Skip to main content Accessibility help
×
Home

An Automated Computational Approach for Complete In-Plane Compositional Interface Analysis by Atom Probe Tomography

  • Zirong Peng (a1), Yifeng Lu (a2), Constantinos Hatzoglou (a3), Alisson Kwiatkowski da Silva (a1), Francois Vurpillot (a3), Dirk Ponge (a1), Dierk Raabe (a1) and Baptiste Gault (a1)...

Abstract

We introduce an efficient, automated computational approach for analyzing interfaces within atom probe tomography datasets, enabling quantitative mapping of their thickness, composition, as well as the Gibbsian interfacial excess of each solute. Detailed evaluation of an experimental dataset indicates that compared with the composition map, the interfacial excess map is more robust and exhibits a relatively higher resolution to reveal compositional variations. By field evaporation simulations with a predefined emitter mimicking the experimental dataset, the impact of trajectory aberrations on the measurement of the thickness, composition, and interfacial excess of the decorated interface are systematically analyzed and discussed.

Copyright

Corresponding author

*Author for correspondence: Yifeng Lu, E-mail: lu@dbs.ifi.lmu.de; Baptiste Gault, E-mail: b.gault@mpie.de

References

Hide All
Blavette, D, Vurpillot, F, Pareige, P & Menand, A (2001). A model accounting for spatial overlaps in 3D atom-probe microscopy. Ultramicroscopy 89, 145153.
Cairney, JM, Rajan, K, Haley, D, Gault, B, Bagot, PAJ, Choi, P-P, Felfer, PJ, Ringer, SP, Marceau, RKW & Moody, MP (2015). Mining information from atom probe data. Ultramicroscopy 159, 324337.
Cantwell, PR, Ma, S, Bojarski, SA, Rohrer, GS & Harmer, MP (2016). Expanding time—temperature-transformation (TTT) diagrams to interfaces: A new approach for grain boundary engineering. Acta Mater 106, 7886.
Cantwell, PR, Tang, M, Dillon, SJ, Luo, J, Rohrer, GS & Harmer, MP (2014). Grain boundary complexions. Acta Mater 62, 148.
Chellali, MR, Balogh, Z, Bouchikhaoui, H, Schlesiger, R, Stender, P, Zheng, L & Schmitz, G (2012). Triple junction transport and the impact of grain boundary width in nanocrystalline Cu. Nano Lett 12, 34483454.
Chookajorn, T, Murdoch, HA & Schuh, CA (2012). Design of stable nanocrystalline alloys. Science 337, 951 LP-951954.
De Geuser, F, Lefebvre, W, Danoix, F, Vurpillot, F, Forbord, B & Blavette, D (2007). An improved reconstruction procedure for the correction of local magnification effects in three-dimensional atom-probe. Surf Interface Anal 39, 268272.
Dillon, SJ, Tang, M, Carter, WC & Harmer, MP (2007). Complexion: A new concept for kinetic engineering in materials science. Acta Mater 55, 62086218.
Ester, M, Kriegel, H-P, Sander, J & Xu, X (1996). A density-based algorithm for discovering clusters in large spatial databases with noise. Proceedings of the Second International Conference on Knowledge Discovery and Data Mining 226231.
Felfer, P, Ceguerra, A, Ringer, S & Cairney, J (2013). Applying computational geometry techniques for advanced feature analysis in atom probe data. Ultramicroscopy 132, 100106.
Felfer, P, Scherrer, B, Demeulemeester, J, Vandervorst, W & Cairney, JM (2015). Mapping interfacial excess in atom probe data. Ultramicroscopy 159, 438444.
Gault, B, Moody, MP, Cairney, JM & Ringer, SP (2012). Atom Probe Microscopy. New York, NY: Springer New York.
Gault, B, Moody, MP, de Geuser, F, Haley, D, Stephenson, LT & Ringer, SP (2009). Origin of the spatial resolution in atom probe microscopy. Appl Phys Lett 95, 034103.
Gibson, MA & Schuh, CA (2015). Segregation-induced changes in grain boundary cohesion and embrittlement in binary alloys. Acta Mater 95, 145155.
Gruber, M, Vurpillot, F, Bostel, A & Deconihout, B (2011). Field evaporation: A kinetic Monte Carlo approach on the influence of temperature. Surf Sci 605, 20252031.
Hagége, S, Carter, CB, Cosandey, F & Sass, SL (1982). The variation of grain boundary structural width with misorientation angle and boundary plane. Philos Mag A 45, 723740.
Harmer, MP (2011). The phase behavior of interfaces. Science 332, 182183.
Hatzoglou, C, Radiguet, B & Pareige, P (2017). Experimental artefacts occurring during atom probe tomography analysis of oxide nanoparticles in metallic matrix: Quantification and correction. J Nucl Mater 492, 279291.
Herbig, M, Raabe, D, Li, YJ, Choi, P, Zaefferer, S & Goto, S (2014). Atomic-scale quantification of grain boundary segregation in nanocrystalline material. Phys Rev Lett 112, 126103.
Hofmann, S (2013). Auger- and X-Ray Photoelectron Spectroscopy in Materials Science. Berlin: Springer.
Keast, VJ & Williams, DB (2001). Grain boundary chemistry. Curr Opin Solid State Mater Sci 5, 2330.
Kelly, TF & Miller, MK (2007). Invited review article: Atom probe tomography. Rev Sci Instrum 78, 031101.
Khalajhedayati, A, Pan, Z & Rupert, TJ (2016). Manipulating the interfacial structure of nanomaterials to achieve a unique combination of strength and ductility. Nat Commun 7, 10802.
Kirchheim, R (2002). Grain coarsening inhibited by solute segregation. Acta Mater 50, 413419.
Kirchheim, R (2007). Reducing grain boundary, dislocation line and vacancy formation energies by solute segregation. I. Theoretical background. Acta Mater 55, 51295138.
Krakauer, BW & Seidman, DN (1993). Absolute atomic-scale measurements of the Gibbsian interfacial excess of solute at internal interfaces. Phys Rev B 48, 67246727.
Kundu, A, Asl, KM, Luo, J & Harmer, MP (2013). Identification of a bilayer grain boundary complexion in Bi-doped Cu. Scr Mater 68, 146149.
Kuzmina, M, Herbig, M, Ponge, D, Sandlobes, S & Raabe, D (2015). Linear complexions: Confined chemical and structural states at dislocations. Science 349, 10801083.
Kuzmina, M, Ponge, D & Raabe, D (2015). Grain boundary segregation engineering and austenite reversion turn embrittlement into toughness: Example of a 9 wt.% medium Mn steel. Acta Mater 86, 182192.
Kwiatkowski da Silva, A, Ponge, D, Peng, Z, Inden, G, Lu, Y, Breen, A, Gault, B & Raabe, D (2018). Phase nucleation through confined spinodal fluctuations at crystal defects evidenced in Fe-Mn alloys. Nat Commun 9, 1137.
Langmuir, I (1918). The adsorption of gases on plane surfaces of glass. J Am Chem Soc 40, 13611403.
Larson, D, Prosa, T & Kelly, T (2013 a). Local Electrode Atom Probe Tomography—A User's Guide. New York: Springer.
Larson, DJ, Gault, B, Geiser, BP, De Geuser, F & Vurpillot, F (2013 b). Atom probe tomography spatial reconstruction: Status and directions. Curr Opin Solid State Mater Sci 17, 236247.
Larson, DJ, Prosa, TJ, Geiser, BP & Egelhoff, WF (2011). Effect of analysis direction on the measurement of interfacial mixing in thin metal layers with atom probe tomography. Ultramicroscopy 111, 506511.
Lejcek, P (2010). Grain Boundary Segregation in Metals. Berlin: Springer.
Lejček, P, Šob, M & Paidar, V (2017). Interfacial segregation and grain boundary embrittlement: An overview and critical assessment of experimental data and calculated results. Prog Mater Sci 87, 83139.
Luo, J, Cheng, H, Asl, KM, Kiely, CJ & Harmer, MP (2011). The role of a bilayer interfacial phase on liquid metal embrittlement. Science 333, 17301733.
Marquis, EA, Geiser, BP, Prosa, TJ & Larson, DJ (2011). Evolution of tip shape during field evaporation of complex multilayer structures. J Microsc 241, 225233.
Marquis, EA & Hyde, JM (2010). Applications of atom-probe tomography to the characterisation of solute behaviours. Mater Sci, Eng R, Rep 69, 3762.
Marquis, EA & Vurpillot, F (2008). Chromatic aberrations in the field evaporation behavior of small precipitates. Microsc Microanal 14, 561570.
Martin, AJ, Weng, W, Zhu, Z, Loesing, R, Shaffer, J & Katnani, A (2016). Cross-sectional atom probe tomography sample preparation for improved analysis of fins on SOI. Ultramicroscopy 161, 105109.
Maugis, P & Hoummada, K (2016). A methodology for the measurement of the interfacial excess of solute at a grain boundary. Scr Mater 120, 9093.
McLean, D (1957). Grain Boundaries in Metals. Oxford: Clarendon Press.
Miller, MK & Forbes, RG (2014). Atom-Probe Tomography. Boston, MA: Springer US.
Miller, MK & Hetherington, MG (1991). Local magnification effects in the atom probe. Surf Sci 246, 442449.
Mistler, RE & Coble, RL (1974). Grain-boundary diffusion and boundary widths in metals and ceramics. J Appl Phys 45, 15071509.
Mogensen, M, Sammes, NM & Tompsett, GA (2000). Physical, chemical and electrochemical properties of pure and doped ceria. Solid State Ionics 129, 6394.
Pearson, K (1901). LIII. On lines and planes of closest fit to systems of points in space. Philos Mag J Sci 2, 559572.
Peng, Z, Rohwerder, M, Choi, P-P, Gault, B, Meiners, T, Friedrichs, M, Kreilkamp, H, Klocke, F & Raabe, D (2017). Atomic diffusion induced degradation in bimetallic layer coated cemented tungsten carbide. Corros Sci 120, 113.
Pennycook, SJ & Nellist, PD (Eds.) (2011). Scanning Transmission Electron Microscopy: Imaging and Analysis. New York, NY: Springer New York.
Prokoshkina, D, Esin, VA, Wilde, G & Divinski, SV (2013). Grain boundary width, energy and self-diffusion in nickel: Effect of material purity. Acta Mater 61, 51885197.
Raabe, D, Herbig, M, Sandlöbes, S, Li, Y, Tytko, D, Kuzmina, M, Ponge, D & Choi, P-P (2014). Grain boundary segregation engineering in metallic alloys: A pathway to the design of interfaces. Curr Opin Solid State Mater Sci 18, 253261.
Ramgopal, T, Gouma, PI & Frankel, GS (2002). Role of grain-boundary precipitates and solute-depleted zone on the intergranular corrosion of aluminum alloy 7150. Corrosion 58, 687697.
Rupert, TJ (2016). The role of complexions in metallic nano-grain stability and deformation. Curr Opin Solid State Mater Sci 20, 257267.
Seah, MP (1980). Grain boundary segregation. J Phys F Met Phys 10, 10431064.
Stephenson, LT, Moody, MP, Liddicoat, PV & Ringer, SP (2007). New techniques for the analysis of fine-scaled clustering phenomena within atom probe tomography (APT) data. Microsc Microanal 13, 448463.
Talbot, E, Larde, R, Gourbilleau, F, Dufour, C & Pareige, P (2009). Si nanoparticles in SiO2: An atomic scale observation for optimization of optical devices. Epl 87, 26004.
Thompson, K, Lawrence, D, Larson, DJ, Olson, JD, Kelly, TF & Gorman, B (2007). In situ site-specific specimen preparation for atom probe tomography. Ultramicroscopy 107, 131139.
Thuvander, M & Andren, HO (2000). APFIM studies of grain and phase boundaries: A review. Mater Charact 44, 87100.
Vurpillot, F, Bostel, A & Blavette, D (2000). Trajectory overlaps and local magnification in three-dimensional atom probe. Appl Phys Lett 76, 31273129.
Vurpillot, F, Bostel, A, Cadel, E & Blavette, D (2000). The spatial resolution of 3D atom probe in the investigation of single-phase materials. Ultramicroscopy 84, 213224.
Vurpillot, F, Gault, B, Geiser, BP & Larson, DJ (2013). Reconstructing atom probe data: A review. Ultramicroscopy 132, 1930.
Vurpillot, F, Larson, D & Cerezo, A (2003). Improvement of multilayer analyses with a three-dimensional atom probe. Surf Interface Anal 36, 552558.
Williams, DB & Carter, CB (2009). Transmission Electron Microscopy: A Textbook for Materials Science. Boston, MA: Springer US.
Yao, L, Ringer, SP, Cairney, JM & Miller, MK (2013). The anatomy of grain boundaries: Their structure and atomic-level solute distribution. Scr Mater 69, 622625.

Keywords

Metrics

Altmetric attention score

Full text views

Total number of HTML views: 0
Total number of PDF views: 0 *
Loading metrics...

Abstract views

Total abstract views: 0 *
Loading metrics...

* Views captured on Cambridge Core between <date>. This data will be updated every 24 hours.

Usage data cannot currently be displayed