Abstract:Products of Al-deoxidation reaction in iron melt are the most common inclusions and play an important effect on steel performance. Understanding the thermodynamics on nano-alumina (or nano-hercynite) is very critical to explore the relationship between Al-deoxidation reaction and products growth in iron melt. In present study, a thermodynamic modeling of nano-alumina inclusions in Fe–O–Al melt has been developed. The thermodynamic results show that the Gibbs free energy changes for the formation of nano-Al2O3 … Show more
“…To study the evolution of alumina inclusions at the atom scale, Wang et al [19][20][21] investigated the cluster structure from experimental and theoretical aspects, and they proposed a two-step nucleation mechanism. Using quenching and three-dimensional atomic-probe detection technology, Zhao et al [22] captured the intermediate structure of titanium oxide, and they proposed the cluster-assisted nucleation mechanism.…”
It is difficult to observe the nucleation mechanism of inclusions in real-time. In this study, the nucleation process of zirconium oxide inclusions was systematically studied by classical nucleation theory and first principles. Zr deoxidized steel with 100 ppm Zr addition was processed into metallographic samples for scanning electron microscopy energy-dispersive spectroscopy observation. The electrolytic sample was analyzed by micro X-ray diffraction and transmission electron microscopy, and the zirconium oxide in the sample was determined to be ZrO2. The nucleation rate and radius of the ZrO2 inclusions were calculated by classical nucleation theory, and they were compared with the experimental values. There was a considerable difference between the experimental and theoretical values of the nucleation rate. The effect of the nucleation size was analyzed by first-principles calculation, and the thermodynamic properties of ZrO2 clusters and nanoparticles were analyzed by constructing (ZrO2)n (n = 1–6) clusters. The thermodynamic properties of ZrO2 calculated by first principles were consistent with the values in the literature. Based on two-step nucleation theory, the nucleation pathway of ZrO2 is as follows: Zratom + Oatom → (ZrO2)n → (ZrO2)2 → core (ZrO2 particle)–shell ((ZrO2)2 cluster) nanoparticle → (ZrO2)bulk.
“…To study the evolution of alumina inclusions at the atom scale, Wang et al [19][20][21] investigated the cluster structure from experimental and theoretical aspects, and they proposed a two-step nucleation mechanism. Using quenching and three-dimensional atomic-probe detection technology, Zhao et al [22] captured the intermediate structure of titanium oxide, and they proposed the cluster-assisted nucleation mechanism.…”
It is difficult to observe the nucleation mechanism of inclusions in real-time. In this study, the nucleation process of zirconium oxide inclusions was systematically studied by classical nucleation theory and first principles. Zr deoxidized steel with 100 ppm Zr addition was processed into metallographic samples for scanning electron microscopy energy-dispersive spectroscopy observation. The electrolytic sample was analyzed by micro X-ray diffraction and transmission electron microscopy, and the zirconium oxide in the sample was determined to be ZrO2. The nucleation rate and radius of the ZrO2 inclusions were calculated by classical nucleation theory, and they were compared with the experimental values. There was a considerable difference between the experimental and theoretical values of the nucleation rate. The effect of the nucleation size was analyzed by first-principles calculation, and the thermodynamic properties of ZrO2 clusters and nanoparticles were analyzed by constructing (ZrO2)n (n = 1–6) clusters. The thermodynamic properties of ZrO2 calculated by first principles were consistent with the values in the literature. Based on two-step nucleation theory, the nucleation pathway of ZrO2 is as follows: Zratom + Oatom → (ZrO2)n → (ZrO2)2 → core (ZrO2 particle)–shell ((ZrO2)2 cluster) nanoparticle → (ZrO2)bulk.
“…Calculated from Widon scaling relation δ = 1 + γ/β. (β = 0.325, γ = 1.24), 3D-XY model (β = 0.345, γ = 1.316), and tricritical mean-field model (β = 0.25, γ = 1.0)[12,26]. Obviously, the unparallel straight lines in fig.4(f) mean that the tricritical mean-field model does not apply either.…”
mentioning
confidence: 97%
“…In itinerant-electron systems, the second-order (critical) QPT is considered to be responsible for novel quantum phases like non-Fermiliquid behavior and magnetically mediated superconductivity in materials such as URhAl [8], MnSi [7,9], and UGe 2 [10]. Here we focus on the classical critical behavior of magnetization near FM transition temperature from which the nature of spin-spin interactions and the type of magnetic phase transition can be investigated [11,12].…”
mentioning
confidence: 99%
“…The universality class of the magnetic phase transition is dictated by the exchange distance J(r) in the homogeneous magnet. Based on a renormalization group theory analysis, the exchange distance J(r) decays with distance r as [27] J(r) ≈ r −(d+σ) , (12) where d stands for the spatial dimensionality and σ is a positive constant. And the susceptibility exponent γ is defined as…”
High-Curie-temperature ferromagnets are promising candidates for designing new spintronic devices. Here we have successfully synthesized the single crystal of the itinerant ferromagnet Mn5Ge3 using flux method. Its critical properties were investigated by means of bulk dc-magnetization at the boundary of the paramagnetic (PM) and ferromagnetic (FM) phase to determine intrinsic magnetic interactions. Critical exponents β = 0.336 0.001 with a critical temperature Tc = 300.29 0.01 K and γ = 1.193 0.003 with Tc = 300.15 0.05 K are acquired by the modified Arrott plot, whereas δ = 4.61 0.03 is deduced by a critical isotherm analysis at Tc = 300 K. The self-consistency and reliability of these critical exponents are verified by the Widom scaling law and the scaling equations. Further analysis reveals that the spin interaction in Mn5Ge3 exhibits three-dimensional Ising-like behavior. The magnetic exchange interaction is found to decay as J(r) r-4.855, meaning that the spin interactions exceed the nearest neighbors, which may be related to the different Mn–Mn interactions with inequal exchange strengths.
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