Energetic materials for nanocrystalline stainless steel production

Farinha, A.R.; Tavares, Beatriz; Mendes, R.; Vieira, M.T.

doi:10.1016/j.jallcom.2011.11.139

Cited by 6 publications

(3 citation statements)

References 14 publications

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“…Technologically important Fe-Ni-Cr austenitic steels [1,2,8] are usually produced at high temperatures, 1000°C or higher [9]. At reactor-relevant operating temperatures of over 0.3 T m , where T m is the melting temperature, and at a high irradiation dose [10], the structure of alloys is close to a completely random solid mixture.…”

Section: Random Fe-ni-cr Mixturesmentioning

confidence: 99%

Magnetic cluster expansion model for random and ordered magnetic face-centered cubic Fe-Ni-Cr alloys

Lavrentiev

Wróbel

Nguyen-Manh

et al. 2016

Journal of Applied Physics

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A Magnetic Cluster Expansion (MCE) model for ternary face-centered cubic Fe-Ni-Cr alloys has been developed using DFT data spanning binary and ternary alloy configurations. Using this MCE model Hamiltonian, we perform Monte Carlo simulations and explore magnetic structures of alloys over the entire range of alloy compositions, considering both random and ordered alloy structures. In random alloys, the removal of magnetic collinearity constraint reduces the total magnetic moment but does not affect the predicted range of compositions where the alloys adopt low temperature ferromagnetic configurations. During alloying of ordered fcc Fe-Ni compounds with Cr, chromium atoms tend to replace nickel rather than iron atoms. Replacement of Ni by Cr in alloys with high iron content increases the Curie temperature of the alloys. This can be explained by strong antiferromagnetic Fe-Cr coupling, similar to that found in bcc Fe-Cr solutions, where the Curie temperature increase, predicted by simulations as a function of Cr concentration, is confirmed by experimental observations. Recently, we have developed an ab initio parameterized Heisenberg-Landau lattice Hamiltonian-based Magnetic Cluster Expansion (MCE) model for binary fcc Fe-Ni [3]. To describe the high-and low-spin magnetic configurations of fcc Fe, terms up to the 8 th order in atomic magnetic moment were included in the Landau expansion for the on-site terms in the Hamiltonian. Thermodynamic and magnetic properties of the alloys were explored, using configurational and magnetic Monte Carlo simulations, over a broad temperature range extending well over 1000 K. The predicted fcc-bcc coexistence curve, the phase stability of ordered Fe 3 Ni, FeNi, and FeNi 3 intermetallic compounds, and the predicted temperatures of magnetic transitions simulated as functions of alloy compositions were found to agree well with experimental observations. In particular, simulations show that magnetic interactions stabilize fcc phases of binary Fe-Ni alloys. Parameters of the MCE model for Fe-Ni alloys were derived from DFT calculations performed for a large number of representative atomic configurations, as well as from DFT data on pure fcc Ni and Fe. The success of that model, together with the availability of DFT data accumulated in the context of a recent comprehensive ab initio investigation of Fe-Ni-Cr alloys [4], makes it possible to extend MCE to ternary fcc Fe-Ni-Cr alloys. The MCE model for ternary Fe-Ni-Cr alloys is the first example of application of Magnetic Cluster Expansion to a magnetic alloy containing more than two components. The initial parameterization of the Fe-Ni-Cr MCE Hamiltonian, and initial simulations performed using this Hamiltonian, are described in Ref. [4]. Here we describe an improved more accurate MCE model based on a larger DFT database of structures and magnetic configurations. Monte Carlo simulations using the MCE Hamiltonian span both random and ordered alloy structures. The advantages of MCE include the possibility of simulating a broad range of all...

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Section: Random Fe-ni-cr Mixturesmentioning

confidence: 99%

Magnetic cluster expansion model for random and ordered magnetic face-centered cubic Fe-Ni-Cr alloys

Lavrentiev

Wróbel

Nguyen-Manh

et al. 2016

Journal of Applied Physics

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“…Submerged glow-discharge plasma has been researched as a method of nanoparticles (nanoballs) synthesis method. [1][2][3][4][5][6][7][8][9][10][11][12][13][14] The discovery of formation of metallic nanoballs 1) during plasma electrolysis has been documented. [2][3][4][5][6][7] The product that was obtained from the electrolyte plasma electrolysis was found to be uniformly-shaped spherical particles called "nanoballs".…”

Section: Introductionmentioning

confidence: 99%

Formation of Stainless Steel Nanoballs via Submerged Glow-discharge Plasma and their Microstructural Analysis with Evaluation of Photocatalytic Activity

et al. 2018

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Stainless steel has shown potential as a catalytic material in bulk form. However, it only becomes active in an aqueous acidic environment and elevated temperatures. This study aims to produce stainless steel nanoparticles that have high photocatalytic activity in a neutral medium and at room temperature and to elucidate the photocatalytic activity mechanism of the nanoparticles. Spherical, photocatalytic nanoparticles called "nanoballs" were synthesized by the submerged glow-discharge method. Stainless steel SUS316L grade wire was used as the cathode, platinum mesh was used as the anode while the electrolyte was potassium carbonate. The nanoballs were obtained after centrifuging and washing with water. The physical characteristics of the photocatalytic nanoballs were analysed by scanning electron microscopy, high-resolution transmission electron microscopy, energy-dispersive X-ray spectroscopy and X-ray diffraction. The nanoballs were mixed with methylene blue and irradiated with ultraviolet light for the evaluation of photocatalytic reaction. The photodecomposition samples were determined using UV-vis spectrometry. The by-products of the photodecomposition were evaluated using mass spectrometry. The results show that stainless steel nanoballs have photocatalytic activity when irridiated with ultraviolet light at room temperature. Submerged glow-discharge plasma method can synthesize nanoparticles rapidly using only metal wires as the electrode.

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“…Other studies of 316L stainless steel powder concerning the consolidation by explosives in a cylindrical configuration of nanosized particles (d 50 = 76 nm), where major phase is bcc with traces cfc For detonation velocities less than or equal to 4 mm/ls the initial phases were retaining [5]. When the nanopowder was processed with an explosive composition that promotes a detonation velocity of 5 mm/ls, the austenite content increased in the centre of the cylinder [6].…”

Section: Introductionmentioning

confidence: 99%

Explosive consolidation of 316L stainless steel powder – Effect of phase composition

Farinha

Vieira

Mendes

2014

Advanced Powder Technology

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Energetic materials for nanocrystalline stainless steel production

Cited by 6 publications

References 14 publications

Magnetic cluster expansion model for random and ordered magnetic face-centered cubic Fe-Ni-Cr alloys

Magnetic cluster expansion model for random and ordered magnetic face-centered cubic Fe-Ni-Cr alloys

Formation of Stainless Steel Nanoballs via Submerged Glow-discharge Plasma and their Microstructural Analysis with Evaluation of Photocatalytic Activity

Explosive consolidation of 316L stainless steel powder – Effect of phase composition

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