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Materials Data on Nd2Fe14B by Materials Project

Nd2Fe14B crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 1-coordinate geometry to sixteen Fe and one B atom. There are a spread of Nd–Fe bond distances ranging from 3.06–3.38 Å. The Nd–B bond length is 2.91 Å. In the second Nd site, Nd is bonded in a 12-coordinate geometry to sixteen Fe and two equivalent B atoms. There are a spread of Nd–Fe bond distances ranging from 3.04–3.26 Å. Both Nd–B bond lengths are 3.26 Å. There are six inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted single-bond geometry to two Nd, seven Fe, and one B atom. There are a spread of Fe–Fe bond distances ranging from 2.46–2.74 Å. The Fe–B bond length is 2.10 Å. In the second Fe site, Fe is bonded to three Nd and nine Fe atoms to form a mixture of distorted face, edge, and corner-sharing FeNd3Fe9 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.39–2.77 Å. In the third Fe site, Fe is bonded in a 2-coordinate geometry to two Nd and twelve Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.63–2.76 Å. In the fourth Fe site, Fe is bonded in a distorted q6 geometry to two Nd and ten Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.48–2.54 Å. In the fifth Fe site, Fe is bonded in a distorted L-shaped geometry to two equivalent Nd, four Fe, and two equivalent B atoms. Both Fe–B bond lengths are 2.07 Å. In the sixth Fe site, Fe is bonded to four Nd and eight Fe atoms to form a mixture of face and corner-sharing FeNd4Fe8 cuboctahedra. B is bonded in a 6-coordinate geometry to three Nd and six Fe atoms.

36 MATERIALS SCIENCE↗

Materials Data on Nd2Fe14B by Materials Project

Nd2Fe14B is beta Uranium-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 12-coordinate geometry to fourteen Fe atoms. There are a spread of Nd–Fe bond distances ranging from 2.96–3.30 Å. In the second Nd site, Nd is bonded in a 6-coordinate geometry to fourteen Fe and one B atom. There are a spread of Nd–Fe bond distances ranging from 2.67–3.27 Å. The Nd–B bond length is 2.83 Å. There are six inequivalent Fe sites. In the first Fe site, Fe is bonded in a 11-coordinate geometry to two Nd and twelve Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.47–3.12 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two Nd and ten Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.46–2.75 Å. In the third Fe site, Fe is bonded in a 1-coordinate geometry to two Nd, seven Fe, and one B atom. There are one shorter (2.34 Å) and one longer (2.60 Å) Fe–Fe bond lengths. The Fe–B bond length is 2.22 Å. In the fourth Fe site, Fe is bonded to four Nd and eight Fe atoms to form corner-sharing FeNd4Fe8 cuboctahedra. In the fifth Fe site, Fe is bonded in a 7-coordinate geometry to four Nd and five Fe atoms. There are two shorter (2.22 Å) and one longer (2.40 Å) Fe–Fe bond lengths. In the sixth Fe site, Fe is bonded in a 9-coordinate geometry to nine Fe atoms. The Fe–Fe bond length is 2.44 Å. B is bonded in a 6-coordinate geometry to one Nd, four equivalent Fe, and one B atom. The B–B bond length is 1.77 Å.

36 MATERIALS SCIENCE↗

Magnetic properties of Lu and Y doped Ce-Fe-B magnets

The growing demand for Nd2Fe14B magnets is exacerbating the current critical materials shortage. To reduce the amount of critical material in Nd2Fe14B magnets, chemical substitutions have been used and shown to improve the magnetic behavior, such as the Curie Temperature TC, anisotropy field Ha, and saturation magnetization MS.

Bretana, Alex↗

Comparative Life Cycle Assessment of Injection Molded and Big Area Additive Manufactured NdFeB Bonded Permanent Magnets

Permanent magnets are expected to play a crucial role in the realization of the clean economy. In particular, the neodymium-iron-boron (Nd2Fe14B or NdFeB) magnets, which have the highest energy density among rare earth permanent magnets, are needed for building more efficient windmill generators, electric vehicle motors, etc. Currently, near-net shape magnets can be either made through sintering and compression molding with extensive post machining or directly through injection molding. However, injection molding has a loading volume fraction limitation of 0.65 for nylon binders. A novel method of manufacturing bonded permanent magnets with loading fraction greater than 0.65 has been demonstrated using Big Area Additive Manufacturing (BAAM) printers. As energy density is directly proportional to the square of the magnet loading fraction, magnets produced using BAAM printers require less volume and magnetic material compared to that of injection molded magnets on average. A comparative LCA shows that this difference in magnetic powder consumption nearly constitutes the difference in the environmental impact categories. Even after assuming recycled magnetic input, the BAAM magnets perform better environmentally than injection molded magnets, especially in the ozone depletion category. Since BAAM printers can accommodate even higher loading fractions, at scale, BAAM printers possibly can bring about a significant decrease in rare earth mineral consumption and environmental emissions. So furthermore, single screw extrusion enables BAAM printers to have high print speeds and allow them to be economically competitive against injection molding. Therefore, BAAM printed magnets show promise in transitioning towards the clean economy.

36 MATERIALS SCIENCE↗

An Additively Manufactured Fe-3Si Stator for a High-Performance Electrical Motor

Additive manufacturing (AM) has the potential to produce novel high-performance electrical machines, enabling the direct printing of complex shapes and the simultaneous processing of multiple feedstocks in a single build. We examined the properties and functional performance of Fe-3 wt.% Si materials that were printed via selective laser melting, machined down to thin laminates, and stacked to form a stator core of a prototype brushless permanent-magnet electrical motor. Big Area Additive Manufacturing of Nd2Fe14B (NdFeB)–polyphenylene sulfide (PPS) bonded magnets was performed, with them then being magnetized and used for the rotor. The magnetic, mechanical, and electrical properties of the as-printed and various heat-treated thin laminates and the back electromotive force (EMF) of the electrical motors at different rotational speeds were measured. The thin laminates exhibit a maximum relative permeability of 7494 at an applied field of 0.8 Oe and a core loss of about 20 W/lb at 60 Hz with the maximum induction of 15 kg. In addition to the demonstration of AM printing, motor assembly, and complete characterization of printed Fe-3 wt.% Si, this report highlights the areas of improvement needed in printing technologies to achieve AM built electrical motors and the need for isotropic microstructure refinements to make the laminates appropriate for high-mechanical-strength and low-loss rotational electrical devices.

36 MATERIALS SCIENCE↗

Preferential site occupation and magnetic structure of Nd2(Co/x/Fe/1-x/)14B systems

Rietveld analyses of room-temperature neutron diffraction data for seven Nd2(Co/x/Fe/1-x/)14B alloys (x = 0,0.1, 0.3, 0.5, 0.7, 0.9, 1) are reported. Throughout the entire composition range the Nd2Fe14B-type tetragonal crystal structure is maintained, with the lattice constants decreasing significantly as the Co concentration x increases. It is found that the J2-type transition-metal sites are preferentially occupied by Fe ions in the pseudoternary systems, a result which is analogous to the preferential Fe occupation of c sites previously observed in hexagonal Nd2(Co/x/Fe/1-x/)17 alloys.

Herbst, J. F.↗

Magnetic suspension and balance system advanced study, phase 2

The design improvements for the system encompass 14 or 18 external superconductive coils mounted on a 8 x 8 foot wind tunnel, a superconductive model core magnet on a holmium mandrel to fit an F-16 model, model wings of permanent magnet material Nd2Fe14B, and fiber glass epoxy structure. The Magnetic Suspension and Balance System (MSBS) advanced design is confirmed by the successful construction and test of a full size superconductive model core solenoid with holmium mandrel. The solenoid is 75 cm long and 12.6 cm in diameter and produces 6.1 tesla for a hold time of 47 minutes. An integrated coil system design of a new compact configuration without specific coils for roll or pitch shows promise of simplicity; magnet reductions of 30 percent compared to the most recent 1985 design are possible.

Boom, R. W.↗

Segregation of Al and its effect on coercivity in Nd-Fe-B

Doping a small amount of Al can effectively enhance coercivity in Nd-Fe-B magnets. Here we investigated the partitioning behavior of Al and its effect on coercivity in Nd-Fe-B using first principles DFT (density functional theory) calculation and micromagnetic simulation. The calculated substitution energies of Fe by Al are negative at the crystallographic sites of 4c and 8j 2 while they are positive values at the other sites in Nd 2 Fe 14 B (2:14:1), implying a small solubility of Al in 2:14:1. Further, Al prefers to segregate at grain boundary (GB) and stabilize the Nd-Fe-Al phase with a Nd 6 Fe 13 Si-type tetragonal structure (6:13:1). The formation of the antiferromagnetic or weak ferrimagnetic 6:13:1-like phase depletes Fe and reduces the amount of ferromagnetic Nd–Fe type grain boundary phase (GBP), which weakens the inter-grain magnetic interaction. Micromagnetic simulations indicate that the 6:13:1-like GBP increases the pinning field of magnetic domain wall at GB and suppresses the nucleation of reversal magnetic domain on the grain surface of 2:14:1 during demagnetization process. The formation of Al-rich shell on 2:14:1 grain surface can further moderately increase the domain pinning field at GB and the nucleation field of 2:14:1 grain. Developing novel processing method to tailor Al segregation and promote formation of 6:13:1-like phase at GB can be a promising approach to improve coercivity in Nd-Fe-B magnet.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Temperature dependent striction effect in a single crystalline Nd 2 Fe 14 B revealed using a novel high temperature resistivity measurement technique

In this work, we studied the temperature dependence of resistivity in a single crystalline Nd 2 Fe 14 B using a newly developed high temperature probe. This novel probe employs mechanical pin connectors instead of conducting glue/paste. From warming and cooling curves, the Curie temperature was consistently measured around T c = 580 K. In addition, anomalous discrete jumps were found only in cooling curves between 400 and 500 K, but not shown in warming curves. More interestingly, when the jumps occurred during cooling, the resistivity was increased. This phenomenon could possibly be due to a temperature dependent striction effect induced by the re-orientation of magnetic domains well below the Curie temperature. Further microscopic study is needed to confirm this effect.

permanent magnet↗

3D imaging of magnetic domains in Nd 2 Fe 14 B using scanning hard X-ray nanotomography

Nanoscale structural and electronic heterogeneities are prevalent in condensed matter physics. Investigating these heterogeneities in 3D has become an important task for understanding material properties. To provide a tool to unravel the connection between nanoscale heterogeneity and macroscopic emergent properties in magnetic materials, scanning transmission X-ray microscopy (STXM) is combined with X-ray magnetic circular dichroism. A vector tomography algorithm has been developed to reconstruct the full 3D magnetic vector field without any prior noise assumptions or knowledge about the sample. Two tomographic scans around the vertical axis are acquired on single-crystalline Nd 2 Fe 14 B pillars tilted at two different angles, with 2D STXM projections recorded using a focused 120 nm X-ray beam with left and right circular polarization. Image alignment and iterative registration have been implemented based on the 2D STXM projections for the two tilts. Dichroic projections obtained from difference images are used for the tomographic reconstruction to obtain the 3D magnetization distribution at the nanoscale.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Effect of processing hydrogen pressure on magnetic properties of HDDR Nd-Fe-B magnet

High coercivity and anisotropic Nd-Fe-B powders for making anisotropic bonded magnets have been prepared by hydrogenation-disproportionation-desorption-recombination (HDDR). In this work, we found that the processing hydrogen pressure is intimately correlated with the formation of c-axis crystal texture of Nd 2 Fe 14 B phase. There exists a critical hydrogen pressure, P crit , during hydrogen-disproportionation stage, that promotes the formation of c-axis crystal texture. When processing hydrogen pressure is higher than P crit , the formation of c-axis texture deteriorates and results in isotropic Nd-Fe-B magnetic powders. The existence of P crit is ascribed to the thermodynamics and kinetics origin during HDDR process.

36 MATERIALS SCIENCE↗

Site Occupancy Preference and Magnetic Properties in Nd 2 (Fe,Co) 14 B

Partial replacement of Fe by Co is an effective method to increase Curie temperature (T C ) , which improves the thermal stability of magnetic properties in Nd 2 Fe 14 B-based permanent magnets. The correlation between Fe substitution and magnetic properties has been studied in Nd 2 (Fe,Co) 14 B via a first-principles calculation. The calculated Fe substitution energies indicate that the Co atoms avoid the 8 j 2 site, which agrees with the experiments. The Co atoms are ferromagnetically coupled with Fe sublattice and show magnetic moments of about 1.2 to 1.7 μ B at different crystallographic sites, less than that of Fe (2.1–2.7 μ B ), resulting in the decrease in total magnetization at ground state (0 K) with increasing Co content. The effective exchange interaction parameter, derived from the energy difference between varied magnetic structures, increases from 7.8 meV to 17.0 meV with increasing Co content from x = 0 to x = 14 in Nd 2 Fe 14–x Co x B. This change in the effective exchange interaction parameter is responsible for the enhancement of T C in Nd 2 (Fe,Co) 14 B. The total magnetization at 300 K, derived from mean-field theory, shows a peak maximum value at x = 1 in Nd 2 Fe 14–x Co x B. The phenomenon results from the interplay between the reduction of the magnetic moment in the Fe(Co) sublattice and the enhancement of T C with increasing Co content.

36 MATERIALS SCIENCE↗