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  • 1. Order onlineBuy this publication >>
    Barrirero, Jenifer
    Linköping University, Department of Physics, Chemistry and Biology, Nanostructured Materials. Linköping University, Faculty of Science & Engineering. Department of Material Science, Saarland University, Saarbrücken, Germany.
    Eutectic Modification of Al-Si casting alloys2019Doctoral thesis, comprehensive summary (Other academic)
    Abstract [en]

    Aluminum alloys with silicon as the major alloying element are the most widely used aluminum casting alloys. The eutectic phase in these alloys is formed by hard and brittle silicon plates in an aluminum matrix. Such silicon plates can act as crack propagation paths deteriorating the toughness of the material. To enhance ductility, silicon can be modified to a coral-like microstructure by addition of a modifying agent. Amongst the elements proposed as modifiers, only strontium, sodium and europium induce a plate-tocoral transition, while others such as ytterbium, only refine the silicon plates. The exact mechanism for the remarkable plate-to-coral change, and the reason why certain elements only refine the structure, is still not completely understood.

    In this investigation, atom probe tomography and transmission electron microscopy were used to analyze and compare the crystal structure and the distribution of solute atoms in silicon at the atomic level. An unmodified alloy and alloys modified by strontium, sodium, europium and ytterbium were studied. Elements inducing silicon plate-to-coral transition were found to contain nanometer sized clusters at the defects in silicon with stoichiometries corresponding to compounds formed at the ternary eutectic reaction of each system. In contrast, the addition of ytterbium, that only refines the silicon plates, is unable to form clusters in silicon. We propose that the formation of ternary compound clusters AlSiNa, Al2Si2Sr and Al2Si2Eu at the silicon / liquid interface during solidification restrict silicon growth. The formation of clusters on silicon facets create growth steps and increase growth direction diversity. The incorporation of clusters in silicon explains the high density of crystallographic defects and the structural modification from plates to corals.

    The parallel lattice plane-normals 011Si // 0001Al2Si2Eu, 011Si // 610Al2Si2Eu and 111Si // 610Al2Si2Eu were found between Al2Si2Eu and silicon, and absent between Al2Si2Yb and silicon. We propose a favorable heterogeneous formation of Al2Si2Eu on silicon. The misfit between 011Si and 0002Al2Si2X interplanar spacings shows a consistent trend with the potency of modification for several elements such as strontium, sodium, europium, calcium, barium, ytterbium and yttrium.

    List of papers
    1. Comparison of segregations formed in unmodified and Sr-modified Al-Si alloys studied by atom probe tomography and transmission electron microscopy
    Open this publication in new window or tab >>Comparison of segregations formed in unmodified and Sr-modified Al-Si alloys studied by atom probe tomography and transmission electron microscopy
    Show others...
    2014 (English)In: Journal of Alloys and Compounds, ISSN 0925-8388, E-ISSN 1873-4669, Vol. 611, p. 410-421Article in journal (Refereed) Published
    Abstract [en]

    The mechanical properties of Al-7 wt.% Si can be enhanced by structural modifications of its eutectic phase. Addition of low concentrations of certain elements, in this case 150 wt-ppm Sr, is enough to cause a transition from a coarse plate-like Si structure to a finer coralline one. To fully understand the operating mechanism of this modification, the composition of the eutectic Si phase in unmodified and Sr-modified alloys was analysed and compared by atom probe tomography and (scanning) transmission electron microscopy. The unmodified alloy showed nanometre sized Al-segregations decorating defects, while the Sr-modified sample presented three types of Al-Sr segregations: (1) rod-like segregations that promote smoothening of the Al-Si boundaries in the eutectic phase, (2) particle-like segregations comparable to the ones seen in the unmodified alloy, and (3) planar segregations favouring the formation of twin boundaries. Al and Sr solubilities in Si after solidification were determined to be 430 +/- 160 at-ppm and 40 +/- 10 at-ppm, respectively. Sr predominantly segregates to the Si phase confirming its importance in the modification of the eutectic growth.

    Place, publisher, year, edition, pages
    Elsevier, 2014
    Keywords
    Aluminium-silicon alloys; Strontium modification; Atom probe tomography; Transmission electron microscopy; Microstructure
    National Category
    Physical Sciences
    Identifiers
    urn:nbn:se:liu:diva-109356 (URN)10.1016/j.jallcom.2014.05.121 (DOI)000338932400064 ()
    Available from: 2014-08-15 Created: 2014-08-15 Last updated: 2020-03-19Bibliographically approved
    2. Cluster formation at the Si/liquid interface in Sr and Na modified Al-Si alloys
    Open this publication in new window or tab >>Cluster formation at the Si/liquid interface in Sr and Na modified Al-Si alloys
    Show others...
    2016 (English)In: Scripta Materialia, ISSN 1359-6462, E-ISSN 1872-8456, Vol. 117, p. 16-19Article in journal (Refereed) Published
    Abstract [en]

    Atom probe tomography was used to compare Na and Sr modified Al-Si hypoeutectic alloys. Both Na and Sr promote the formation of nanometre-sized clusters in the Si eutectic phase. Compositional analyses of the clusters show an Al:Sr ratio of 2.92 +/- 0.46 and an Al:Na ratio of 1.07 +/- 0.23. It is proposed that SrAl2Si2 and NaAlSi clusters are formed at the Si/liquid interface and take part in the modification process by altering the eutectic Si growth.

    Place, publisher, year, edition, pages
    PERGAMON-ELSEVIER SCIENCE LTD, 2016
    Keywords
    Eutectic solidification; Atom probe tomography; Aluminium alloys; Eutectic modification; Transmission electron microscopy
    National Category
    Physical Sciences
    Identifiers
    urn:nbn:se:liu:diva-127548 (URN)10.1016/j.scriptamat.2016.02.018 (DOI)000373547500004 ()
    Note

    Funding Agencies|German Federal Ministry of Economics and Technology [AiF 17204 N]; European Regional Development Fund (AME-Lab) [C/4-EFRE-13/2009/Br]; German Research Foundation (DFG); Federal State Government of Saarland [INST 256/298-1 FUGG]; Erasmus Mundus Doctoral Programme DocMASE of the European Commission [FPA 2011-0020]; VINNOVA Strategic Faculty Grant VINNMER Marie Curie Chair [2011-03464]; Major International (Regional) Joint Research Project from China [51420105005]

    Available from: 2016-05-04 Created: 2016-05-03 Last updated: 2020-03-19
    3. Eutectic modification by ternary compound cluster formation in Al-Si alloys
    Open this publication in new window or tab >>Eutectic modification by ternary compound cluster formation in Al-Si alloys
    Show others...
    2019 (English)In: Scientific Reports, E-ISSN 2045-2322, Vol. 9, article id 5506Article in journal (Refereed) Published
    Abstract [en]

    Al-alloys with Si as the main alloying element constitute the vast majority of Al castings used commercially today. The eutectic Si microstructure in these alloys can be modified from plate-like to coral-like by the addition of a small amount of a third element to improve ductility and toughness. In this investigation the effects of Eu and Yb are studied and their influence on the microstructure is compared to further understand this modification. The two elements impact the alloy differently, where Eu modifies Si into a coral-like structure while Yb does not. Atom probe tomography shows that Eu is present within the Si phase in the form of ternary compound Al2Si2Eu clusters, while Yb is absent in the Si phase. This indicates that the presence of ternary compound clusters within Si is a necessary condition for the formation of a coral-like structure. A crystallographic orientation relationship between Si and the Al2Si2Eu phase was found, where the following plane normals are parallel: 011(Si) //0001(Al2Si2Eu), 111(Si)//6 (7) over bar 10(Al2Si2Eu) and 011(Si)//6 (7) over bar 10(Al2Si2Eu). No crystallographic relationship was found between Si and Al2Si2Yb. The heterogeneous formation of coherent Al2Si2Eu clusters inside the Si-phase is suggested to trigger the modification of the microstructure.

    Place, publisher, year, edition, pages
    NATURE PUBLISHING GROUP, 2019
    National Category
    Metallurgy and Metallic Materials
    Identifiers
    urn:nbn:se:liu:diva-156563 (URN)10.1038/s41598-019-41919-2 (DOI)000462990000048 ()30940873 (PubMedID)
    Note

    Funding Agencies|European Regional Development Fund (ERDF); DFG; Federal State Government of Saarland [INST 256/298-1 FUGG]; Erasmus Mundus Programme of the European Commission within the Doctoral Programme DocMASE; Major International (Regional) Joint Research Project from China [51420105005]; Overseas, Hong Kong, Macao Scholars Cooperative Research Fund from China [51728101]

    Available from: 2019-05-15 Created: 2019-05-15 Last updated: 2022-09-15
    4. Nucleation and Growth of Eutectic Si in Al-Si Alloys with Na Addition
    Open this publication in new window or tab >>Nucleation and Growth of Eutectic Si in Al-Si Alloys with Na Addition
    Show others...
    2015 (English)In: Metallurgical and Materials Transactions. A, ISSN 1073-5623, E-ISSN 1543-1940, Vol. 46, no 3, p. 1300-1311Article in journal (Refereed) Published
    Abstract [en]

    Al-5 wt pct Si-based alloys with Na additions (19 and 160 ppm) have been produced by controlled sand casting and melt spinning. Entrained droplet technique and differential scanning calorimetry were employed to investigate the nucleation behavior of eutectic Si. High-resolution transmission electron microscopy and atom probe tomography were used to investigate the distribution of Na atoms within eutectic Si and at the interfaces between eutectic Si and eutectic Al. It was found that (i) only 19 ppm Na addition results into a high undercooling (49 K (49 °C)) of the entrained eutectic droplet. However, further increasing Na addition up to 160 ppm exerts no positive effect on the nucleation of eutectic Si, instead a decreased undercooling (29 K (29 °C)) was observed. (ii) Na addition suppresses the growth of eutectic Si due to the Na segregation at the interface between eutectic Si and eutectic Al, and (iii) Na addition promotes significant multiple Si twins, which can be attributed to the proposed adsorption of Na atoms at the intersection of Si twins and along the 〈112〉Si growth direction of Si. The present investigation demonstrates, for the first time, a direct observation on the distribution of Na atoms within eutectic Si and thereby provides strong experimental supports to the well-accepted impurity-induced twinning growth mechanism and poisoning of the twin plane re-entrant edge growth mechanism.

    National Category
    Condensed Matter Physics
    Identifiers
    urn:nbn:se:liu:diva-160234 (URN)10.1007/s11661-014-2702-6 (DOI)
    Available from: 2019-09-12 Created: 2019-09-12 Last updated: 2019-09-13
    5. Phase Selective Sample Preparation of Al-Si alloys for Atom Probe Tomography
    Open this publication in new window or tab >>Phase Selective Sample Preparation of Al-Si alloys for Atom Probe Tomography
    2019 (English)In: Praktische metallographie, ISSN 0032-678X, E-ISSN 2195-8599, Vol. 56, no 2, p. 76-90Article in journal (Refereed) Published
    Abstract [en]

    We present how the conventional focused ion beam (FIB) lift-out method can be modified to obtain phase selective specimens for atom probe tomography (APT). The modified method combines selective deep etching with site-specific lift-out using a micromanipulator in a FIB/SEM workstation. This method is used for phase-selective sample preparation in alloys with complex microstructures such as the coral- and plate-like silicon structures in the eutectic phase of Al-Si castings. The method proves to be both, practical and robust, with a high success rate of high-quality phase-specific APT specimens.

    Place, publisher, year, edition, pages
    CARL HANSER VERLAG, 2019
    National Category
    Analytical Chemistry
    Identifiers
    urn:nbn:se:liu:diva-154847 (URN)10.3139/147.110557 (DOI)000458507500002 ()
    Note

    Funding Agencies|EU; DFG; Federal State Government of Saarland [INST 256/298-1 FUGG]; Erasmus Mundus Programme of the European Commission within the Doctoral Programme DocMASE

    Available from: 2019-03-05 Created: 2019-03-05 Last updated: 2019-09-13
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  • 2.
    Barrirero, Jenifer
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Nanostructured Materials. Linköping University, The Institute of Technology. Saarland University, Saarbrücken, Germany.
    Engstler, Michael
    Saarland University, Saarbrücken, Germany.
    Ghafoor, Naureen
    Linköping University, Department of Physics, Chemistry and Biology, Nanostructured Materials. Linköping University, The Institute of Technology.
    de Jonge, Niels
    Saarland University, Saarbrücken, Germany.
    Odén, Magnus
    Linköping University, Department of Physics, Chemistry and Biology, Nanostructured Materials. Linköping University, The Institute of Technology.
    Muecklich, Frank
    Saarland University, Saarbrücken, Germany.
    Comparison of segregations formed in unmodified and Sr-modified Al-Si alloys studied by atom probe tomography and transmission electron microscopy2014In: Journal of Alloys and Compounds, ISSN 0925-8388, E-ISSN 1873-4669, Vol. 611, p. 410-421Article in journal (Refereed)
    Abstract [en]

    The mechanical properties of Al-7 wt.% Si can be enhanced by structural modifications of its eutectic phase. Addition of low concentrations of certain elements, in this case 150 wt-ppm Sr, is enough to cause a transition from a coarse plate-like Si structure to a finer coralline one. To fully understand the operating mechanism of this modification, the composition of the eutectic Si phase in unmodified and Sr-modified alloys was analysed and compared by atom probe tomography and (scanning) transmission electron microscopy. The unmodified alloy showed nanometre sized Al-segregations decorating defects, while the Sr-modified sample presented three types of Al-Sr segregations: (1) rod-like segregations that promote smoothening of the Al-Si boundaries in the eutectic phase, (2) particle-like segregations comparable to the ones seen in the unmodified alloy, and (3) planar segregations favouring the formation of twin boundaries. Al and Sr solubilities in Si after solidification were determined to be 430 +/- 160 at-ppm and 40 +/- 10 at-ppm, respectively. Sr predominantly segregates to the Si phase confirming its importance in the modification of the eutectic growth.

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    fulltext
  • 3.
    Barrirero, Jenifer
    et al.
    Linköping University, Department of Physics, Chemistry and Biology. Linköping University, Faculty of Science & Engineering. University of Saarland, Germany.
    Li, Jiehua
    University of Leoben, Austria.
    Engstler, Michael
    University of Saarland, Germany.
    Ghafoor, Naureen
    Linköping University, Department of Physics, Chemistry and Biology, Nanostructured Materials. Linköping University, Faculty of Science & Engineering.
    Schumacher, Peter
    University of Leoben, Austria.
    Odén, Magnus
    Linköping University, Department of Physics, Chemistry and Biology, Nanostructured Materials. Linköping University, Faculty of Science & Engineering.
    Muecklich, Frank
    University of Saarland, Germany.
    Cluster formation at the Si/liquid interface in Sr and Na modified Al-Si alloys2016In: Scripta Materialia, ISSN 1359-6462, E-ISSN 1872-8456, Vol. 117, p. 16-19Article in journal (Refereed)
    Abstract [en]

    Atom probe tomography was used to compare Na and Sr modified Al-Si hypoeutectic alloys. Both Na and Sr promote the formation of nanometre-sized clusters in the Si eutectic phase. Compositional analyses of the clusters show an Al:Sr ratio of 2.92 +/- 0.46 and an Al:Na ratio of 1.07 +/- 0.23. It is proposed that SrAl2Si2 and NaAlSi clusters are formed at the Si/liquid interface and take part in the modification process by altering the eutectic Si growth.

    Download full text (pdf)
    fulltext
  • 4.
    Barrirero, Jenifer
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Nanostructured Materials. Linköping University, Faculty of Science & Engineering. Saarland Univ, Germany.
    Pauly, C.
    Saarland Univ, Germany.
    Engstler, M.
    Saarland Univ, Germany.
    Ghanbaja, J.
    Univ Lorraine, France.
    Ghafoor, Naureen
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Li, J.
    Univ Leoben, Austria.
    Schumacher, P.
    Univ Leoben, Austria.
    Odén, Magnus
    Linköping University, Department of Physics, Chemistry and Biology, Nanostructured Materials. Linköping University, Faculty of Science & Engineering.
    Muecklich, F.
    Saarland Univ, Germany.
    Eutectic modification by ternary compound cluster formation in Al-Si alloys2019In: Scientific Reports, E-ISSN 2045-2322, Vol. 9, article id 5506Article in journal (Refereed)
    Abstract [en]

    Al-alloys with Si as the main alloying element constitute the vast majority of Al castings used commercially today. The eutectic Si microstructure in these alloys can be modified from plate-like to coral-like by the addition of a small amount of a third element to improve ductility and toughness. In this investigation the effects of Eu and Yb are studied and their influence on the microstructure is compared to further understand this modification. The two elements impact the alloy differently, where Eu modifies Si into a coral-like structure while Yb does not. Atom probe tomography shows that Eu is present within the Si phase in the form of ternary compound Al2Si2Eu clusters, while Yb is absent in the Si phase. This indicates that the presence of ternary compound clusters within Si is a necessary condition for the formation of a coral-like structure. A crystallographic orientation relationship between Si and the Al2Si2Eu phase was found, where the following plane normals are parallel: 011(Si) //0001(Al2Si2Eu), 111(Si)//6 (7) over bar 10(Al2Si2Eu) and 011(Si)//6 (7) over bar 10(Al2Si2Eu). No crystallographic relationship was found between Si and Al2Si2Yb. The heterogeneous formation of coherent Al2Si2Eu clusters inside the Si-phase is suggested to trigger the modification of the microstructure.

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    fulltext
  • 5.
    Broering Chaar, Ana Beatriz
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Nanostructured Materials. Linköping University, Faculty of Science & Engineering. Saarland Univ, Germany.
    Rogström, Lina
    Linköping University, Department of Physics, Chemistry and Biology, Nanostructured Materials. Linköping University, Faculty of Science & Engineering.
    Johansson, Mats
    Linköping University, Department of Physics, Chemistry and Biology, Nanostructured Materials. Linköping University, Faculty of Science & Engineering. Seco Tools AB, Sweden.
    Barrirero, Jenifer
    Linköping University, Department of Physics, Chemistry and Biology, Nanostructured Materials. Linköping University, Faculty of Science & Engineering. Saarland Univ, Germany.
    Aboulfadl, H.
    Saarland Univ, Germany; Chalmers Univ Technol, Sweden.
    Schell, N.
    Helmholtz Zentrum Geesthacht, Germany.
    Ostach, D.
    Helmholtz Zentrum Geesthacht, Germany.
    Mucklich, F.
    Saarland Univ, Germany.
    Odén, Magnus
    Linköping University, Department of Physics, Chemistry and Biology, Nanostructured Materials. Linköping University, Faculty of Science & Engineering.
    Microstructural influence of the thermal behavior of arc deposited TiAlN coatings with high aluminum content2021In: Journal of Alloys and Compounds, ISSN 0925-8388, E-ISSN 1873-4669, Vol. 854, article id 157205Article in journal (Refereed)
    Abstract [en]

    The influence of the microstructure on the thermal behavior of cathodic arc deposited TiAlN coatings was studied as a function of isothermal annealing. Two compositionally similar but structurally different coatings were compared, a Ti0.34Al0.66N0.96 coating with a fine-grain structure consisting of a mixture of cubic (c) and hexagonal (h) phases, and a Ti0.40Al0.60N0.94 coating with a coarse-grain structure of cubic phase. By in situ wide-angle synchrotron x-ray scattering, spinodal decomposition was confirmed in both coatings. The increased amount of internal interfaces lowered the decomposition temperature by 50 degrees C for the dual-phase coating. During the subsequent isothermal anneal at 1000 degrees C, a transformation from c-AlN to h-AlN took place in both coatings. After 50 min of isothermal annealing, atom probe tomography detected small amounts of Al (similar to 2 at.%) in the c-TiN rich domains and small amounts of Ti (similar to 1 at.%) in the h-AlN rich domains of the coarse-grained single-phase Ti0.40Al0.60N0.94 coating. Similarly, at the same conditions, the fine-grained dual-phase Ti0.34Al0.66N0.96 coating exhibits a higher Al content (similar to 5 at.%) in the c-TiN rich domains and higher Ti content (similar to 15 at.%) in the h-AlN rich domains. The study shows that the thermal stability of TiAlN is affected by the microstructure and that it can be used to tune the reaction pathway of decomposition favorably. (C) 2020 The Authors. Published by Elsevier B.V.

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  • 6.
    Calamba, Katherine
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Nanostructured Materials. Linköping University, Faculty of Science & Engineering. Univ Lorraine, France.
    Barrirero, Jenifer
    Linköping University, Department of Physics, Chemistry and Biology, Nanostructured Materials. Linköping University, Faculty of Science & Engineering. Saarland Univ, Germany.
    Joesaar, M. P. Johansson
    SECO Tools AB, Sweden.
    Bruyere, S.
    Univ Lorraine, France.
    Boyd, Robert
    Linköping University, Department of Physics, Chemistry and Biology, Plasma and Coating Physics. Linköping University, Faculty of Science & Engineering.
    Pierson, J. F.
    Univ Lorraine, France.
    Le Febvrier, Arnaud
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Muecklich, F.
    Saarland Univ, Germany.
    Odén, Magnus
    Linköping University, Department of Physics, Chemistry and Biology, Nanostructured Materials. Linköping University, Faculty of Science & Engineering.
    Growth and high temperature decomposition of epitaxial metastable wurtzite (Ti1-x,Al-x)N(0001) thin films2019In: Thin Solid Films, ISSN 0040-6090, E-ISSN 1879-2731, Vol. 688, article id 137414Article in journal (Refereed)
    Abstract [en]

    The structure, growth, and phase stability of (Ti1-x,Al-x)N films with high Al content were investigated. (Ti1-x,Al-x)N (x= 0.63 and 0.77) thin films were grown on MgO (111) substrates at 700 degrees C using a UHV DC magnetron sputtering system. The (Ti-0.37,Al-0.63)N film is a single crystal with a cubic NaCl (B1) structure while the (T-i0.23,Al-0.77)N film only shows epitaxial growth of the same cubic phase in the first few atomic layers. With increasing film thickness, epitaxial wurtzite (B4) forms. The thin cubic layer and the wurtzite film has an orientation relationship of c-(Ti-0.23,Al-0.77)N(111)[110]parallel to w-(Ti-0.23,Al-0.77)N(0001)[11 (2) over bar0]. Continued deposition results in a gradual break-down of the epitaxial growth. It is replaced by polycrystalline growth of wurtzite columns with a high degree of 0001 texture, separated by a Tienriched cubic phase. In the as-deposited state, c-(Ti-0.27,Al-0.63)N displays a homogeneous chemical distribution while the w-(Ti-0.23,Al-0.77)N has segregated to Al- and Ti-rich domains. Annealing at 900 degrees C resulted in the spinodal decomposition of the metastable c-(Ti-0.27,Al-0.63)N film and formation of coherent elongated c-AlN and cTi-N-rich domains with an average width of 4.5 +/- 0.2 nm while the width of the domains in the w-(Ti-0.23,Al-0.77)N film only marginally increases to 2.8 +/- 0.1 nm. The slower coarsening rate of the wurtzite structure compared to cubic is indicative of a higher thermal stability.

  • 7.
    Calamba, Katherine
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Nanostructured Materials. Linköping University, Faculty of Science & Engineering. Univ Lorraine, France.
    Pierson, J. F.
    Univ Lorraine, France.
    Bruyere, S.
    Univ Lorraine, France.
    Le Febvrier, Arnaud
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Barrirero, Jenifer
    Linköping University, Department of Physics, Chemistry and Biology, Nanostructured Materials. Linköping University, Faculty of Science & Engineering. Saarland Univ, Germany.
    Muecklich, F.
    Saarland Univ, Germany.
    Boyd, Robert
    Linköping University, Department of Physics, Chemistry and Biology, Plasma and Coating Physics. Linköping University, Faculty of Science & Engineering.
    Jöesaar Johansson, Mats
    Linköping University, Department of Physics, Chemistry and Biology, Nanostructured Materials. Linköping University, Faculty of Science & Engineering. SECO Tools AB, Sweden.
    Odén, Magnus
    Linköping University, Department of Physics, Chemistry and Biology, Nanostructured Materials. Linköping University, Faculty of Science & Engineering.
    Dislocation structure and microstrain evolution during spinodal decomposition of reactive magnetron sputtered heteroepixatial c-(Ti-0.37,Al-0.63)N/c-TiN films grown on MgO(001) and (111) substrates2019In: Journal of Applied Physics, ISSN 0021-8979, E-ISSN 1089-7550, Vol. 125, no 10, article id 105301Article in journal (Refereed)
    Abstract [en]

    Heteroepitaxial c-(Ti-0.37,Al-0.63)N thin films were grown on MgO(001) and MgO(111) substrates using reactive magnetron sputtering. High resolution high-angle annular dark-field scanning transmission electron micrographs show coherency between the film and the substrate. In the as-deposited state, x-ray diffraction reciprocal space maps show a strained epitaxial film. Corresponding geometric phase analysis (GPA) deformation maps show a high stress in the film. At elevated temperature (900 degrees C), the films decompose to form iso-structural coherent c-Al- and c-TiN-rich domains, elongated along the elastically soft amp;lt;100amp;gt; directions. GPA analysis reveals that the c-TiN domains accommodate more dislocations than the c-AlN domains. This is because of the stronger directionality of the covalent bonds in c-AlN compared with c-TiN, making it more favorable for the dislocations to accumulate in c-TiN. The defect structure and strain generation in c-(Ti,Al)N during spinodal decomposition is affected by the chemical bonding state and elastic properties of the segregated domains.

  • 8.
    Li, J. H.
    et al.
    Institute of Casting Research, Leoben, Austria.
    Barrirero, Jenifer
    Department of Materials Science, Saarland University, Saarbrücken, Germany.
    Engstler, M.
    Department of Materials Science, Saarland University, Saarbrücken, Germany.
    Aboulfadl, H.
    Department of Materials Science, Saarland University, Saarbrücken, Germany.
    Mücklich, F.
    Department of Materials Science, Saarland University, Saarbrücken, Germany.
    Schumacher, P.
    Institute of Casting Research, Leoben, Austria; Austrian Foundry Research Institute, Leoben, Austria.
    Nucleation and Growth of Eutectic Si in Al-Si Alloys with Na Addition2015In: Metallurgical and Materials Transactions. A, ISSN 1073-5623, E-ISSN 1543-1940, Vol. 46, no 3, p. 1300-1311Article in journal (Refereed)
    Abstract [en]

    Al-5 wt pct Si-based alloys with Na additions (19 and 160 ppm) have been produced by controlled sand casting and melt spinning. Entrained droplet technique and differential scanning calorimetry were employed to investigate the nucleation behavior of eutectic Si. High-resolution transmission electron microscopy and atom probe tomography were used to investigate the distribution of Na atoms within eutectic Si and at the interfaces between eutectic Si and eutectic Al. It was found that (i) only 19 ppm Na addition results into a high undercooling (49 K (49 °C)) of the entrained eutectic droplet. However, further increasing Na addition up to 160 ppm exerts no positive effect on the nucleation of eutectic Si, instead a decreased undercooling (29 K (29 °C)) was observed. (ii) Na addition suppresses the growth of eutectic Si due to the Na segregation at the interface between eutectic Si and eutectic Al, and (iii) Na addition promotes significant multiple Si twins, which can be attributed to the proposed adsorption of Na atoms at the intersection of Si twins and along the 〈112〉Si growth direction of Si. The present investigation demonstrates, for the first time, a direct observation on the distribution of Na atoms within eutectic Si and thereby provides strong experimental supports to the well-accepted impurity-induced twinning growth mechanism and poisoning of the twin plane re-entrant edge growth mechanism.

  • 9.
    Shulumba, Nina
    et al.
    Linköping University, Department of Physics, Chemistry and Biology. Linköping University, Faculty of Science & Engineering. University of Saarland, Germany.
    Hellman, Olle
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering. CALTECH, CA 91125 USA.
    Raza, Zamaan
    Linköping University, Department of Physics, Chemistry and Biology. Linköping University, Faculty of Science & Engineering.
    Alling, Björn
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. Max Planck Institute Eisenforsch GmbH, Germany.
    Barrirero, Jenifer
    Linköping University, Department of Physics, Chemistry and Biology. Linköping University, Faculty of Science & Engineering. University of Saarland, Germany.
    Muecklich, Frank
    University of Saarland, Germany.
    Abrikosov, Igor
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering. NUST MISIS, Russia.
    Odén, Magnus
    Linköping University, Department of Physics, Chemistry and Biology, Nanostructured Materials. Linköping University, Faculty of Science & Engineering.
    Lattice Vibrations Change the Solid Solubility of an Alloy at High Temperatures2016In: Physical Review Letters, ISSN 0031-9007, E-ISSN 1079-7114, Vol. 117, no 20, article id 205502Article in journal (Refereed)
    Abstract [en]

    We develop a method to accurately and efficiently determine the vibrational free energy as a function of temperature and volume for substitutional alloys from first principles. Taking Ti1-xAlxN alloy as a model system, we calculate the isostructural phase diagram by finding the global minimum of the free energy corresponding to the true equilibrium state of the system. We demonstrate that the vibrational contribution including anharmonicity and temperature dependence of the mixing enthalpy have a decisive impact on the calculated phase diagram of a Ti1-xAlxN alloy, lowering the maximum temperature for the miscibility gap from 6560 to 2860 K. Our local chemical composition measurements on thermally aged Ti0.5Al0.5N alloys agree with the calculated phase diagram.

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  • 10.
    Shulumba, Nina
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Nanostructured Materials. Linköping University, Faculty of Science & Engineering. University of Saarland, Germany.
    Hellman, Olle
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering. Division of Engineering and Applied Science, California Institute of Technology, Pasadena, California, USA.
    Raza, Zamaan
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering.
    Alling, Björn
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. Max-Planck-Institut für Eisenforschung GmbH, Düsseldorf, Germany.
    Barrirero, Jennifer
    Linköping University, Department of Physics, Chemistry and Biology. Linköping University, Faculty of Science & Engineering. Functional Materials, Saarland University, Campus D3 3, Saarbrücken, Germany.
    Mücklich, Frank
    Functional Materials, Saarland University, Campus D3 3, Saarbrücken, Germany.
    Abrikosov, Igor
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering. Materials Modeling and Development Laboratory, NUST “MISIS”, Moscow, Russia / LACOMAS Laboratory, Tomsk State University, Tomsk, Russia.
    Odén, Magnus
    Linköping University, Department of Physics, Chemistry and Biology, Nanostructured Materials. Linköping University, Faculty of Science & Engineering.
    Anharmonicity changes the solid solubility of an alloy at high temperatures2015Manuscript (preprint) (Other academic)
    Abstract [en]

    We have developed a method to accurately and efficiently determine the vibrational free energy as a function of temperature and volume for substitutional alloys from first principles. Taking Ti1−xAlxN alloy as a model system, we calculate the isostructural phase diagram by finding the global minimum of the free energy, corresponding to the true equilibrium state of the system. We demonstrate that the anharmonic contribution and temperature dependence of the mixing enthalpy have a decisive impact on the calculated phase diagram of a Ti1−xAlxN alloy, lowering the maximum temperature for the miscibility gap from 6560 K to 2860 K. Our local chemical composition measurements on thermally aged Ti0.5Al0.5N alloys agree with the calculated phase diagram.

  • 11.
    Yalamanchili, Phani Kumar
    et al.
    Linköping University, Department of Physics, Chemistry and Biology. Linköping University, Faculty of Science & Engineering.
    Wang, Fei
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering. University of Saarland, Germany.
    Aboulfadl, Hisham
    University of Saarland, Germany.
    Barrirero, Jenifer
    Linköping University, Department of Physics, Chemistry and Biology. Linköping University, Faculty of Science & Engineering. University of Saarland, Germany.
    Rogström, Lina
    Linköping University, Department of Physics, Chemistry and Biology, Nanostructured Materials. Linköping University, Faculty of Science & Engineering.
    Jimenez-Pique, Emilio
    University of Politecn Cataluna, Spain; CRnE UPC, Spain.
    Muecklich, Frank
    University of Saarland, Germany.
    Tasnadi, Ferenc
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering.
    Odén, Magnus
    Linköping University, Department of Physics, Chemistry and Biology, Nanostructured Materials. Linköping University, Faculty of Science & Engineering.
    Ghafoor, Naureen
    Linköping University, Department of Physics, Chemistry and Biology, Nanostructured Materials. Linköping University, Faculty of Science & Engineering.
    Growth and thermal stability of TiN/ZrAlN: Effect of internal interfaces2016In: Acta Materialia, ISSN 1359-6454, E-ISSN 1873-2453, Vol. 121, p. 396-406Article in journal (Refereed)
    Abstract [en]

    Wear resistant hard films comprised of cubic transition metal nitride (c-TMN) and metastable c-AlN with coherent interfaces have a confined operating envelope governed by the limited thermal stability of metastable phases. However, equilibrium phases (c-TMN and wurtzite(w)-AlN) forming semicoherent interfaces during film growth offer higher thermal stability. We demonstrate this concept for a model multilayer system with TiN and ZrAlN layers where the latter is a nanocomposite of ZrN- and AlN-rich domains. The interfaces between the domains are tuned by changing the AlN crystal structure by varying the multilayer architecture and growth temperature. The interface energy minimization at higher growth temperature leads to formation of semicoherent interfaces between w-AlN and c-TMN during growth of 15 nm thin layers. Ab initio calculations predict higher thermodynamic stability of semicoherent interfaces between c-TMN and w-AlN than isostructural coherent interfaces between c-TMN and c-AlN. The combination of a stable interface structure and confinement of w-AlN to nm-sized domains by its low solubility in c-TMN in a multilayer, results in films with a stable hardness of 34 GPa even after annealing at 1150 degrees C. (C) 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

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