Top

Metallurgical and Materials Transactions A

Published in:

01-01-2013 | Symposium: Neutron and X-Ray Studies of Advanced Materials V

Assessing Local Structure in PbZn_1/3Nb_2/3O₃ Using Diffuse Scattering and Reverse Monte Carlo Refinement

Authors: M. Paściak, A. P. Heerdegen, D. J. Goossens, R. E. Whitfield, A. Pietraszko, T. R. Welberry

Published in: Metallurgical and Materials Transactions A | Issue 1/2013

Activate our intelligent search to find suitable subject content or patents.

search-config

AI-assisted search

Off

Abstract

We use an extensive X-ray diffuse scattering dataset collected from the relaxor ferroelectric PbZn_1/3Nb_2/3O₃ to study the feasibility of refining a nanoscale structure with the reverse Monte Carlo method. Six integer and non-integer reciprocal sections are used with a total number of nearly 10⁵ symmetry-independent data points. Very good agreement between observed and calculated diffuse scattering patterns is achieved with rather subtle diffuse intensity modulations being satisfactorily reproduced. The correlations within the refined local structure are related to the possible physical mechanisms behind them. We discuss the ambiguity of the obtained results and feasible constraining schemes.

previous article Quantitative Characterization of Precipitate Microstructures in Metallic Alloys Using Small-Angle Scattering

next article A Review on Small- and Wide-Angle X-Ray Scattering Applied to the Precipitation Process in Metallic Alloys

Dont have a licence yet? Then find out more about our products and how to get one now:

Springer Professional "Wirtschaft+Technik"

Online-Abonnement

Mit Springer Professional "Wirtschaft+Technik" erhalten Sie Zugriff auf:

über 102.000 Bücher
über 537 Zeitschriften

aus folgenden Fachgebieten:

Automobil + Motoren
Bauwesen + Immobilien
Business IT + Informatik
Elektrotechnik + Elektronik
Energie + Nachhaltigkeit
Finance + Banking
Management + Führung
Marketing + Vertrieb
Maschinenbau + Werkstoffe
Versicherung + Risiko

Jetzt Wissensvorsprung sichern!

inform now

Springer Professional "Technik"

Online-Abonnement

Mit Springer Professional "Technik" erhalten Sie Zugriff auf:

über 67.000 Bücher
über 390 Zeitschriften

aus folgenden Fachgebieten:

Automobil + Motoren
Bauwesen + Immobilien
Business IT + Informatik
Elektrotechnik + Elektronik
Energie + Nachhaltigkeit
Maschinenbau + Werkstoffe

Jetzt Wissensvorsprung sichern!

inform now

T.R. Welberry: Diffuse X-ray Scattering and Models of Disorder, International Union of Crystallography Monographs on Crystallography, Oxford University Press, 2004

Honjo G., Kodera S., Kitamura N. (1964) J. Phys. Soc. Jpn. 19(3): 351–367CrossRef

Harada J., Honjo G. (1967) J. Phys. Soc. Jpn. 22(1):45–57CrossRef

Comes R., Lambert M., Guinier A. (1968) Solid State Commun. 6(10):715–719CrossRef

J. Hlinka, T. Ostapchuk, D. Nuzhnyy, J. Petzelt, P. Kuzel, C. Kadlec, P. Vanek, I. Ponomareva, and L. Bellaiche: Phys. Rev. Lett., 2008, vol. 101, p. 167402.

A. Bokov and Z.-G. Ye: J. Mater. Sci., 2006, vol. 41, pp. 31–52. DOI:10.1007/s10853-005-5915-7.

Hlinka J. (2012) J. Adv. Dielectrics. 2(2):1241006CrossRef

Terado Y., Kim SJ., Moriyoshi C., Kuroiwa Y., Iwata M.,Takata M. (2006) Jpn. J. Appl. Phys. 45(9B):7552–7555CrossRef

Kuwata J., Uchino K., Nomura S. (1982) Jpn. J. Appl. Phys. 21:1298CrossRef

10.

Kuwata J., Uchino K., Nomura S. (1981) Ferroelectrics. 37:579–582CrossRef

11.

Forrester J.S., Kisi E.H., Knight K.S., Howard C.J. (2006) J. Phys. Condens. Matter. 18(19):L233CrossRef

12.

Kisi EH., Forrester JS. (2005) J. Phys. Condens. Matter. 17(36):L381CrossRef

13.

Bonneau P., Garnier P., Husson E., Morell A. (1989) Mater. Res. Bull. 24(2):201–06CrossRef

14.

Bonneau P., Garnier P., Calvarin G., Husson E., Gavarri J.R., Hewat A.W., Morell A. (1991) J. Solid State Chem. 91(2):350–361CrossRef

15.

Stock C., Birgeneau R.J., Wakimoto S., Gardner J.S., Chen W., Ye Z.-G., Shirane G. (2004) Phys Rev. B 69:094104CrossRef

16.

H. You and Q.M. Zhang: Phys. Rev. Lett., 1997, vol. 79 (20), pp. 3950–53.

17.

Hirota K., Ye Z.-G., Wakimoto S., Gehring P.M., Shirane G. (2002) Phys Rev. B 65(10):104105CrossRef

18.

Welberry T. R., Gutmann M.J., Woo H., Goossens D.J. , Xu G., Stock C., Chen W., Ye Z.-G. (2005) J. Appl. Crystallogr. 38(4):639–647CrossRef

19.

Welberry T.R., Goossens D.J., Gutmann M.J. (2006) Phys. Rev. B. 74(22):224108CrossRef

20.

Whitfield R.E., Goossens D.J., Studer A.J., Forrester J.S. (2012) Metall. Mater. Trans. A 43A:1423–1428CrossRef

21.

Whitfield R.E., Goossens D.J., and Studer A.J. (2012) Metall. Mater. Trans. A 43A:1429–1433CrossRef

22.

Mihailova B., Maier B., Paulmann C., Malcherek T., Ihringer J., Gospodinov M., Stosch R., Güttler B., Bismayer U. (2008) Phys. Rev. B., 77:174106CrossRef

23.

Maier B., Mihailova B., Paulmann C., Ihringer J., Gospodinov M., Stosch R., Güttler B., Bismayer U. (2009) Phys. Rev. B 79:224108CrossRef

24.

Ganesh P., Cockayne E., Ahart M., Cohen R.E., Burton B., Hemley R.J., Ren Y., Yang W., Ye Z.-G. (2010) Phys. Rev. B. 81(14):144102CrossRef

25.

Paściak M., Wolcyrz M., Pietraszko A. (2007) Phys. Rev. B. 76(1):014117CrossRef

26.

Welberry T.R., Goossens D.J. (2008) J. Appl. Crystallogr. 41(3):606–614CrossRef

27.

T.R. Welberry: Metall. Mater. Trans. A, 2008, 39A, pp. 3170–3178. DOI:10.1007/s11661-008-9572-8.

28.

Bosak A., Chernyshov D., Vakhrushev S., Krisch M. (2012) Acta Crystallogr. Sect. A. 68(1):117–123CrossRef

29.

McGreevy R.L., Pusztai L. (1988) Mol. Simul. 1(6):359–367CrossRef

30.

Nield V.M., Keen D.A., McGreevy R.L. (1995) Acta Crystallogr. Sect. A 51(5):763–771CrossRef

31.

Krawczyk J., Pietraszko A., Kubiak R., Lukaszewicz K. (2003) Acta Crystallogr. Sect. B. 59(3):384–392CrossRef

32.

Lukaszewicz K., Pietraszko A., Kucharska M. (2005) Acta Crystallogr. Sect. B. 61(5):473–480CrossRef

33.

R.B. Neder and Th. Proffen. Diffuse Scattering and Defect Structure Simulations. Oxford University Press, Oxford. 2009.

34.

Proffen Th., Welberry T.R. (1997) Acta Crystallogr. Sect. A. 53(2):202–216CrossRef

35.

M.A. Estermann and W. Steurer. Phase Transit. 67(1):165–195CrossRef

36.

Proffen Th., Neder R. B. (1997) J. Appl. Crystallogr. 30(2):171–175CrossRef

37.

Burkovsky R.G., Filimonov A.V., Rudskoy A.I., Hirota K., Matsuura M., Vakhrushev S.B. (2012) Phys. Rev. B. 85:094108CrossRef

38.

M.A. Akbas and P.K. Davies (1997) J. Am. Ceram. Soc. 80(11):2933–2936CrossRef

39.

Yan Y., Pennycook S.J., Xu Z., Viehland D. (1998) Appl. Phys. Lett. 72(24):3145–3147CrossRef

40.

S. Vakhrushev, A. Nabereznov, S.K. Sinha, Y.P. Feng, and T. Egami: J. Phys. Chem. Solids, 1996, vol. 57 (10), pp. 1517–1523.

41.

Vakhrushev S.B., Kvyatkovsky B.E., Naberezhnov A.A., Okuneva N.M., Toperverg B.P. (1989) Ferroelectrics. 90(1):173–176CrossRef

42.

Viehland D., Li JF., Jang S.J., Eric Cross L., Wuttig M. (1991) Phys. Rev. B. 43:8316–8320CrossRef

43.

M. Paściak, T.R. Welberry, J. Kulda, M. Kempa, and J. Hlinka: Phys. Rev. B, 2012, vol. 84 (22), p. 224109.CrossRef

44.

Jeong I.-K., Darling TW., Lee J.K., Proffen Th., Heffner R.H., Park J.S., Hong K.S., Dmowski W., Egami T. (2005) Phys. Rev. Lett. 94(14):147602CrossRef

45.

Hlinka J., Kamba S., Petzelt J., Kulda J., Randall C.A., Zhang S.J. (2003) J. Phys. Condens. Matter. 15(24):4249CrossRef

46.

Stock C., Van Eijck L., Fouquet P., Maccarini M., Gehring P.M., Xu G., Luo H., Zhao X., Li J.-F., Viehland D (2010) Phys. Rev. B. 81:144127CrossRef

47.

Welberry T.R. (1986) J. Appl. Crystallogr. 19(5):382–389CrossRef

48.

Swainson I.P., Stock C., Gehring P.M., Xu G., Hirota K., Qiu Y., Luo H., Zhao X., Li J.-F., Viehland D. (2009) Phys. Rev. B. 79(22):224301CrossRef

49.

Hlinka J., Ondrejkovic P., Kempa M., Borissenko E., Krisch M., Long X., Ye Z.-G. (2011) Phys. Rev. B. 83(14):140101CrossRef

50.

Baake M., Grimm U. (2009) Phys. Rev. B. 79:020203CrossRef

51.

Baba-Kishi K.Z., Pasciak M. (2010) J. Appl. Crystallogr. 43(1):140–150CrossRef

52.

Maier B. J., Welsch A.-M., Mihailova B., Angel R.J., Zhao J., Paulmann C., Engel J.M., Marshall W.G., Gospodinov M., Petrova D., Bismayer U. (2011) Phys. Rev. B. 83:134106CrossRef

Title: Assessing Local Structure in PbZn1/3Nb2/3O3 Using Diffuse Scattering and Reverse Monte Carlo Refinement
Authors: M. Paściak
A. P. Heerdegen
D. J. Goossens
R. E. Whitfield
A. Pietraszko
T. R. Welberry
Publication date: 01-01-2013
Publisher: Springer US
Published in: Metallurgical and Materials Transactions A / Issue 1/2013
Print ISSN: 1073-5623
Electronic ISSN: 1543-1940
DOI: https://doi.org/10.1007/s11661-012-1475-z

Springer Professional

Abstract

Please log in to get access to your license.

Dont have a licence yet? Then find out more about our products and how to get one now:

Springer Professional "Wirtschaft+Technik"

Springer Professional "Technik"

Other articles of this Issue 1/2013

Influence of Gas Atmosphere Dew Point on the Selective Oxidation and the Reactive Wetting During Hot Dip Galvanizing of CMnSi TRIP Steel

True Hardness Evaluation of Bulk Metallic Materials in the Presence of Pile Up: Analytical and Enhanced Lobes Method Approaches

Friction Stir Welded AZ31 Magnesium Alloy: Microstructure, Texture, and Tensile Properties

Medium-Alloy Manganese-Rich Transformation-Induced Plasticity Steels

An Improved Theoretical Model for A-TIG Welding Based on Surface Phase Transition and Reversed Marangoni Flow

A Methodology for Determination of γ′ Site Occupancies in Nickel Superalloys Using Atom Probe Tomography and X-ray Diffraction

Premium Partners