A correlative four-dimensional study of phase-separation at the subnanoscale to nanoscale of a Ni–Al alloy

Elizaveta Y. Plotnikov; Zugang Mao; Sung Il Baik; Mehmet Yildirim; Yongsheng Li; Daniel Cecchetti; Ronald D. Noebe; Georges Martin; David N. Seidman

doi:10.1016/j.actamat.2019.03.016

A correlative four-dimensional study of phase-separation at the subnanoscale to nanoscale of a Ni–Al alloy

Elizaveta Y. Plotnikov, Zugang Mao, Sung Il Baik, Mehmet Yildirim, Yongsheng Li, Daniel Cecchetti, Ronald D. Noebe, Georges Martin, David N. Seidman^*

^*Corresponding author for this work

Materials Science and Engineering

Research output: Contribution to journal › Review article › peer-review

37 Scopus citations

Abstract

The temporal evolution of ordered γ′(L1 ₂ )-precipitates precipitating in a disordered γ(f.c.c.) matrix is studied in extensive detail for a Ni-12.5 Al at.% alloy aged at 823 K (550 °C), for times ranging from 0.08 to 4096 h. Three-dimensional atom-probe tomography (3-D APT) results are compared to monovacancy-mediated lattice-kinetic Monte Carlo (LKMC ₁ ) simulations on a rigid lattice, which include monovacancy-solute binding energies through 4th nearest-neighbor distances, for the same mean composition and aging temperature. The temporal evolution of the measured values of the mean radius, 〈R(t)〉, number density, aluminum supersaturations, and volume fraction of the γ′(L1 ₂ )-precipitates are compared to the predictions of a modified version of the Lifshitz-Slyozov diffusion-limited coarsening model due to Calderon, Voorhees et al. The resulting experimental rate constants are used to calculate the Gibbs interfacial free-energy between the γ(f.c.c.)- and γ′(L1 ₂ )-phases, which enter the model, using data from two thermodynamic databases, and its value is compared to all exiting values. The diffusion coefficient for coarsening is calculated utilizing the same rate-constants and compared to all archival diffusivities, not determined from coarsening experiments, and it is demonstrated to be the inter-diffusivity, D˜, of Ni and Al. The monovacancy-mediated LKMC ₁ simulation results are in good agreement with our 3-D APT data. The compositional interfacial width, for the {100}-interface, between the γ(f.c.c.)- and γ’(L1 ₂ )-phases, decreases continuously with increasing aging time and 〈R(t)〉, both for the 3-D APT results and the monovacancy-mediated LKMC ₁ simulations, in disagreement with an ansatz intrinsic to the trans-interface diffusion-controlled coarsening model, which assumes the exact opposite trend for binary alloys.

Original language	English (US)
Pages (from-to)	306-333
Number of pages	28
Journal	Acta Materialia
Volume	171
DOIs	https://doi.org/10.1016/j.actamat.2019.03.016
State	Published - Jun 1 2019

Funding

This research was supported by the National Science Foundation , Division of Materials Research grant number DMR-1610367 001 ; Profs. Diana Farkas and Gary Shiflet, grant monitors. Atom-probe tomography was performed at the Northwestern University Center for Atom-Probe Tomography (NUCAPT). The LEAP tomograph at NUCAPT was purchased and upgraded with grants from the NSF MRI ( DMR-0420532 ) and ONR-DURIP ( N00014–0400798 , N00014–0610539 , N00014–0910781 , N00014-1712870 ) programs. NUCAPT received support from the MRSEC program ( NSF DMR-1720139 ) at the Materials Research Center , the SHyNE Resource ( NSF ECCS-1542205 ), and the Initiative for Sustainability and Energy (ISEN) at Northwestern University. A portion of this research was performed at the DuPont-Northwestern-Dow Collaborative Access Team (DND-CAT) located at Sector 5 of the Advanced Photon Source (APS). DND-CAT is supported by E.I. DuPont de Nemours & Co. , The Dow Chemical Company , and Northwestern University . Use of the APS, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357 . Ms. Elizaveta Y. Plotnikov was initially supported by a W. P. Murphy Fellowship and then this NSF grant. Drs. Zugang Mao and Sung-Il Baik were partially supported by this NSF grant. Prof. Yongsheng Li was supported by the China Scholarship Council . Dr. Mehmet Yildirim was supported by the Scientific HR Development Program of the Middle East Technical University . The authors thank Dr. Nathalie Dupin for generous access to her Thermo-Calc data for the partial Ni Al phase diagram. Additionally, Prof. Peter Voorhees is thanked for stimulating and enlightening discussions and Prof. Pascal Bellon is thanked for important discussions concerning correlated diffusion effects. Dr. C. E. Campbell is thanked for discussion for Ni mobility databases. Mr. Pavithran Maris (visiting undergraduate scholar) is thanked for helping with atom-probe tomography experiments during the summer of 2013; Dr. John Thompson for calculating the AV PSD and ; and Ms. Yanyan (Ashley) Huang for assisting in performing Vickers microhardness measurements. This research was supported by the National Science Foundation, Division of Materials Research grant number DMR-1610367 001; Profs. Diana Farkas and Gary Shiflet, grant monitors. Atom-probe tomography was performed at the Northwestern University Center for Atom-Probe Tomography (NUCAPT). The LEAP tomograph at NUCAPT was purchased and upgraded with grants from the NSF MRI (DMR-0420532) and ONR-DURIP (N00014–0400798, N00014–0610539, N00014–0910781, N00014-1712870) programs. NUCAPT received support from the MRSEC program (NSF DMR-1720139) at the Materials Research Center, the SHyNE Resource (NSF ECCS-1542205), and the Initiative for Sustainability and Energy (ISEN) at Northwestern University. A portion of this research was performed at the DuPont-Northwestern-Dow Collaborative Access Team (DND-CAT) located at Sector 5 of the Advanced Photon Source (APS). DND-CAT is supported by E.I. DuPont de Nemours & Co., The Dow Chemical Company, and Northwestern University. Use of the APS, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. Ms. Elizaveta Y. Plotnikov was initially supported by a W. P. Murphy Fellowship and then this NSF grant. Drs. Zugang Mao and Sung-Il Baik were partially supported by this NSF grant. Prof. Yongsheng Li was supported by the China Scholarship Council. Dr. Mehmet Yildirim was supported by the Scientific HR Development Program of the Middle East Technical University. The authors thank Dr. Nathalie Dupin for generous access to her Thermo-Calc data for the partial Ni[sbnd]Al phase diagram. Additionally, Prof. Peter Voorhees is thanked for stimulating and enlightening discussions and Prof. Pascal Bellon is thanked for important discussions concerning correlated diffusion effects. Dr. C. E. Campbell is thanked for discussion for Ni mobility databases. Mr. Pavithran Maris (visiting undergraduate scholar) is thanked for helping with atom-probe tomography experiments during the summer of 2013; Dr. John Thompson for calculating the AV PSD and F(ϕγ'); and Ms. Yanyan (Ashley) Huang for assisting in performing Vickers microhardness measurements.

Keywords

Atom-probe tomography
Lifshit-Slyozov (LS) model
Monovacancy-mediated lattice kinetic Monte Carlo
Nickel-based superalloys
Temporal evolution

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Ceramics and Composites
Polymers and Plastics
Metals and Alloys

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10.1016/j.actamat.2019.03.016

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title = "A correlative four-dimensional study of phase-separation at the subnanoscale to nanoscale of a Ni–Al alloy",

abstract = " The temporal evolution of ordered γ′(L1 2 )-precipitates precipitating in a disordered γ(f.c.c.) matrix is studied in extensive detail for a Ni-12.5 Al at.% alloy aged at 823 K (550 °C), for times ranging from 0.08 to 4096 h. Three-dimensional atom-probe tomography (3-D APT) results are compared to monovacancy-mediated lattice-kinetic Monte Carlo (LKMC 1 ) simulations on a rigid lattice, which include monovacancy-solute binding energies through 4th nearest-neighbor distances, for the same mean composition and aging temperature. The temporal evolution of the measured values of the mean radius, 〈R(t)〉, number density, aluminum supersaturations, and volume fraction of the γ′(L1 2 )-precipitates are compared to the predictions of a modified version of the Lifshitz-Slyozov diffusion-limited coarsening model due to Calderon, Voorhees et al. The resulting experimental rate constants are used to calculate the Gibbs interfacial free-energy between the γ(f.c.c.)- and γ′(L1 2 )-phases, which enter the model, using data from two thermodynamic databases, and its value is compared to all exiting values. The diffusion coefficient for coarsening is calculated utilizing the same rate-constants and compared to all archival diffusivities, not determined from coarsening experiments, and it is demonstrated to be the inter-diffusivity, D˜, of Ni and Al. The monovacancy-mediated LKMC 1 simulation results are in good agreement with our 3-D APT data. The compositional interfacial width, for the {100}-interface, between the γ(f.c.c.)- and γ{\textquoteright}(L1 2 )-phases, decreases continuously with increasing aging time and 〈R(t)〉, both for the 3-D APT results and the monovacancy-mediated LKMC 1 simulations, in disagreement with an ansatz intrinsic to the trans-interface diffusion-controlled coarsening model, which assumes the exact opposite trend for binary alloys.",

keywords = "Atom-probe tomography, Lifshit-Slyozov (LS) model, Monovacancy-mediated lattice kinetic Monte Carlo, Nickel-based superalloys, Temporal evolution",

author = "Plotnikov, {Elizaveta Y.} and Zugang Mao and Baik, {Sung Il} and Mehmet Yildirim and Yongsheng Li and Daniel Cecchetti and Noebe, {Ronald D.} and Georges Martin and Seidman, {David N.}",

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T1 - A correlative four-dimensional study of phase-separation at the subnanoscale to nanoscale of a Ni–Al alloy

AU - Plotnikov, Elizaveta Y.

AU - Mao, Zugang

AU - Baik, Sung Il

AU - Yildirim, Mehmet

AU - Li, Yongsheng

AU - Cecchetti, Daniel

AU - Noebe, Ronald D.

AU - Martin, Georges

AU - Seidman, David N.

PY - 2019/6/1

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N2 - The temporal evolution of ordered γ′(L1 2 )-precipitates precipitating in a disordered γ(f.c.c.) matrix is studied in extensive detail for a Ni-12.5 Al at.% alloy aged at 823 K (550 °C), for times ranging from 0.08 to 4096 h. Three-dimensional atom-probe tomography (3-D APT) results are compared to monovacancy-mediated lattice-kinetic Monte Carlo (LKMC 1 ) simulations on a rigid lattice, which include monovacancy-solute binding energies through 4th nearest-neighbor distances, for the same mean composition and aging temperature. The temporal evolution of the measured values of the mean radius, 〈R(t)〉, number density, aluminum supersaturations, and volume fraction of the γ′(L1 2 )-precipitates are compared to the predictions of a modified version of the Lifshitz-Slyozov diffusion-limited coarsening model due to Calderon, Voorhees et al. The resulting experimental rate constants are used to calculate the Gibbs interfacial free-energy between the γ(f.c.c.)- and γ′(L1 2 )-phases, which enter the model, using data from two thermodynamic databases, and its value is compared to all exiting values. The diffusion coefficient for coarsening is calculated utilizing the same rate-constants and compared to all archival diffusivities, not determined from coarsening experiments, and it is demonstrated to be the inter-diffusivity, D˜, of Ni and Al. The monovacancy-mediated LKMC 1 simulation results are in good agreement with our 3-D APT data. The compositional interfacial width, for the {100}-interface, between the γ(f.c.c.)- and γ’(L1 2 )-phases, decreases continuously with increasing aging time and 〈R(t)〉, both for the 3-D APT results and the monovacancy-mediated LKMC 1 simulations, in disagreement with an ansatz intrinsic to the trans-interface diffusion-controlled coarsening model, which assumes the exact opposite trend for binary alloys.

AB - The temporal evolution of ordered γ′(L1 2 )-precipitates precipitating in a disordered γ(f.c.c.) matrix is studied in extensive detail for a Ni-12.5 Al at.% alloy aged at 823 K (550 °C), for times ranging from 0.08 to 4096 h. Three-dimensional atom-probe tomography (3-D APT) results are compared to monovacancy-mediated lattice-kinetic Monte Carlo (LKMC 1 ) simulations on a rigid lattice, which include monovacancy-solute binding energies through 4th nearest-neighbor distances, for the same mean composition and aging temperature. The temporal evolution of the measured values of the mean radius, 〈R(t)〉, number density, aluminum supersaturations, and volume fraction of the γ′(L1 2 )-precipitates are compared to the predictions of a modified version of the Lifshitz-Slyozov diffusion-limited coarsening model due to Calderon, Voorhees et al. The resulting experimental rate constants are used to calculate the Gibbs interfacial free-energy between the γ(f.c.c.)- and γ′(L1 2 )-phases, which enter the model, using data from two thermodynamic databases, and its value is compared to all exiting values. The diffusion coefficient for coarsening is calculated utilizing the same rate-constants and compared to all archival diffusivities, not determined from coarsening experiments, and it is demonstrated to be the inter-diffusivity, D˜, of Ni and Al. The monovacancy-mediated LKMC 1 simulation results are in good agreement with our 3-D APT data. The compositional interfacial width, for the {100}-interface, between the γ(f.c.c.)- and γ’(L1 2 )-phases, decreases continuously with increasing aging time and 〈R(t)〉, both for the 3-D APT results and the monovacancy-mediated LKMC 1 simulations, in disagreement with an ansatz intrinsic to the trans-interface diffusion-controlled coarsening model, which assumes the exact opposite trend for binary alloys.

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A correlative four-dimensional study of phase-separation at the subnanoscale to nanoscale of a Ni–Al alloy

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