Transient Interface Sharpening in Miscible Alloys

Erdélyi, Zoltán; Sladecek, M.; Stadler, Lorenz-M.; Zizak, Ivo; Langer, G.A.; Kis-Varga, M.; Beke, D.L.; Sepioł, B.

doi:10.1126/science.1104400

Cited by 77 publications

(68 citation statements)

References 9 publications

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“…Для дифузійної пари з ОЦК-ґратницею і значною асиметрією був знайдений ефект упорядкування фази типу бета-латуні з концентраціями, значно меншими за стехіометричну. У попередніх роботах [4][5][6] застосовувався квазиодновимірний алґо-ритм для даного методу, у [7] він був модифікований для тривимір-ного випадку. У даній роботі було використано стохастичний три-вимірний кінетичний середньопольовий метод [8].…”

Section: основні положення базового та стохастичного кінетичного сереunclassified

Application of a Stochastic Kinetic Mean Field (SKMF) Method to Ordering Substitutional Atoms in Macro- and Nanosize F.C.C. Lattices

Bezpalchuk¹,

Pasichnyy²,

Гусак³

2016

Metallofiz. Noveishie Tekhnol.

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У роботі представлено застосування стохастичного кінетичного середньо-польового (SKMF-Stochastic Kinetic Mean Field) методу до впорядкуван-ня стопів типу A 3 B 1 . Продемонстровано синергію впорядкування і сеґре-ґації в кубічних наночастинках бінарного стопу. Проведено моделювання впливу розмірного ефекту та залежности впорядкування бінарного стопу від дифузійної асиметрії. Показано залежність часу затримки впорядку-вання фази А 3 В 1 від амплітуди шуму в методі SKMF і залежність парамет-ру порядку від температури за відсутности шуму. Змодельовано процес розпаду з упорядкуванням фази А 3 В 1 для метастабільного твердого роз-чину і вплив амплітуди шуму на нього.Ключові слова: дифузія, впорядкування, наносистема, середньопольовий метод, моделювання.В работе представлено применение стохастического кинетического сред-неполевого (SKMF-Stochastic Kinetic Mean Field) метода к процессу упо-рядочения сплавов типа A 3 B 1 . Продемонстрирована синергия упорядоче-ния и сегрегации в кубических наночастицах бинарного сплава. Проведе-но моделирование влияния размерного эффекта и зависимости упорядо-

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Section: основні положення базового та стохастичного кінетичного сереunclassified

Application of a Stochastic Kinetic Mean Field (SKMF) Method to Ordering Substitutional Atoms in Macro- and Nanosize F.C.C. Lattices

Bezpalchuk¹,

Pasichnyy²,

Гусак³

2016

Metallofiz. Noveishie Tekhnol.

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“…Recently, it was pointed out that chemical mixing by diffusion may even lead to sharpening of interfaces, if atomic mobilities in both phases differ by some orders of magnitude. 6 The explanation is straightforward. If the diffusivity decreases strongly with increasing A-atom concentration, movement of atoms in the pure A-phase and in the A-rich part of the interface is difficult.…”

mentioning

confidence: 99%

“…So the practical resolution will be much lower than the instrumental limits of a certain method. Techniques providing an average over a larger volume or surface area (e.g., X-ray 6 or neutron beam based methods, Auger analysis) include signals of GBs and other defects, which may produce artifacts in data evaluation or interpretation. An ideal method to study interfaces must therefore be local, projection-free, and chemically sensitive in subnanometer range.…”

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confidence: 99%

Interface sharpening in miscible Ni/Cu multilayers studied by atom probe tomography

Balogh

Chellali

Greiwe

et al. 2011

Applied Physics Letters

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Interfaces of Ni/Cu multilayers were studied by atom probe tomography. To this aim, specimens with sharp or artificially smeared interfaces were prepared and investigated before and after annealing at 773 K. Owing to three-dimensional subnanometer resolution of the atom probe, local chemical analysis of layer interfaces becomes possible without interferences of grain boundaries or geometric roughness. In contrast to the classical expectation for a miscible system, but in agreement with more recent theoretical considerations, diffusion reduces the chemical width of the interfaces by up to 50%.

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“…Among other interesting results, they predicted a possibility of sharpening the concentration profile at the initial stage of interdiffusion (instead of a standard case of its broadening) [5,6]. This prediction was checked and proved experimentally.…”

mentioning

confidence: 88%

“…The method called 'kinetic mean field' was originally proposed by George Martin in 1990 [4] as a pseudo-1D-algorithm. The technique was then applied to nanofilms with diffusion asymmetry in the series of papers by Z. Erdelyi, D. Beke et al [5][6][7][8], extended to 3D [9], and recently generalized to first-order transformations by introducing dynamic noise of jump frequencies in the kinetic master equations ('stochastic KMF' (SKMF) [10].) The Martin's version of KMF approach is not the only one [11][12][13][14].…”

Section: Introductionmentioning

confidence: 99%

Simulation of the Tracer Diffusion, Bulk Ordering, and Surface Reordering in F.C.C. Structures by Kinetic Mean-Field Method

2017

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Tracer diffusion and 'chemical' (atomic) ordering processes in two facecentred cubic (f.c.c.) binary systems mimicking Ni 3 Al and FePt were simulated by means of the kinetic mean-field (KMF) method originally proposed by G. Martin in 1990. The systems simulated within the present work were modelled with fixed pair-interaction parameters and saddlepoint energies adopted earlier via the comparison of Monte Carlo method modelling and experimental data. In a simulation of tracer migration as well as ordering, the focus was attracted to comparison of activation energies rather than pre-exponential factors of kinetic coefficients. Generally, the mean-field models cannot properly take into account correlation effect that could be important for the tracer diffusion especially for the B2 structures. However, at least for the f.c.c. structures, application of KMF to diffusion and ordering seems demonstrating very reasonable results qualitatively similar to those obtained in kinetic Monte Carlo (KMC) method and realistic experiments. Modelling of Ni-and Al-tracer diffusion in Ni 3 Al system shows higher diffusivity of Ni atoms as compared with Al ones that is attributed to easier intrasublattice diffusion channel for the Ni atoms in the L1 2 -Ni 3 Al superstructure. Also, the obtained activation energy for the tracer Al atoms is higher, and its value is closer to activation energy of ordering kinetics. Computer experiments for the ordering kinetics showed that, in contrast to exchange mechanism, L1 2 -type ordering kinetics is described via two relaxation times in case of the vacancy diffusion mechanism. Modelling of the discontinuous process of the surface-induced re-orientation of the monatomic Fe and Pt planes in thin FePt film was, in turn, a good test for the stochastic variant of the KMF (SKMF) method. The fact that implementation of the stochastic noise was Fiz. Met. 2017, т. 3, сс. 205- В работе рассматривается диффузия меченых атомов и процесс «хими-ческого» (атомного) упорядочения в двух бинарных системах с гране-центрированной кубической (ГЦК) структурой Ni 3 Al и FePt с использо-ванием среднеполевого кинетического метода (KMF), предложенного Ж. Мартаном в 1990 г. Для указанных систем использовались фикси-рованные значения парных энергий взаимодействия и энергий седловой точки, подобранные ранее путём сравнения моделирования методом Монте-Карло и экспериментальных данных. В моделировании диффу-зии меченых атомов, а также упорядочения их основной акцент на-правлен на сравнение энергий активации, а не предэкспонентных мно-жителей кинетических коэффициентов. В общем случае модели средне-го поля не могут правильно учитывать корреляционный эффект, кото-рый может быть существенным для диффузии меченых атомов, особен-но для структур типа В2. Однако, по крайней мере, для ГЦК-структур, применение KMF к диффузии и упорядочению демонстрирует доста-точно реалистичные результаты, качественно схожие с теми, которые Keywords: kinetic mean-field method, tracer diffusion, ordering kinetics, atomistic simulation, intermetallics....

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Transient Interface Sharpening in Miscible Alloys

Cited by 77 publications

References 9 publications

Application of a Stochastic Kinetic Mean Field (SKMF) Method to Ordering Substitutional Atoms in Macro- and Nanosize F.C.C. Lattices

Application of a Stochastic Kinetic Mean Field (SKMF) Method to Ordering Substitutional Atoms in Macro- and Nanosize F.C.C. Lattices

Interface sharpening in miscible Ni/Cu multilayers studied by atom probe tomography

Simulation of the Tracer Diffusion, Bulk Ordering, and Surface Reordering in F.C.C. Structures by Kinetic Mean-Field Method

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