Neutron diffuse scattering investigation of different states of local order in 62Ni0.765Fe0.235

Lefébvre, S.; Bley, F.; Fayard, M.; Roth, M.

doi:10.1016/0001-6160(81)90118-8

Cited by 61 publications

(81 citation statements)

References 18 publications

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“…where ( ) α r is the Warren-Cowley SRO parameter defined by the deviation of probability of finding of A (B)-kind atom at a distance r from B (A)-kind atom, [108,109] and Bley et al [110] have used a technique of elastic thermal-neutron diffuse scattering from the SRO in 62 Ni 0.765 Fe 0.235 solid solution to investigate the time-dependent evolution [110] of diffuse-scattering intensity distribution in k-space at different isothermal-annealing temperatures, T a , during the diffusion-controlled SRO relaxation to equilibrium states and its equilibrium pattern [108,109]. Microscopic activation characteristics of the SRO relaxation kinetics were determined [110].…”

Section: Total Interatomic 'Mixing' Energies For Fcc-ni-fe Alloysmentioning

confidence: 99%

“…Diffuse scattering intensity at the 'fundamental' point, I SRO ( ) Γ k , has been extracted by its extrapolation to Γ(0 0 0) point [108][109][110]119] from points lying at the distance of 0.1 units of reciprocal-lattice parameter from 'fundamental' reflection.…”

Section: Total Interatomic 'Mixing' Energies For Fcc-ni-fe Alloysmentioning

confidence: 99%

“…Just so, it is possible to evaluate both the microscopic characteristics of migration of each constituent (for atomic-scale diffusion acts inherently) and the equilibrium thermodynamic parameters of alloys. 1.2 −0.051 a [110], b [108], c [109], d [111], e [113], f [118], g [119]. r , estimated by Rossiter and Lawrence [72] with using the KCM formula are presented in Table 7.…”

Section: Total Interatomic 'Mixing' Energies For Fcc-ni-fe Alloysmentioning

confidence: 99%

“…[72,109,128], LIMCM [120] and CFM [52]) based on the diffuse scattering data (even extracted from scattering data for poly- Tables 5, 6). ponents corresponds to the X(0 0 1)-type point of the 1 st BZ surface that confirms a tendency to formation of the L1 2 -or L1 0 -type ordered structures.…”

Section: Total Interatomic 'Mixing' Energies For Fcc-ni-fe Alloysmentioning

confidence: 99%

“…Exactly so, the 'paramagnetic' 'mixing' energy Fourier components, Table 6 for single-crystal diffraction data according to [108][109][110][111][112][113][114][115][116][117][118][119]. •-results of calculation by Eqs.…”

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Interatomic Interactions in F.C.C.-Ni–Fe Alloys

Bokoch

Tatarenko

2010

Usp. Fiz. Met.

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Within the scope of the self-consistent-field (SCF) and mean-SCF (MSCF) approximations, static-concentration-waves and Matsubara-Kanzaki-Krivoglaz lattice statics methods, on the basis of state-of-the-art diffraction data concerning coherent and diffuse scattering of radiations in (dis)ordered f.c.c.-NiFe alloys for various composition-temperature regions, and on the basis of data of independent magnetic measurements, the regular parameterization and estimation of 'pair-wise' interatomic interactions of the various nature (namely, 'direct' short-range 'electrochemical' and magnetic contributions as well as indirect long-range 'strain-induced' interaction) have been carried out taking into account their concentration and temperature dependences. As shown unfortunately, many of available 'electrochemical' interaction parameters obtained with use of the well-known ab initio and semi-phenomenological computational methodologies are limited in their applications for the statisticalthermodynamic analysis of f.c.c.-Ni-Fe alloys because most of them are contrary to the regularities of a 'mixing'-energy symmetry and, as a result, to the symmetries of observed L1 2 -Ni 3 Fe-, L1 0 -NiFe-or L1 2 -Fe 3 Ni-type ordered phas- Fiz. Met. 2010, т. 11, сс. 413- The temperature dependence of total 'mixing' energy is mainly due to the significant temperature-dependent magnetic contribution to it, and there is no need to take into account the effects of both substitutional correlations between atoms and many-particle interatomic-force interactions for characterization of microstructures developed by atomic ordering and (or) solid-phase precipitation in f.c.c.-Ni-Fe alloys. As expected, within the scope of the MSCF approximation, the estimated energy parameters of 'exchange' interactions in 1 st coordination shell, J NiNi (r I ) and J NiFe (r I ), correspond to the ferromagnetic interaction between magnetic moments in Ni-Ni and Ni-Fe atomic pairs, and J FeFe (r I ) corresponds to the antiferromagnetic interaction between magnetic moments in Fe-Fe atomic pairs.У рамках наближень самоузгодженого (СУП) та середнього самоузгоджено-го (ССУП) полів, метод статичних концентраційних хвиль (СКХ) і статики ґратниці Мацубари-Канзакі-Кривоглаза, на основі сучасних дифракцій-них даних стосовно когерентного та дифузного розсіяння випромінення у (не)впорядкованих стопах ГЦК-Ni-Fe в широкій концентраційно-темпера-турній області, а також за даними незалежних магнетних мірянь виконано систематичну параметризацію та кількісний розрахунок енергій «парних» міжатомових взаємодій різної природи (а саме, «прямих» близькосяжних «електрохемічного» й магнетного внесків, а також непрямої далекосяжної «деформаційної» взаємодії) із врахуванням їх концентраційної і темпера-турної залежностей. Недвозначно показано, що більшість значень параме-трів «електрохемічних» взаємодій компонентів, наведених у спеціялізова-ній науковій літературі, яких було оцінено із застосуванням відомих «першопринципних» та напівфеноменологічних обчислювальних методо-логій, на жаль, не зад...

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Section: Total Interatomic 'Mixing' Energies For Fcc-ni-fe Alloysmentioning

confidence: 99%

Section: Total Interatomic 'Mixing' Energies For Fcc-ni-fe Alloysmentioning

confidence: 99%

Section: Total Interatomic 'Mixing' Energies For Fcc-ni-fe Alloysmentioning

confidence: 99%

Section: Total Interatomic 'Mixing' Energies For Fcc-ni-fe Alloysmentioning

confidence: 99%

mentioning

confidence: 99%

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Interatomic Interactions in F.C.C.-Ni–Fe Alloys

Bokoch

Tatarenko

2010

Usp. Fiz. Met.

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Short‐Range Order and Atomic Displacements in Ni–20 at% Cr Single Crystals

Schönfeld

Reinhard

Kostorz

et al. 1988

Physica Status Solidi (b)

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Ni-20 at% Cr single crystals aged a t 741, 828, and 973 K for up t o 480 h are investigated by elastic diffuse neutron scattering. The contributions due to short-range order and atomic size effect are separated by a least-squares fitting procedure. The short-range order with diffuse intensity maxima at 1 1/2 0 positions increases with decreasing ageing temperature. I n comparison, the intensity due to atomic displacements is weak. For the three ageing temperatures investigated the effective pair potentials, determined from the Clapp-Moss high temperature approximation as well as with a n inverse Monte-Carlo method, are very similar.Ni-20 Atyo Cr-Einkristalle, die bei 741, 828 und 973 K bis zu 480 h ausgelagert wurden, werden mit elastischer diffuser Neutronenstreuung untersucht. Die Beitrilge von Nahordnung und atomaren Verzerrungen werden nach der Methode der kleinsten Fehlerquadrate separiert. Die Nahordnung mit Intensitatsmaxima an 1 1/2 0 Positionen nimmt mit abnehmender Auslagerungstemperatur zu. Vergleichsweise niedrig ist der Beitrag der atomaren Verzerrungen. Bei den drei Buslagerungstemperatnren werden sehr ahnliche effektive Paarpotentiale gefunden, sowohl nach der Clapp-Moss-Hochtemperaturnaherng als auch nach einer inversen Monte-Carlo-Methode.

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Monte-Carlo study of short-range order reactions with activated diffusion

Pitsch

Gahn

1993

Steel Research

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By Monte Carlo simulations of short‐range order reactions in a rigid f.c.c. A75B25 computer crystal, applying two diffusion mechanisms either in‐ or excluding an activation barrier against the vacancy migration, it is found that in both cases the same final states are approached which are the thermodynamic equilibrium states. The reaction kinetics in dependence on the number of performed vacancy steps, however, are different. – The morphology of the vacancy path is the same for both mechanisms: this path is uniformly distributed in the crystal steadily filling up the crystal volume during the reaction, thus this path does not form separated compact regions. The explanation of this behaviour is deduced from the observation that for both diffusion mechanisms the vacancy visits preferentially those lattice sites the local short‐range order of which is lower than at the average whereas those sites with larger short‐range order are left unvisited. Since sites with a certain degree of local short‐range order are uniformly distributed over the crystal the vacancy path, following these sites, is spread in the same way.

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Neutron diffuse scattering investigation of different states of local order in 62Ni0.765Fe0.235

Cited by 61 publications

References 18 publications

Interatomic Interactions in F.C.C.-Ni–Fe Alloys

Interatomic Interactions in F.C.C.-Ni–Fe Alloys

Short‐Range Order and Atomic Displacements in Ni–20 at% Cr Single Crystals

Monte-Carlo study of short-range order reactions with activated diffusion

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