First principle calculation laves phase fe2nb
WebMay 1, 2009 · Moriya et al. 16 showed by first-principles calculations that the crystal-field parameter, A 2 0 , at the Nd ion has a negative value when the Nd ion in the (001) plane … WebJul 5, 2016 · By definition, the term “first-principles” represents a philosophy that the prediction is to be based on a basic, fundamental proposition or assumption that cannot be deduced from any other proposition or assumption.
First principle calculation laves phase fe2nb
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WebFirst-principles calculations The calculations were carried out using the FP-LAPW method, as implemented in the WIEN2k code [25]. The exchange–correlation interaction was treated using the generalized gradient approximation (GGA) by Perdew, Burke, and Ernzerhof (PBE) potential [26]. WebFeb 22, 2024 · Phase equilibria in Fe-Ni-Nb ternary system at elevated temperatures have been examined, in order to identify the two-phase region of γ-Fe (austenite) Phase …
WebThe Laves phase Fe 2 Mo is an intermetallic compound that can be precipitated from solid solutions as a result of product operation at high temperatures and under irradiation … WebMar 1, 2008 · In fact, the Fe 2 Nb Laves phase C14 is known to exhibit a complex magnetic structure due to details of the Fermi surface [2]: while C14-Fe 2 Nb is paramagnetic …
WebAug 7, 2024 · The creep strength of these alloys at 973 K (700 °C) was found to be comparable with traditional 9 pct Cr ferritic–martensitic steels. A few FCA alloys with general composition of Fe-30Cr-3Al-.2Si-xNb (x = 0, 1, or 2) with a ferrite matrix and Fe2Nb-type Laves precipitates were prepared. WebOct 20, 2014 · Fig. 1 is the equilibrium phase diagram of Fe–20Cr–30Ni–2Nb (at%) heat resistant steel calculated by Thermal-Calc software. Fig. 1 shows that typical phases are γ (austenite) and Ni 3 Nb in Fe–20Cr–30Ni–2Nb (at%) alloy at 800 °C. The equilibrium mole fraction of γ phase is about 90% and that of Ni 3 Nb is nearly 10%.
WebThe melting temperatures of the pure metals as well L M dFe + Fe2Nb was determined as 8.2 ± 0.7 at.% (the as the temperature of the c/d transformation in pure Fe are compositions of all phases at the invariant reactions are given taken from [2002Oka]. In addition, EPMA [1991Zel, in Table 3).
Web2Nb is 1.630, and it increases close to the cubic symmetry value (1.633) in Fe- rich phase. The value drops sharply to 1.625 by 16 at.% Ni in solution, although it remains almost … how can i get a search box in google chromeWebJan 1, 2011 · Phase equilibria in Fe-Ni-Nb ternary system at elevated temperatures have been examined, in order to identify the two-phase region of γ-Fe (austenite) and ε … how many people can join an ig liveWebUnit cell of μ phase with W 6 Fe 7 structure projected along c-axis. Topologically close pack ( TCP) phases, also known as Frank-Kasper (FK) phases, are one of the largest groups of intermetallic compounds, known for their complex crystallographic structure and physical properties. Owing to their combination of periodic and aperiodic structure ... how many people can i unfollow on instagramWebNov 8, 2016 · A pressure-induced phase transition of Mg2Sr intermetallics from the low-pressure C14-type phase to an orthorhombic phase (space group Cmcm, Z = 4) at a high pressure of 21.0 GPa was firstly predicted using first-principles calculations combined with unbiased swarm structure searching techniques. The phase transition was identified … how can i get arrest recordsWebThe Fe-rich corner of the Fe-Nb-Zr phase diagram was studied at 1000°C by using synchrotron x-ray powder diffraction (SXPD) technique and quantitative electron probe microanalysis (EPMA). The MgCu2 (C15) and MgZn2 (C14) structures corresponding to Fe2Zr and Fe2Nb Laves phases were observed in the Fe2Zr- Fe2Nb pseudo-binary … how many people can hyde park holdWebFeb 22, 2024 · The ɛ single phase region exists in the range of 27.5 to 35.5 at.% Nb in the Fe-Nb binary system, and it extends toward the equi-niobium concentration direction up to 44 at.% Ni in the ternary system at 1473 K, indicating that more than half of the Fe atoms in Fe 2 Nb can be replaced with Ni. how can i get a safeway club cardWebNov 22, 2024 · For nonstoichiometric Laves phase compounds Hf0.87Ta0.13Fe2+x, the deviation from stoichiometry (Hf0.87Ta0.13Fe2) on the Fe-rich side suppresses the NTE and extends its corresponding temperature range. ... the CTE can be further tuned by introducing an extra α-Fe phase to achieve a low CTE (e.g., 3.3 ppm/K for x = 1.0) with … how can i get a sample ballot