First-principles study of elastic properties of Cr- and Fe-rich Fe-Cr alloys

Razumovskiy, Vsevolod I.; Ruban, Andrei V.; Korzhavyi, Pavel A.

doi:10.1103/physrevb.84.024106

Cited by 54 publications

(30 citation statements)

References 58 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…We use the generalized gradient approximation of Perdew and Wang [14] and projected augmented wave potentials [15]. We found that a plane wave energy cutoff of 350 eV is large enough for all metal systems to ensure the total energy and stress convergence, consistent with previous calculations [6,11,[16][17][18][19][20]. The Brillouin zone sampling was performed using the Monkhorst-Pack scheme [21], with 6 × 6 × 6 k-point meshes for a 32 atom supercell in fcc metals and 5 × 5 × 5 k-point meshes for a 54 atom supercell in bcc metals.…”

supporting

confidence: 58%

Stress tensor: A quantitative indicator of effective volume and stability of helium in metals

Zhou

Jin

Shu

et al. 2011

EPL

View full text Add to dashboard Cite

We demonstrate a quantitative stress indicator as well as a qualitative hard-sphere lattice model to characterize the effective volume and stability of interstitial helium in fcc and bcc metals, based on extensive first-principles total-energy and lattice stress calculations in combination with continuum elastic theory analyses. The concept of stress indicator is believed to be generally applicable to quantify the relative stability of other inert gas elements in metals.

show abstract

supporting

confidence: 58%

Stress tensor: A quantitative indicator of effective volume and stability of helium in metals

Zhou

Jin

Shu

et al. 2011

EPL

View full text Add to dashboard Cite

show abstract

“…Moreover, elastic lattice strain induced by semi-coherent precipitate–matrix interfaces is low enough to be negligible. Instead, the difference in shear moduli between the BCC precipitates and matrix is high (Δ G = G BCC – G matrix = 100–85 = 15 GPa, where G BCC is adopted from the data of a Cr−22 at% Fe alloy 51 , 52 and G matrix is a value selected between the shear modulus of CoCrFeNi 17 and that of CoCrNi 16 ). Therefore, modulus strengthening Δ σ ms , which should be the primary contribution to the strength increase, is given by 19 : where m is a constant and is equal to 0.85 for FCC-based alloys.…”

Section: Methodsmentioning

confidence: 99%

High-content ductile coherent nanoprecipitates achieve ultrastrong high-entropy alloys

et al. 2018

View full text Add to dashboard Cite

Precipitation-hardening high-entropy alloys (PH-HEAs) with good strength−ductility balances are a promising candidate for advanced structural applications. However, current HEAs emphasize near-equiatomic initial compositions, which limit the increase of intermetallic precipitates that are closely related to the alloy strength. Here we present a strategy to design ultrastrong HEAs with high-content nanoprecipitates by phase separation, which can generate a near-equiatomic matrix in situ while forming strengthening phases, producing a PH-HEA regardless of the initial atomic ratio. Accordingly, we develop a non-equiatomic alloy that utilizes spinodal decomposition to create a low-misfit coherent nanostructure combining a near-equiatomic disordered face-centered-cubic (FCC) matrix with high-content ductile Ni3Al-type ordered nanoprecipitates. We find that this spinodal order–disorder nanostructure contributes to a strength increase of ~1.5 GPa (>560%) relative to the HEA without precipitation, achieving one of the highest tensile strength (1.9 GPa) among all bulk HEAs reported previously while retaining good ductility (>9%).

show abstract

“…However, the misfit can be enhanced if intermixing between Fe and Cr layers at the Fe/Cr interface is considered. 38 The presence of intermixing at the Fe/Cr interface has been suggested in previous studies. 39 To clarify this issue, the elemental composition of MgO/Fe/Cr/MgO with an Fe thickness of 1.5 nm and an MgO thickness of 3 nm was studied by electron energy loss spectroscopy (EELS).…”

Section: Resultsmentioning

confidence: 59%

The effect of the MgO buffer layer thickness on magnetic anisotropy in MgO/Fe/Cr/MgO buffer/MgO(001)

Kozioł–Rachwał

Nozaki

Zayets

et al. 2016

Journal of Applied Physics

View full text Add to dashboard Cite

The relationship between the magnetic properties and MgO buffer layer thickness d was studied in epitaxial MgO/Fe(t)/Cr/MgO(d) layers grown on MgO(001) substrate in which the Fe thickness t ranged from 0.4 nm to 1.1 nm. For 0.4 nm t 0.7 nm, a non-monotonic coercivity dependence on the MgO buffer thickness was shown by perpendicular magneto-optic Kerr effect magnetometry. For thicker Fe films, an increase in the buffer layer thickness resulted in a spin reorientation transition from perpendicular to the in-plane magnetization direction. Possible origins of these unusual behaviors were discussed in terms of the suppression of carbon contamination at the Fe surface and changes in the magnetoelastic anisotropy in the system. These results illustrate a method to control magnetic anisotropy in MgO/Fe/Cr/MgO(d) via an appropriate choice of MgO buffer layer thickness d.

show abstract

First-principles study of elastic properties of Cr- and Fe-rich Fe-Cr alloys

Cited by 54 publications

References 58 publications

Stress tensor: A quantitative indicator of effective volume and stability of helium in metals

Stress tensor: A quantitative indicator of effective volume and stability of helium in metals

High-content ductile coherent nanoprecipitates achieve ultrastrong high-entropy alloys

The effect of the MgO buffer layer thickness on magnetic anisotropy in MgO/Fe/Cr/MgO buffer/MgO(001)

Contact Info

Product

Resources

About