X-ray absorption investigation of local structural disorder in Ni1-xFex (x=0.10, 0.20, 0.35, and 0.50) alloys

Zhang, Fuxiang X.; Jin, Ke; Zhao, Shijun; Mu, Sai; Bei, Hongbin; Liu, Jiachao C.; Xue, Haizhou Z.; Popov, Dimitry; Park, Changyong; Stocks, George Malcolm; Weber, William J.; Zhang, Yanwen

doi:10.1063/1.4982705

Title: X-ray absorption investigation of local structural disorder in Ni_1-xFe_x (x=0.10, 0.20, 0.35, and 0.50) alloys

Journal Article · Thu Apr 27 00:00:00 EDT 2017 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.4982705· OSTI ID:1354651

Zhang, Fuxiang X. ^[1]; Jin, Ke ^[1]; Zhao, Shijun ^[1]; Mu, Sai ^[1]; Bei, Hongbin ^[1]; Liu, Jiachao C. ^[2]; Xue, Haizhou Z. ^[3]; Popov, Dimitry ^[4]; Park, Changyong ^[4]; Stocks, George Malcolm ^[1]; Weber, William J. ^[1]; Zhang, Yanwen ^[1]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division
Univ. of Michigan, Ann Arbor, MI (United States). Dept. of Earth and Environmental Sciences
Univ. of Tennessee, Knoxville, TN (United States). Dept. of Materials Science and Engineering
Carnegie Inst. of Washington, Argonne, IL (United States). Geophysical Lab., High Pressure Collaborative Access Team (HPCAT)

Defect energetics in structural materials has long been recognized to be affected by specific alloy compositions. Significantly enhanced radiation resistance has recently been observed in concentrated solid-solution alloys. However, the link between local structural disorder and modified defect dynamics in solid solutions remains unclear. To reveal the atomic-level lattice distortion, the local structures of Ni and Fe in Ni_1-xFe_x (x=0.1, 0.2, 0.35 and 0.5) solid solution alloys were measured with extended X-ray absorption fine structure (EXAFS) technique. The lattice constant and the first-neighbor distances increase with the increase of Fe content in the solid solutions. EXAFS measurements have revealed that the bond length of Fe with surrounding atoms is 0.01-0.03 larger than that of Ni in the alloy systems. Debye-Waller factor of the Fe-Fe bonds in all the systems is also slightly larger than that of the Ni-Ni bond. EXAFS fitting suggests that the local structural disorder is enhanced with the addition of Fe elements in the solid solution. The local bonding environments from ab initio calculation are in good agreement with the experimental results, which suggest that the Fe has a larger first-neighbor bonding distance than that of Ni, and thus Ni atom inside the Ni-Fe solid solution alloys undergoes compressive strain.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Energy Frontier Research Centers (EFRC) (United States). Energy Dissipation to Defect Evolution (EDDE)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC05-00OR22725; AC02-06CH11357; FG02-99ER45775; NA0001974

OSTI ID:: 1354651

Alternate ID(s):: OSTI ID: 1361860

Journal Information:: Journal of Applied Physics, Vol. 121, Issue 16; ISSN 0021-8979

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 4 works

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References (35)

ATHENA , ARTEMIS , HEPHAESTUS : data analysis for X-ray absorption spectroscopy using IFEFFIT Ravel, B.; Newville, M. Journal of Synchrotron Radiation, Vol. 12, Issue 4 https://doi.org/10.1107/S0909049505012719	journal	June 2005
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Local structure studies of CoFeMnX (X = Si and Ge) Heusler alloys using X-ray absorption spectroscopy Bainsla, Lakhan; Yadav, A. K.; Venkateswara, Y. Journal of Alloys and Compounds, Vol. 651 https://doi.org/10.1016/j.jallcom.2015.08.131	journal	December 2015
Properties of Ni1−xFex (0.1<x<0.9) and Invar (x=0.64) alloys obtained by electrodeposition Tabakovic, Ibro; Inturi, Venkateswara; Thurn, Jeremy Electrochimica Acta, Vol. 55, Issue 22 https://doi.org/10.1016/j.electacta.2010.05.095	journal	September 2010
Soft magnetic composite based on mechanically alloyed nanocrystalline Ni3Fe phase Chicinas, I.; Geoffroy, O.; Isnard, O. Journal of Magnetism and Magnetic Materials, Vol. 290-291 https://doi.org/10.1016/j.jmmm.2004.11.249	journal	April 2005
Determination of the Fe−Ni phase diagram below 400°C Reuter, K. B.; Williams, D. B.; Goldstein, J. I. Metallurgical Transactions A, Vol. 20, Issue 4 https://doi.org/10.1007/BF02667589	journal	April 1989
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
Electronic properties of random alloys: Special quasirandom structures Wei, S. -H.; Ferreira, L. G.; Bernard, James E. Physical Review B, Vol. 42, Issue 15 https://doi.org/10.1103/PhysRevB.42.9622	journal	November 1990
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Kresse, G.; Furthmüller, J. Computational Materials Science, Vol. 6, Issue 1, p. 15-50 https://doi.org/10.1016/0927-0256(96)00008-0	journal	July 1996
Local Atomic Arrangements in $Fe_{63.2} Ni_{36.8}$ Invar from Diffuse X-Ray Scattering Measurements Robertson, J. L.; Ice, G. E.; Sparks, C. J. Physical Review Letters, Vol. 82, Issue 14 https://doi.org/10.1103/PhysRevLett.82.2911	journal	April 1999
An Approximate Theory of Order in Alloys Cowley, J. M. Physical Review, Vol. 77, Issue 5 https://doi.org/10.1103/PhysRev.77.669	journal	March 1950
Origin of the Invar effect in iron–nickel alloys van Schilfgaarde, Mark; Abrikosov, I. A.; Johansson, B. Nature, Vol. 400, Issue 6739 https://doi.org/10.1038/21848	journal	July 1999
Debye–Waller Factors and Absorptive Scattering Factors of Elemental Crystals Peng, L. -M.; Ren, G.; Dudarev, S. L. Acta Crystallographica Section A Foundations of Crystallography, Vol. 52, Issue 3 https://doi.org/10.1107/S010876739600089X	journal	May 1996
Magnetism and magnetic asphericity in NiFe alloys Sanyal, Biplab; Mookerjee, Abhijit Physics Letters A, Vol. 246, Issue 1-2 https://doi.org/10.1016/S0375-9601(98)00481-2	journal	September 1998
Polarized x-ray-absorption spectroscopy of the uranyl ion: Comparison of experiment and theory Hudson, E. A.; Allen, P. G.; Terminello, L. J. Physical Review B, Vol. 54, Issue 1 https://doi.org/10.1103/PhysRevB.54.156	journal	July 1996
A revision of the Fe-Ni phase diagram at low temperatures (<400 °C) Yang, C. -W.; Williams, D. B.; Goldstein, J. I. Journal of Phase Equilibria, Vol. 17, Issue 6 https://doi.org/10.1007/BF02665999	journal	December 1996
Effects of Fe concentration on the ion-irradiation induced defect evolution and hardening in Ni-Fe solid solution alloys Jin, Ke; Guo, Wei; Lu, Chenyang Acta Materialia, Vol. 121 https://doi.org/10.1016/j.actamat.2016.09.025	journal	December 2016
Ca K -edge X-ray absorption fine structure in BaTiO ₃ -CaTiO ₃ solid solutions Krayzman, V.; Levin, I.; Woicik, J. C. Journal of Applied Physics, Vol. 113, Issue 4 https://doi.org/10.1063/1.4784226	journal	January 2013
The Compressibility of Media under Extreme Pressures Murnaghan, F. D. Proceedings of the National Academy of Sciences, Vol. 30, Issue 9 https://doi.org/10.1073/pnas.30.9.244	journal	September 1944
Phase stability, EXAFS investigation and correlation between nanostructure and extrinsic magnetic properties of nanocrystalline Pr2(Co,Fe)7 Bez, Riadh; Fersi, Riadh; Zehani, Karim Journal of Alloys and Compounds, Vol. 666 https://doi.org/10.1016/j.jallcom.2016.01.115	journal	May 2016
Phase and magnetic studies of the high-energy alloyed Ni–Fe Jiraskova, Y.; Bursik, J.; Turek, I. Journal of Alloys and Compounds, Vol. 594 https://doi.org/10.1016/j.jallcom.2014.01.138	journal	May 2014
Defect energetics of concentrated solid-solution alloys from ab initio calculations: Ni _0.5 Co _0.5 , Ni _0.5 Fe _0.5 , Ni _0.8 Fe _0.2 and Ni _0.8 Cr _0.2 Zhao, Shijun; Stocks, G. Malcolm; Zhang, Yanwen Physical Chemistry Chemical Physics, Vol. 18, Issue 34 https://doi.org/10.1039/C6CP05161H	journal	January 2016
Influence of chemical disorder on energy dissipation and defect evolution in concentrated solid solution alloys Zhang, Yanwen; Stocks, G. Malcolm; Jin, Ke Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms9736	journal	October 2015
Special quasirandom structures Zunger, Alex; Wei, S.-H.; Ferreira, L. G. Physical Review Letters, Vol. 65, Issue 3, p. 353-356 https://doi.org/10.1103/PhysRevLett.65.353	journal	July 1990
The Relationship of Lattice Spacings and Magnetic Properties Pearson, W. B. A Handbook of Lattice Spacings and Structures of Metals and Alloys https://doi.org/10.1016/B978-1-4832-1318-7.50008-5	book	January 1958
Neutron scattering lengths and cross sections Sears, Varley F. Neutron News, Vol. 3, Issue 3 https://doi.org/10.1080/10448639208218770	journal	January 1992
Atomic-scale properties of Ni-based FCC ternary, and quaternary alloys Tamm, Artur; Aabloo, Alvo; Klintenberg, Mattias Acta Materialia, Vol. 99 https://doi.org/10.1016/j.actamat.2015.08.015	journal	October 2015
High-precision sampling for Brillouin-zone integration in metals Methfessel, M.; Paxton, A. T. Physical Review B, Vol. 40, Issue 6 https://doi.org/10.1103/PhysRevB.40.3616	journal	August 1989
Microstructures and mechanical properties of a directionally solidified NiAl–Mo eutectic alloy Bei, H.; George, E. P. Acta Materialia, Vol. 53, Issue 1 https://doi.org/10.1016/j.actamat.2004.09.003	journal	January 2005
Local atomic order and individual pair displacements of ${Fe}_{46.5}$ ${Ni}_{53.5}$ and ${Fe}_{22.5}$ ${Ni}_{77.5}$ from diffuse x-ray scattering studies Jiang, X.; Ice, G. E.; Sparks, C. J. Physical Review B, Vol. 54, Issue 5 https://doi.org/10.1103/PhysRevB.54.3211	journal	August 1996
Coherent versus Uncorrelated Nanoscale Heterogeneities in L 1 ₀ Solid Solutions and Their Signatures from Local and Extended Probes Howell, Rafael C.; Conradson, Steven D.; Garcia-Adeva, Angel J. The Journal of Physical Chemistry B, Vol. 111, Issue 1 https://doi.org/10.1021/jp062366p	journal	January 2007
Theoretical approaches to x-ray absorption fine structure Rehr, J. J.; Albers, R. C. Reviews of Modern Physics, Vol. 72, Issue 3 https://doi.org/10.1103/RevModPhys.72.621	journal	July 2000
Giant magnetoresistive in soft ferromagnetic multilayers Dieny, B.; Speriosu, V. S.; Parkin, S. S. P. Physical Review B, Vol. 43, Issue 1 https://doi.org/10.1103/PhysRevB.43.1297	journal	January 1991
Order-Disorder Transitions in Iron-Nickel (50%-50%) Alloys from Iron Meteorites as Studied by Mössbauer Spectroscopy Larsen, L.; Roy-Poulsen, H.; Roy-Poulsen, N. O. Physical Review Letters, Vol. 48, Issue 15 https://doi.org/10.1103/PhysRevLett.48.1054	journal	April 1982
Local Atomic Structure of Partially Ordered NiMn in NiMn/NiFe Exchange Coupled Layers: 1. XAFS Measurements and Structural Refinement Espinosa-Faller, Francisco J.; Howell, Rafael C.; Garcia-Adeva, Angel J. The Journal of Physical Chemistry B, Vol. 109, Issue 20 https://doi.org/10.1021/jp037449+	journal	April 2005

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Title: X-ray absorption investigation of local structural disorder in Ni1-xFex (x=0.10, 0.20, 0.35, and 0.50) alloys

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Title: X-ray absorption investigation of local structural disorder in Ni_1-xFe_x (x=0.10, 0.20, 0.35, and 0.50) alloys