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 Intercalation (2)
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Articles 1  23 of 23
FullText Articles in Physics
Intercalated RareEarth Metals Under Graphene On Sic, Nathaniel A. Anderson, Myron Hupalo, David Keavney, Michael C. Tringides, David Vaknin
Intercalated RareEarth Metals Under Graphene On Sic, Nathaniel A. Anderson, Myron Hupalo, David Keavney, Michael C. Tringides, David Vaknin
Ames Laboratory Accepted Manuscripts
Intercalation of rare earth metals (RE = Eu, Dy, and Gd) is achieved by depositing the RE metal on graphene that is grown on siliconcarbide (SiC) and by subsequent annealing at high temperatures to promote intercalation. STM images of the films reveal that the graphene layer is defect free and that each of the intercalated metals has a distinct nucleation pattern. Intercalated Eu forms nanoclusters that are situated on the vertices of a Moirè pattern, while Dy and Gd form randomly distributed nanoclusters. Xray magnetic circular dichroism (XMCD) measurements of intercalated films reveal the magnetic properties of these REs nanoclusters ...
Lattice Instability During SolidSolid Structural Transformations Under A General Applied Stress Tensor: Example Of Si I → Si Ii With Metallization, Nikolai A. Zarkevich, Hao Chen, Valery I. Levitas, Duane D. Johnson
Lattice Instability During SolidSolid Structural Transformations Under A General Applied Stress Tensor: Example Of Si I → Si Ii With Metallization, Nikolai A. Zarkevich, Hao Chen, Valery I. Levitas, Duane D. Johnson
Aerospace Engineering Publications
The density functional theory was employed to study the stressstrain behavior and elastic instabilities during the solidsolid phase transformation (PT) when subjected to a general stress tensor, as exemplified for semiconducting Si I and metallic Si II, where metallization precedes the PT, so stressed Si I can be a metal. The hydrostatic PT occurs at 76 GPa, while under uniaxial loading it is 11 GPa (3.7 GPa mean pressure), 21 times lower. The Si I → Si II PT is described by a critical value of the phasefield’s modified transformation work, and the PT criterion has only two parameters ...
Trends In PressureInduced LayerSelective HalfCollapsed Tetragonal Phases In The IronBased Superconductor Family Aeafe(4)As(4), Vladislav Borisov, Paul C. Canfield, Roser Valentí
Trends In PressureInduced LayerSelective HalfCollapsed Tetragonal Phases In The IronBased Superconductor Family Aeafe(4)As(4), Vladislav Borisov, Paul C. Canfield, Roser Valentí
Ames Laboratory Accepted Manuscripts
By performing pressure simulations within density functional theory for the family of ironbased superconductors AeAFe4As4 with Ae=Ca, Sr, Ba and A=K, Rb, Cs we predict in these systems the appearance of two consecutive halfcollapsed tetragonal transitions at pressures Pc1 and Pc2, which have a different character in terms of their effect on the electronic structure. We find that, similar to previous studies for CaKFe4As4, spinvortex magnetic fluctuations on the Fe sublattice play a key role for an accurate structure prediction in these materials at zero pressure. We identify clear trends of critical pressures and discuss the relevance of ...
Emergent Magnetic Degeneracy In Iron Pnictides Due To The Interplay Between SpinOrbit Coupling And Quantum Fluctuations, Morten H. Christensen, Peter P. Orth, Brian M. Andersen, Rafael M. Fernandes
Emergent Magnetic Degeneracy In Iron Pnictides Due To The Interplay Between SpinOrbit Coupling And Quantum Fluctuations, Morten H. Christensen, Peter P. Orth, Brian M. Andersen, Rafael M. Fernandes
Physics and Astronomy Publications
Recent experiments in iron pnictide superconductors reveal that, as the putative magnetic quantum critical point is approached, different types of magnetic order coexist over a narrow region of the phase diagram. Although these magnetic configurations share the same wave vectors, they break distinct symmetries of the lattice. Importantly, the highest superconducting transition temperature takes place close to this proliferation of neardegenerate magnetic states. In this Letter, we employ a renormalization group calculation to show that such a behavior naturally arises due to the effects of spinorbit coupling on the quantum magnetic fluctuations. Formally, the enhanced magnetic degeneracy near the quantum ...
Effective Demagnetizing Factors Of Diamagnetic Samples Of Various Shapes, Ruslan Prozorov, Vladimir G. Kogan
Effective Demagnetizing Factors Of Diamagnetic Samples Of Various Shapes, Ruslan Prozorov, Vladimir G. Kogan
Ames Laboratory Accepted Manuscripts
Effective demagnetizing factors that connect the sample magnetic moment with the applied magnetic field are calculated numerically for perfectly diamagnetic samples of various nonellipsoidal shapes. The procedure is based on calculating the total magnetic moment by integrating the magnetic induction obtained from a full threedimensional (3D) solution of the Maxwell equations using an adaptive mesh. The results are relevant for superconductors (and conductors in ac fields) when the London penetration depth (or the skin depth) is much smaller than the sample size. Simple but reasonably accurate approximate formulas are given for practical shapes including rectangular cuboids, finite cylinders in axial ...
Persistent Correlation Between Superconductivity And Antiferromagnetic Fluctuations Near A Nematic Quantum Critical Point In Fese1−Xsx, P. Wiecki, Khusboo Rana, A. E. Böhmer, Y. Lee, Sergey L. Bud’Ko, Paul C. Canfield, Yuji Furukawa
Persistent Correlation Between Superconductivity And Antiferromagnetic Fluctuations Near A Nematic Quantum Critical Point In Fese1−Xsx, P. Wiecki, Khusboo Rana, A. E. Böhmer, Y. Lee, Sergey L. Bud’Ko, Paul C. Canfield, Yuji Furukawa
Ames Laboratory Accepted Manuscripts
We present 77SeNMR measurements on FeSe1−xSx samples with sulfur content x=0%, 9%, 15%, and 29%. Twinned nematic domains are observed in the NMR spectrum for all samples except x=29%. The NMR spinlattice relaxation rate shows that antiferromagnetic (AFM) fluctuations are initially enhanced between x=0% and x=9%, but are strongly suppressed for higher x values. The observed behavior of the AFM fluctuations parallels the superconducting transition temperature Tc in these materials, providing strong evidence for the primary importance of AFM fluctuations for superconductivity, despite the presence of nematic quantum criticality in the FeSe1−xSx system.
Current Progress And Future Challenges In RareEarthFree Permanent Magnets, Jun Cui, Matthew J. Kramer, Lin Zhou, Fei Liu, Alexander Gabay, George Hadjipanayis, Balamurugan Balasubramanian, David Sellmyer
Current Progress And Future Challenges In RareEarthFree Permanent Magnets, Jun Cui, Matthew J. Kramer, Lin Zhou, Fei Liu, Alexander Gabay, George Hadjipanayis, Balamurugan Balasubramanian, David Sellmyer
Ames Laboratory Accepted Manuscripts
Permanent magnets (PM) are critical components for electric motors and power generators. Key properties of permanent magnets, especially coercivity and remanent magnetization, are strongly dependent on microstructure. Understanding metallurgical processing, phase stability and microstructural changes are essential for designing and improving permanent magnets. The widely used PM for the traction motor in electric vehicles and for the power generator in wind turbines contain rare earth elements Nd and Dy due to their high maximum energy product. Dy is used to sustain NdFeB's coercivity at higher temperature. Due to the high supply risk of rare earth elements (REE) such as ...
Magnetic Phase Diagram Of The Iron Pnictides In The Presence Of SpinOrbit Coupling: Frustration Between C2 And C4 Magnetic Phases, Morten H. Christensen, Peter P. Orth, Brian M. Andersen, Rafael M. Fernandes
Magnetic Phase Diagram Of The Iron Pnictides In The Presence Of SpinOrbit Coupling: Frustration Between C2 And C4 Magnetic Phases, Morten H. Christensen, Peter P. Orth, Brian M. Andersen, Rafael M. Fernandes
Physics and Astronomy Publications
We investigate the impact of spin anisotropic interactions, promoted by spinorbit coupling, on the magnetic phase diagram of the ironbased superconductors. Three distinct magnetic phases with Bragg peaks at (π,0) and (0,π) are possible in these systems: one C2 (i.e. orthorhombic) symmetric stripe magnetic phase and two C4 (i.e. tetragonal) symmetric magnetic phases. While the spin anisotropic interactions allow the magnetic moments to point in any direction in the C2 phase, they restrict the possible moment orientations in the C4 phases. As a result, an interesting scenario arises in which the spin anisotropic interactions favor a ...
Influence Of The Starting Temperature Of Calorimetric Measurements On The Accuracy Of Determined Magnetocaloric Effect, L. M. MorenoRamírez, V. Franco, A. Conde, H. Neves Bez, Yaroslav Mudryk, Vitalij K. Pecharsky
Influence Of The Starting Temperature Of Calorimetric Measurements On The Accuracy Of Determined Magnetocaloric Effect, L. M. MorenoRamírez, V. Franco, A. Conde, H. Neves Bez, Yaroslav Mudryk, Vitalij K. Pecharsky
Ames Laboratory Accepted Manuscripts
Availability of a restricted heat capacity data range has a clear influence on the accuracy of calculated magnetocaloric effect, as confirmed by both numerical simulations and experimental measurements. Simulations using the BeanRodbell model show that, in general, the approximated magnetocaloric effect curves calculated using a linear extrapolation of the data starting from a selected temperature point down to zero kelvin deviate in a nonmonotonic way from those correctly calculated by fully integrating the data from near zero temperatures. However, we discovered that a particular temperature range exists where the approximated magnetocaloric calculation provides the same result as the fully integrated ...
A SelfContained Algorithm For Determination Of SolidLiquid Equilibria In An Alloy System, L. Yang, Y. Sun, Z. Ye, F. Zhang, M. I. Mendelev, CaiZhuang Wang, KaiMing Ho
A SelfContained Algorithm For Determination Of SolidLiquid Equilibria In An Alloy System, L. Yang, Y. Sun, Z. Ye, F. Zhang, M. I. Mendelev, CaiZhuang Wang, KaiMing Ho
Ames Laboratory Accepted Manuscripts
We describe a selfcontained procedure to evaluate the free energy of liquid and solid phases of an alloy system. The free energy of a singleelement solid phase is calculated with thermodynamic integration using the Einstein crystal as the reference system. Then, free energy difference between the solid and liquid phases is calculated by GibbsDuhem integration. The central part of our method is the construction of a reversible alchemical path connecting a pure liquid and a liquid alloy to calculate the mixing enthalpy and entropy. We have applied the method to calculate the free energy of solid and liquid phases in ...
TwoDimensional Crystallization Of Poly(NIsopropylacrylamide)Capped Gold Nanoparticles, Wenjie Wang, Jack J. Lawrence, Wei Bu, Honghu Zhang, David Vaknin
TwoDimensional Crystallization Of Poly(NIsopropylacrylamide)Capped Gold Nanoparticles, Wenjie Wang, Jack J. Lawrence, Wei Bu, Honghu Zhang, David Vaknin
Ames Laboratory Accepted Manuscripts
Surfacesensitive Xray reflectivity and grazing incidence smallangle Xray scattering reveal the structure of polymercappedgold nanoparticles (AuNPs that are grafted with poly(Nisopropylacrylamide); PNIPAM–AuNPs) as they selfassemble and crystallize at the aqueous suspension/vapor interface. Citratestabilized AuNPs (5 and 10 nm in nominal diameter) are ligandexchanged by 6 kDa PNIPAMthiol to form corona brushes around the AuNPs that are highly stable and dispersed in aqueous suspensions. Surprisingly, no clear evidence of thermosensitive effect on surface enrichment or selfassembly of the PNIPAM–AuNPs is observed in the 10–35 °C temperature range. However, addition of simple salts (in this case ...
FirstPrinciples Study Of Electronic Structure And Fermi Surface In Semimetallic Yas, Przemyslaw Swatek
FirstPrinciples Study Of Electronic Structure And Fermi Surface In Semimetallic Yas, Przemyslaw Swatek
Ames Laboratory Accepted Manuscripts
In the course of searching for new systems, which exhibit nonsaturating and extremely large positive magnetoresistance, electronic structure, Fermi surface, and de Haasvan Alphen characteristics of the semimetallic YAs compound were studied using the allelectron fullpotential linearized augmentedplane wave (FPLAPW) approach in the framework of the generalized gradient approximation (GGA). In the scalarrelativistic calculation, the cubic symmetry splits fivefold degenerate Yd orbital into lowenergy threefolddegenerate t(2g) and twofold degenerate doublet e(1g) states at Gamma point around the Fermi energy. One of them, together with the threefold degenerate t(1u) character of Asp orbital, render the YAs semimetal with ...
Anisotropic Magnetocaloric Response In Alfe2b2, R. Barua, B. T. Lejeune, Liqin Ke, G. Hadjipanayis, Eugene M. Levin, Mccallum Consulting Llc, Matthew J. Kramer, L. H. Lewis
Anisotropic Magnetocaloric Response In Alfe2b2, R. Barua, B. T. Lejeune, Liqin Ke, G. Hadjipanayis, Eugene M. Levin, Mccallum Consulting Llc, Matthew J. Kramer, L. H. Lewis
Ames Laboratory Accepted Manuscripts
Experimental investigations of the magnetocaloric response of the intermetallic layered AlFe2B2 compound along the principle axes of the orthorhombic cell were carried out using aligned platelike crystallites with an anisotropic [101] growth habit. Results were confirmed to be consistent with density functional theory calculations. Fielddependent magnetization data confirm that the aaxis is the easy direction of magnetization within the (ac) plane. The magnetocrystalline anisotropy energy required to rotate the spin quantization vector from the cto the aaxis direction is determined as K∼0.9 MJ/m3 at 50 K. Magnetic entropy change curves measured near the Curie transition temperature of ...
Nmr Studies Of The Helical Antiferromagnetic Compound Euco2p2, N. Higa, QingPing Ding, F. Kubota, H. Uehara, M. Yogi, Yuji Furukawa, N. S. Sangeetha, David C. Johnston, A. Nakamura, M. Hedo, T. Nakama, Y. Onuki
Nmr Studies Of The Helical Antiferromagnetic Compound Euco2p2, N. Higa, QingPing Ding, F. Kubota, H. Uehara, M. Yogi, Yuji Furukawa, N. S. Sangeetha, David C. Johnston, A. Nakamura, M. Hedo, T. Nakama, Y. Onuki
Ames Laboratory Accepted Manuscripts
In EuCo2P2, 4f electron spins of Eu2+ ions order antiferromagnetically below a Néel temperature . The magnetic structure below was reported to be helical with the helix axis along the caxis from the neutron diffraction study. We report the results of 153Eu, 59Co and 31P nuclear magnetic resonance (NMR) measurements on EuCo2P2 using a single crystal and a powdered sample. In the antiferromagnetic (AFM) state, we succeeded in observing 153Eu, 59Co and 31P NMR spectra in zero magnetic field. The sharp 153Eu zero field NMR (ZF NMR) lines indicate homogeneous Eu ordered moment. The 59Co and 31P ZF NMR spectra showed ...
Enhanced Moments Of Eu In Single Crystals Of The Metallic Helical Antiferromagnet Euco2Yas2, N. S. Sangeetha, V. K. Anand, Eduardo CuervoReyes, V. Smetana, A.V. Mudring, David C. Johnston
Enhanced Moments Of Eu In Single Crystals Of The Metallic Helical Antiferromagnet Euco2Yas2, N. S. Sangeetha, V. K. Anand, Eduardo CuervoReyes, V. Smetana, A.V. Mudring, David C. Johnston
Ames Laboratory Accepted Manuscripts
The compound EuCo2yAs2 with the tetragonal ThCr2Si2 structure is known to contain Eu+2 ions with spin S = 7/2 that order below a temperature TN approximate to 47 K into an antiferromagnetic (AFM) proper helical structure with the ordered moments aligned in the tetragonal ab plane, perpendicular to the helix axis along the c axis, with no contribution from the Co atoms. Here we carry out a detailed investigation of the properties of single crystals. We consistently find about 5% vacancies on the Co site from energydispersive xray analysis and xray diffraction refinements. Enhanced ordered and effective moments of ...
Nanostructural Origin Of Semiconductivity And Large Magnetoresistance In Epitaxial Nico_{2}O_{4}/Al_{2}O_{3} Thin Films, Congmian Zhen, Xiaozhe Zhang, Wengang Wei, Wenzhe Guo, Ankit Pant, Xiaoshan Xu, Jian Shen, Li Ma, Denglu Hou
Nanostructural Origin Of Semiconductivity And Large Magnetoresistance In Epitaxial Nico2O4/Al2O3 Thin Films, Congmian Zhen, Xiaozhe Zhang, Wengang Wei, Wenzhe Guo, Ankit Pant, Xiaoshan Xu, Jian Shen, Li Ma, Denglu Hou
Xiaoshan Xu Papers
Despite low resistivity (~1 mΩ cm), metallic electrical transport has not been commonly observed in inverse spinel NiCo_{2}O_{4}, except in certain epitaxial thin films. Previous studies have stressed the effect of valence mixing and the degree of spinel inversion on the electrical conduction of NiCo_{2}O_{4 }films. In this work, we studied the effect of nanostructural disorder by comparing the NiCo_{2}O_{4 }epitaxial films grown on MgAl_{2}O_{4 }(1 1 1) and on Al_{2}O_{3 }(0 0 1) substrates. Although the optimal growth conditions are similar for the NiCo ...
Interplay Of Conventional With Inverse Electrocaloric Response In (Pb,Nb) (Zr,Sn,Ti)O3 Antiferroelectric Materials, Nikola Novak, Florian Weyland, Satyanarayan Patel, Hanzheng Guo, Xiaoli Tan, Jürgen Rödel, Jurij Koruza
Interplay Of Conventional With Inverse Electrocaloric Response In (Pb,Nb) (Zr,Sn,Ti)O3 Antiferroelectric Materials, Nikola Novak, Florian Weyland, Satyanarayan Patel, Hanzheng Guo, Xiaoli Tan, Jürgen Rödel, Jurij Koruza
Materials Science and Engineering Publications
The electrocaloric effect in ferroics is considered a powerful solidstate cooling technology. Its potential is enhanced by correlation to the inverse electrocaloric effect and leads into mechanisms of decreasing or increasing dipolar entropy under applied electric field. Nevertheless, the mechanism underlying the increase of the dipolar entropy with applied electric field remains unclear and controversial. This study investigates the electrocaloric response of the antiferroelectric Pb0.99Nb0.02[(Zr0.58Sn0.43)0.92 Ti0.08]0.98O3 in which the critical electric field is low enough to induce the ferroelectric phase over a broad temperature range. Utilizing temperature and electricfielddependent dielectric ...
DefectMediated, ThermallyActivated Encapsulation Of Metals At The Surface Of Graphite, Yinghui Zhou, Ann LiiRosales, Minsung Kim, Mark Wallingford, Dapeng Jing, Michael C. Tringides, CaiZhuang Wang, Patricia A. Thiel
DefectMediated, ThermallyActivated Encapsulation Of Metals At The Surface Of Graphite, Yinghui Zhou, Ann LiiRosales, Minsung Kim, Mark Wallingford, Dapeng Jing, Michael C. Tringides, CaiZhuang Wang, Patricia A. Thiel
Chemistry Publications
We show that 3 metals – Dy, Ru, and Cu – can form multilayer intercalated (encapsulated) islands at the graphite (0001) surface if 2 specific conditions are met: Defects are introduced on the graphite terraces to act as entry portals, and the metal deposition temperature is well above ambient. Focusing on Dy as a prototype, we show that surface encapsulation is much different than bulk intercalation, because the encapsulated metal takes the form of bulklike rafts of multilayer Dy, rather than the dilute, singlelayer structure known for the bulk compound. Carboncovered metallic rafts even form for relatively unreactive metals (Ru and Cu ...
Quantum Tricritical Point In The TemperaturePressureMagnetic Field Phase Diagram Of Cetige3, Udhara S. Kaluarachchi, Valentin Taufor, Sergey Bud’Ko, Paul C. Canfield
Quantum Tricritical Point In The TemperaturePressureMagnetic Field Phase Diagram Of Cetige3, Udhara S. Kaluarachchi, Valentin Taufor, Sergey Bud’Ko, Paul C. Canfield
Ames Laboratory Accepted Manuscripts
We report the temperaturepressuremagneticfield phase diagram of the ferromagnetic Kondolattice CeTiGe 3 determined by means of electrical resistivity measurements. Measurements up to ∼ 5.8 GPa reveal a rich phase diagram with multiple phase transitions. At ambient pressure, CeTiGe 3 orders ferromagnetically at T C = 14 K. Application of pressure suppresses T C , but a pressureinduced ferromagnetic quantum criticality is avoided by the appearance of two new successive transitions for p > 4.1 GPa that are probably antiferromagnetic in nature. These two transitions are suppressed under pressure, with the lowertemperature phase being fully suppressed above 5.3 GPa. The critical pressures ...
Nodeless Superconductivity In TypeIi Dirac Semimetal Pdte2: LowTemperature London Penetration Depth And Symmetry Analysis, Seram Teknowijoyo, Na Hyun Jo, Mathias S. Scheurer, Makariy A. Tanatar, Kyuil Cho, Sergey L. Bud’Ko, Peter Orth, Paul C. Canfield, Ruslan Prozorov
Nodeless Superconductivity In TypeIi Dirac Semimetal Pdte2: LowTemperature London Penetration Depth And Symmetry Analysis, Seram Teknowijoyo, Na Hyun Jo, Mathias S. Scheurer, Makariy A. Tanatar, Kyuil Cho, Sergey L. Bud’Ko, Peter Orth, Paul C. Canfield, Ruslan Prozorov
Physics and Astronomy Publications
Superconducting gap structure was probed in typeII Dirac semimetal PdTe2 by measuring the London penetration depth using tunnel diode resonator technique. At low temperatures, the data for two samples are well described by weak coupling exponential fit yielding λ(T=0)=230~nm as the only fit parameter at a fixed Δ(0)/Tc≈1.76, and the calculated superfluid density is consistent with a fully gapped superconducting state characterized by a single gap scale. Electrical resistivity measurements for inplane and interplane current directions find very low and nearly temperatureindependent normal state anisotropy. The temperature dependence of resistivity is typical ...
Magnetic Properties Of Single Crystalline Itinerant Ferromagnet Alfe2b2, Tey Lamichhane, Li Xiang, Qisheng Lin, Tribhuwan Pandey, David S. Parker, TaeHoon Kim, Lin Zhou, Matthew J. Kramer, Sergey L. Bud’Ko, Paul C. Canfield
Magnetic Properties Of Single Crystalline Itinerant Ferromagnet Alfe2b2, Tey Lamichhane, Li Xiang, Qisheng Lin, Tribhuwan Pandey, David S. Parker, TaeHoon Kim, Lin Zhou, Matthew J. Kramer, Sergey L. Bud’Ko, Paul C. Canfield
Ames Laboratory Publications
No abstract provided.
Phase Transitions And Their Interaction With Dislocations In Silicon, Valery I. Levitas, Hao Chen, Liming Xiong
Phase Transitions And Their Interaction With Dislocations In Silicon, Valery I. Levitas, Hao Chen, Liming Xiong
Aerospace Engineering Publications
In this paper, phase transformations (PTs) in silicon were investigated through molecular dynamics (MD) using Tersoff potential. In the first step, simulations of PTs in single crystal silicon under various stresscontrolled loading were carried out. Results shows that all instability points under various stress states are described by criteria, which are linear in the space of normal stresses. There is a region in the stress space in which conditions for direct and reverse PTs coincide and a unique homogeneous phase transition (without nucleation) can be realized. Finally, phase transition in bicrystalline silicon with a dislocation pileup along the grain boundary ...
Novel Mechanisms For SolidState Processing And Grain Growth With Microstructure Alignment In Alnico8 Based Permanent Magnets, Aaron G. Kassen, Emma M. H. White, Liangfa Hu, Wei Tang, Lin Zhou, Matthew J. Kramer, Iver E. Anderson
Novel Mechanisms For SolidState Processing And Grain Growth With Microstructure Alignment In Alnico8 Based Permanent Magnets, Aaron G. Kassen, Emma M. H. White, Liangfa Hu, Wei Tang, Lin Zhou, Matthew J. Kramer, Iver E. Anderson
Ames Laboratory Accepted Manuscripts
An estimated 750,000 new hybrid electric and plugin battery vehicles, most with permanent magnet synchronous alternating current (PMAC) drive motors, took to the road in 2016 alone. Accompanied by 40% year over year growth in the EV market significant challenges exist in producing large quantities of permanent magnets (on the order of tens of millions) for reliable, lowcost traction motors [IE Agency, Energy Technology Perspectives (2017)]. Since the rare earth permanent magnet (REPM) market is essentially 100% net import reliant in the United States and has proven to have an unstable cost and supply structure in recent years, a ...