessary to obtain permission to reuse this article or its components as it is available under the terms of the Creative Commons Attribution 4.0 International license. This license permits unrestricted use, distribution, and reproduction in any medium, provided attribution to the author(s) and the published article's title, journal citation, and DOI are maintained. Please note that some figures may have been included with permission from other third parties. It is your responsibility to obtain the proper permission from the rights holder directly for these figures.

Export citation

Export citation

Choose format for download:

Download Citation
  • Open Access

Orientation-dependent stress evolution in diamond abrasive grains under directional loading

G. Brune1, T. Tsagkir Dereli2, L. Olschewski1, N. F. Lopes Dias3, M. Kipp2, D. Biermann2, and J. Debus1,4,*

  • *Contact author: joerg.debus@tu-dortmund.de

Phys. Rev. Research 8, 023089 – Published 29 April, 2026

DOI: https://doi.org/10.1103/nfgy-gn6j

Abstract

Understanding the response of diamond abrasive grains to mechanical loading remains crucial for optimizing their performance in precision manufacturing. In that context, the role of the initial residual stress and crystallographic orientation of the grains is poorly understood. We investigate synthetic diamond grains in two different grit sizes (D126, D252) subjected to directional loading up to 100 N using x-ray diffraction and spatially resolved Raman spectroscopy. Small grains with preferential (111) orientation show an unexpected stress evolution under contact pressures up to 16 GPa, with Raman shifts increasing from 1331.3 to 1333.0cm−1, indicating an enhanced local compressive stress state at the probed surface regions. Conversely, large (311)-oriented grains exhibit a heterogeneous stress development with Raman shifts varying from 1331.5 to 1332.6cm−1, including regions that become more tensile (or less compressive) relative to their initial state. The relationship between the relative Raman shift and a spatially weighted contact pressure follows an empirical power law δE∝pc′α with opposite, orientation-dependent exponents: α≈+0.25 for (111) grains showing progressive compression enhancement and α≈−0.35 for (311) grains exhibiting a trend toward tensile stress components with increasing load. Molecular dynamics simulations reveal that the Schmid factor governs this orientation-dependent response: The low Schmid factor (0.27) for [111] loading restricts dislocation glide, leading to stress retention with high elastic recovery, while the high Schmid factor (0.45) for [311] loading facilitates plastic flow and stress relaxation despite lower peak stress. These findings demonstrate that stress evolution in diamond under directional loading is controlled by the geometric relationship between loading direction and slip systems, providing mechanistic insights for diamond tool design.

View figure in article

Physics Subject Headings (PhySH)

Article Text

Supplemental Material

References (50)

  1. E. Brinksmeier, Y. Multlugünes, F. Klocke, J. Aurich, P. Shore, and H. Ohmori, Ultra-precision grinding, CIRP Ann. Manuf. Technol. 59, 652 (2010).
  2. P. Krajnik, F. Hashimoto, B. Karpuschewski, E. da Silva, and D. Axinte, Grinding and fine finishing of future automotive powertrain components, CIRP Ann. Manuf. Technol. 70, 589 (2021).
  3. R. Komanduri and M. Shaw, Wear of synthetic diamond when grinding ferrous metals, Nature (London) 255, 211 (1975).
  4. S. Shimada, H. Tanaka, M. Higuchi, T. Yamaguchi, S. Honda, and K. Obata, Thermo-chemical wear mechanism of diamond tool in machining of ferrous metals, CIRP Ann. 53, 57 (2004).
  5. L. Pastewka, S. Moser, P. Gumbsch, and M. Moseler, Anisotropic mechanical amorphization drives wear in diamond, Nat. Mater. 10, 34 (2011).
  6. Q. Bai, Z. Wang, Y. Guo, J. Chen, and Y. Shang, Graphitization behavior of single crystal diamond for the application in nano-metric cutting, Curr. Nanosci. 14, 377 (2018).
  7. V. Howes, The graphitization of diamond, Proc. Phys. Soc. 80, 648 (1962).
  8. R. Khmelnitsky and A. Gippius, Transformation of diamond to graphite under heat treatment at low pressure, Phase Transitions 87, 175 (2014).
  9. H. Chacham and L. Kleinman, Instabilities in diamond under high shear stress, Phys. Rev. Lett. 85, 4904 (2000).
  10. V. Blank, M. Popov, G. Pivovarov, N. Lvova, and S. Terentev, Mechanical properties of different types of diamond, Diam. Relat. Mater. 8, 1531 (1999).
  11. H. Boppart, J. van Straaten, and I. F. Silvera, Raman spectra of diamond at high pressures, Phys. Rev. B 32, 1423 (1985).
  12. M. Grimsditch, E. Anastassakis, and M. Cardona, Effect of uniaxial stress on the zone-center optical phonon of diamond, Phys. Rev. B 18, 901 (1978).
  13. S. S. Mitra, O. Brafman, W. B. Daniels, and R. K. Crawford, Pressure-induced phonon frequency shifts measured by Raman scattering, Phys. Rev. 186, 942 (1969).
  14. E. Whalley, A. Lavergne, and P. T. T. Wong, Hydrostatic optical cell with glass windows for 25 kilobar, Rev. Sci. Instrum. 47, 845 (1976).
  15. F. van Bouwelen and W. van Enckevort, A simple model to describe the anisotropy of diamond polishing, Diam. Relat. Mater. 8, 840 (1999).
  16. H. N. Li, T. B. Yu, L. D. Zhu, and W. S. Wang, Analytical modeling of grinding-induced subsurface damage in monocrystalline silicon, Mater. Des. 130, 250 (2017).
  17. H. Mohrbacher, K. Van Acker, B. Blanpain, P. Van Houtte, and J.-P. Celis, Comparative measurement of residual stress in diamond coatings by low-incident-beam-angle-diffraction and micro-Raman spectroscopy, J. Mater. Res. 11, 1776 (1996).
  18. N. I. Alekseyev, A. P. Broyko, I. K. Khmelnitskiy, A. V. Kolyadin, V. M. Aivazyan, and I. V. Oreshko, Temperature- and pressure-reducing regimes in the growth cell of HPHT diamonds, optimal for preserving crystal integrity after growth completion, J. Carbon Res. 9, 52 (2023).
  19. R. C. Burns, A. I. Chumakov, S. H. Connell, D. Dube, H. P. Godfried, J. O. Hansen, J. Härtwig, J. Hoszowska, F. Masiello, L. Mkhonza, M. Rebak, A. Rommevaux, R. Setshedi, and P. Van Vaerenbergh, HPHT growth and x-ray characterization of high-quality type IIa diamond, J. Phys.: Condens. Matter 21, 364224 (2009).
  20. R. H. Telling, C. J. Pickard, M. C. Payne, and J. E. Field, Theoretical strength and cleavage of diamond, Phys. Rev. Lett. 84, 5160 (2000).
  21. S. Ramaseshan, The cleavage properties of diamond, Proc. Indian Acad. Sci. 24, 114 (1946).
  22. S. G. Roberts, P. D. Warren, and P. B. Hirsch, Hardness anisotropies: A new approach, Mater. Sci. Eng. A 105-106, 19 (1988).
  23. Q. Wan, L. Zou, S. Liu, T. Wang, S. Chen, and Y. Huang, Investigation on abrasive wear mechanism of single diamond grain in flexible scribing titanium alloy, Diam. Relat. Mater. 120, 108631 (2021).
  24. C. Dai, W. Ding, J. Xu, Y. Fu, and T. Yu, Influence of grain wear on material removal behavior during grinding nickel-based superalloy with a single diamond grain, Int. J. Mach. Tools Manuf. 113, 49 (2017).
  25. W. Li, X. Hu, G. Long, A. Shang, and B. Guo, Grain wear properties and grinding performance of porous diamond grinding wheels, Wear 530-531, 204993 (2023).
  26. S. Buhl, C. Leinenbach, R. Spolenak, and K. Wegener, Failure mechanisms and cutting characteristics of brazed single diamond grains, Int. J. Adv. Manuf. Technol. 66, 775 (2013).
  27. J. Angus, Diamond synthesis by chemical vapor deposition: The early years, Diam. Relat. Mater. 49, 77 (2014).
  28. T. Schuelke and T. Grotjohn, Diamond polishing, Diam. Relat. Mater. 32, 17 (2013).
  29. P. Mativenga, J. Schoop, I. Jawahir, D. Biermann, M. Kipp, Z. Kilic, T. Özel, and R. Wertheim, Engineered design of cutting tool material, geometry, and coating for optimal performance and customized applications: A review, CIRP J. Manuf. Sci. Technol. 52, 212 (2024).
  30. C. R. Das, H. C. Hsu, S. Dhara, A. K. Bhaduri, B. Raj, L. C. Chen, K. H. Chen, S. K. Albert, A. Ray, and Y. Tzeng, A complete Raman mapping of phase transitions in Si under indentation, J. Raman Spectrosc. 41, 334 (2010).
  31. F. Bianco, K. Fedus, F. Enrichi, R. Pierobon, M. Cazanelli, M. Ghulinyan, G. Pucker, and L. Pavesi, Two-dimensional micro-Raman mapping of stress and strain distributions in strained silicon waveguides, Semicond. Sci. Technol. 27, 085009 (2012).
  32. T. Wermelinger, C. Borgia, C. Solenthaler, and R. Spolenak, 3-D Raman spectroscopy measurements of the symmetry of residual stress fields in plastically deformed sapphire crystals, Acta Mater. 55, 4657 (2007).
  33. J. W. Ager, D. K. Veirs, and G. M. Rosenblatt, Spatially resolved Raman studies of diamond films grown by chemical vapor deposition, Phys. Rev. B 43, 6491 (1991).
  34. C. Pickard, T. Davis, W. Wang, and J. Steeds, Mapping crystalline quality in diamond films by micro-Raman spectroscopy, Diam. Relat. Mater. 7, 238 (1998).
  35. H. Moldenhauer, M. Bayer, J. Debus, A. Nikolov, and A. Brümmer, Raman scattering study of micrometer-sized spots of magnetite and hematite formed at 18CrNiMo7-6 screw rotor surfaces due to liquid-free, unsynchronized operation, IOP Conf. Ser.: Mater. Sci. Eng. 425, 012016 (2018).
  36. S. S. Dossa, I. Ponomarev, B. N. Feigelson, M. Hainke, C. Kranert, J. Friedrich, and J. J. Derby, Analysis of the high-pressure high-temperature (HPHT) growth of single crystal diamond, J. Cryst. Growth 609, 127150 (2023).
  37. R. Krishnan, Raman spectrum of diamond, Nature (London) 155, 171 (1945).
  38. D. Braukmann, V. P. Popov, E. R. Glaser, T. A. Kennedy, M. Bayer, and J. Debus, Anisotropies in the linear polarization of vacancy photoluminescence in diamond induced by crystal rotations and strong magnetic fields, Phys. Rev. B 97, 125426 (2018).
  39. D. Braukmann, E. R. Glaser, T. A. Kennedy, M. Bayer, and J. Debus, Circularly polarized zero-phonon transitions of vacancies in diamond at high magnetic fields, Phys. Rev. B 97, 195448 (2018).
  40. C. Thomann, A. Wittrock, A. Wittig, N. Dias, D. Stangier, W. Tillmann, and J. Debus, Tuning of solid-to-solid structural transitions in amorphous carbon films by optical pumping and chemical modification, APL Mater. 11, 031106 (2023).
  41. M. H. Grimsditch and A. K. Ramdas, Brillouin scattering in diamond, Phys. Rev. B 11, 3139 (1975).
  42. W. Borer, S. Mitra, and K. Namjoshi, Line shape and temperature dependence of the first order Raman spectrum of diamond, Solid State Commun. 9, 1377 (1971).
  43. A. K. Arora, T. Ravindran, G. Reddy, A. K. Sikder, and D. Misra, Nature of confinement of phonons in nanocrystalline CVD diamond, Diam. Relat. Mater. 10, 1477 (2001).
  44. S. Osswald, V. N. Mochalin, M. Havel, G. Yushin, and Y. Gogotsi, Phonon confinement effects in the Raman spectrum of nanodiamond, Phys. Rev. B 80, 075419 (2009).
  45. A. C. Ferrari and J. Robertson, Interpretation of Raman spectra of disordered and amorphous carbon, Phys. Rev. B 61, 14095 (2000).
  46. J. Robertson, Amorphous carbon, Adv. Phys. 35, 317 (1986).
  47. See Supplemental Material at http://link.aps.org/supplemental/10.1103/nfgy-gn6j for the FWHM maps and contact pressure distributions.
  48. A. P. Thompson, H. M. Aktulga, R. Berger, D. S. Bolintineanu, W. M. Brown, P. S. Crozier, P. J. in ’t Veld, A. Kohlmeyer, S. G. Moore, T. D. Nguyen, R. Shan, M. J. Stevens, J. Tranchida, C. Trott, and S. J. Plimpton, LAMMPS—A flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales, Comput. Phys. Commun. 271, 108171 (2022).
  49. J. Tersoff, Modeling solid-state chemistry: Interatomic potentials for multicomponent systems, Phys. Rev. B 39, 5566 (1989).
  50. J. Debus, Orientation-dependent stress evolution in diamond abrasive grains under directional loading, Zenodo (2026), https://doi.org/10.5281/zenodo.18481366.

Outline

Information

Sign In to Your Journals Account

Filter

Filter

Article Lookup

Enter a citation