Analysis of shape, orientation and interface properties of Mo<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si15.svg"><mml:msub><mml:mrow/><mml:mn>2</mml:mn></mml:msub></mml:math>C precipitates in Fe using ab-initio and finite element method calculations

Leitner, Silvia; Scheiber, Daniel; Dengg, Thomas; Spitaler, Jürgen; Antretter, Thomas; Ecker, Werner

doi:10.1016/j.actamat.2020.11.020

Cited by 10 publications

(1 citation statement)

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“…13(b). According to the calculated interfacial energy by the first-principles calculation in the Cordered M 2 C carbide, the interface corresponding to is more stable when terminating (0001) Mo2C with Mo atoms 52) . The C sites will not appear at the interface of , which is a relatively (0001) Mo2C broad interface among the needle sides.…”

Section: Crystal Structure Of Mo Carbide and Hydrogen Trapmentioning

confidence: 99%

Hydrogen Trapping and Precipitation of Alloy Carbides in Molybdenum Added Steels and Vanadium Added Steels

Taniguchi,

Kameya,

Kobayashi

et al. 2024

ISIJ Int.

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Martensitic steels of Fe-0.1%C-2%Mn-1.6%Mo and Fe-0.1%C-2%Mn-0.2%V alloys were subjected to tempering at 873 K to investigate the hydrogen trapping of Mo and V carbides. We analyzed the alloy carbides in detail via atomic-resolution scanning transmission electron microscopy and atom probe tomography, and evaluated hydrogen trapping energy via ab initio calculations. The hydrogen content of the Mo-added steel tempered for 1.8 ks increased from that of the quenched Mo-added steel, and the hydrogen content monotonically decreased as the tempering time increased. The hydrogen content of the V-added steels increased during tempering up to 7.2 ks and then remained almost constant. A plate-shaped B1-type Mo carbide with a chemical composition of MoC 0.50 precipitated in the Mo-added steel tempered for 3.6 ks. Needleshaped HCP Mo 2 C precipitated and the B1-type Mo carbide decreased in the Mo-added steel tempered for 14.4 ks. A plate-shaped B1-type V carbide with a chemical composition of VC 0.75 precipitated in the V-added steel tempered for 14.4 ks. We found a positive correlation between the hydrogen content and the product of the interface area and the carbon vacancy fraction of the B1type alloy carbide. The hydrogen trapping energy of the carbon vacancy at the interface between BCC-Fe and the B1-type Mo carbide was higher than that of the interstitial sites in BCC-Fe. These results suggest that the main trapping site in the tempered Mo-added steel was the carbon vacancy at the interface of B1-type MoC 0.50 , not HCP Mo 2 C.

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Section: Crystal Structure Of Mo Carbide and Hydrogen Trapmentioning

confidence: 99%