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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Unlocking Dysprosium Constraints for China’s 1.5 °C Climate Target

Some key low-carbon technologies, ranging from wind turbines to electric vehicles, are underpinned by the strong rare-earth-based permanent magnets of the Nd, Pr (Dy)–Fe–Nb type (NdFeB). These NdFeB magnets, which are sensitive to demagnetization with temperature elevation (the Curie point), require the addition of variable amounts of dysprosium (Dy), where an elevation of the Curie point is needed to meet operational conditions. Given that China is the world’s largest REE supplier with abundant REE reserves, the impact of an ambitious 1.5 °C climate target on China’s Dy supply chain has sparked widespread concern. Here, we explore future trends and innovation strategies associated with the linkage between Dy and NdFeBs under various climate scenarios in China. We find China alone is expected to exhaust the global present Dy reserve within the next 2–3 decades to facilitate the 1.5 °C climate target. By implementing global available innovation strategies, such as material substitution, reduction, and recycling, it is possible to avoid 48%–68% of China’s cumulative demand for Dy. Nevertheless, ongoing efforts in REE exploration and production are still required to meet China’s growing Dy demand, which will face competition from the United States, European Union, and other countries with ambitious climate targets. Here our analysis urges China and those nations to form wider cooperation in REE supply chains as well as in NdFeB innovation for the realization of a global climate-safe future.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Probing phonon softening in ferroelectrics by scanning probe microwave spectroscopy

Microwave measurements have recently been successfully applied to measure ferroelectric materials on the nanoscale, including detection of polarization switching and ferroelectric domain walls. In this study we discuss the question of whether scanning probe microscopy operating at microwave frequency can identify the changes associated with the soft phonon dynamics in a ferroic. The analytical expressions for the electric potential, complex impedance, and dielectric losses are derived and analyzed, since these physical quantities are linked to experimentally measurable properties of the ferroic. As a ferroic we consider virtual or proper ferroelectric with an optic phonon mode that softens at a Curie point. We also consider a decay mechanism linked to the conductance of the ferroic, thus manifesting itself as the dielectric loss in the material. Our key finding is that the influence of the soft phonon dispersion on the surface potential distribution, complex impedance, and dielectric losses are evidently strong in the vicinity (~10–30 K) of the Curie temperature. Additionally, we quantified how the spatial distribution and frequency spectra of the complex impedance and the dielectric losses react on the dynamics of the soft phonons near the Curie point. These results set the stage for characterization of polar phase transitions with nanoscale microwave measurements, providing a complementary approach to well established electromechanical measurements for fundamental understanding of ferroelectric properties as well as their applications in telecommunication and computing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Effect of the Degree of Overcooling on Relaxation of the Domain Structure of Triglycine Sulphate

The formation and evolution of the domain structure in the vicinity of the Curie point is studied in triglycine sulfate crystals subjected to fast cooling T{sub C}. We derive an analytical expression for time dependence of the mean characteristic domain size. This expression enable us to investigate the process of enlargement of domain structure through all stages of its relaxation into a state of thermodynamic equilibrium. The model predicts a root-square behavior of the mean domain size, which agrees well with available experimental data. The rate of enlargement of the domain structure is shown to depend on the degree of overcooling. The time dependence of the mean domain size obtained in this study enables us to determine the radius of intermolecular interactions in the crystals under study.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Critical-Element-Free Permanent-Magnet Materials Based on Ce 2 Fe 14 B

Developing a critical-element-free low-cost permanent magnet is an urgent necessity in view of rapidly developing technologies and the associated huge market demand for Nd 2 Fe 14 B-based magnets. Here, inspired by the abundant and low-cost nature of Ce and these high-performance Nd 2 Fe 14 B permanent magnets, we explore whether it is in fact possible to attain a useful performance in alloys based on the sister material Ce 2 Fe 14 B, employing both experimental and theoretical efforts. Experimentally, we study Ce 2 Fe 14 B with Co, La, and Zr substitutions. The Zr substitution is explored in view of Zr’s frequent role in enhancing magnetic anisotropy in permanent magnets, while the Co and La substitutions serve to remedy the too-low Curie point of 433 K in the base alloy. While we find no Zr-related anisotropy enhancement either experimentally or theoretically, the cosubstitution of La and Co indeed improves the Curie temperature as well as the magnetization, M s , with a potential energy product as high as 38 MG Oe. These properties together suggest optimization of the alloy LaCeFe 12.7 Co 1.3 B (with only 7 wt % cobalt) as a critical-element-free permanent magnet. While the substituted elements do not enhance magnetic anisotropy, from theory, we find a substantial increase, to a first anisotropy constant, K1, as high as 4.24 MJ/m 3 , associated with Bi substitution for Ce. In this paper, our experimental and theoretical results demonstrate the great potential of La, Co, and Bi substitutions in developing low-cost and critical-element-free Ce 2 Fe 14 B-based permanent magnets.

36 MATERIALS SCIENCE↗
DOE OSTI2021

String Phase in an Artificial Spin Ice

Abstract One-dimensional strings of local excitations are a fascinating feature of the physical behavior of strongly correlated topological quantum matter. Here we study strings of local excitations in a classical system of interacting nanomagnets, the Santa Fe Ice geometry of artificial spin ice. We measured the moment configuration of the nanomagnets, both after annealing near the ferromagnetic Curie point and in a thermally dynamic state. While the Santa Fe Ice lattice structure is complex, we demonstrate that its disordered magnetic state is naturally described within a framework of emergent strings. We show experimentally that the string length follows a simple Boltzmann distribution with an energy scale that is associated with the system’s magnetic interactions and is consistent with theoretical predictions. The results demonstrate that string descriptions and associated topological characteristics are not unique to quantum models but can also provide a simplifying description of complex classical systems with non-trivial frustration.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Semihard Iron-Based Permanent-Magnet Materials

Permanent magnets generally require a favorable, but difficult-to-achieve combination of high magnetization, Curie point, and magnetic anisotropy. Thus there have been few, if any, viable permanent magnets developed since the 1982 discovery of Nd 2 Fe 14 B. In this work we point out, both by direct first-principles calculations on the iron carbides and silicides Fe 5 C 2 , Fe 5 SiC, and Fe 7 C 3 as well as a discussion of recent experimental findings, that there are numerous rare-earth-free iron-rich potential permanent-magnet materials with sufficient intrinsic magnetic properties to reasonably achieve room-temperature energy products of 20–25 MG Oe. This is substantially better than the performance of the best available rare-earth-free magnets based on ferrite, as well as shape-anisotropy-employing alnico. These magnets could plausibly fill, at low cost, the present performance “gap” between the best rare-earth-free magnets and rare-earth magnets such as Nd 2 Fe 14 B and Sm-Co.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Magnetic domain dynamics in an insulating quantum ferromagnet

The statistics and form of avalanches in a driven system reveal the nature of the underlying energy landscape and dynamics. In conventional metallic ferromagnets, eddy-current back action can dominate the dynamics. Here, we study Barkhausen noise in Li(Ho,Y)F 4 , an insulating Ising ferromagnet that cannot sustain eddy currents. In addition, for large avalanches at temperatures approaching the Curie point, we find a symmetric response free of drag effects. In the low-temperature limit, drag effects contribute to the dynamics, which we link to enhanced pinning from local random fields that are enabled by the microscopic dipole-coupled Hamiltonian (the Ising model in transverse field).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Competing magnetic and nonmagnetic states in monolayer VSe 2 with charge density wave

The field of two-dimensional ferromagnets has been reinvigorated by the discovery of VSe 2 monolayer grown on van der Waals substrates, which is reported to be ferromagnetic with a Curie point higher than 330 K. However, the ferromagnetic and nonmagnetic states of pristine monolayer VSe 2 are highly debated. Here, employing density functional theory, Wannier function calculations, and the band unfolding method, we explore the electronic structure of monolayer VSe 2 with a $\sqrt{3} × \sqrt{7}$ charge density wave (CDW). Certain qualitative aspects of the calculated unfolded band dispersion and unfolded Fermi surface of monolayer VSe 2 with the $\sqrt{3} × \sqrt{7}$ CDW in the nonmagnetic state agree well with previous angle-resolved photoemission spectroscopy results, albeit with uncertainty about whether these experiments probed single or multiple domains. Specifically, we find that an isolated CDW domain naturally induces a strong breaking of the threefold symmetry of the electronic structure. In addition we find that, relative to the undistorted structure, the CDW structure shows a strong competition between nonmagnetic and various magnetic states, with an energy difference less than 5 meV/f.u. For the CDW structure in the antiferromagnetic state, the band dispersions and Fermi surface are similar to those in the nonmagnetic state, while the unfolded bands of the ferromagnetic CDW state display a sizable exchange splitting. These results indicate the possibility of various antiferromagnetic fluctuations in VSe 2 to coexist and compete with ferromagnetic order and the experimentally reported CDW order. In this work, our calculations build insights for exploring the interplay between magnetism and CDW behaviors more generally in transition metal dichalcogenides.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Magnetic Properties of Ru-Doped Nd{sub 0.67}Sr{sub 0.33}Mn{sub 1−x}Ru{sub x}O{sub 3} (0 ≤ x ≤ 0.10) Manganites

The structural and magnetic properties of polycrystalline Nd{sub 0.67}Sr{sub 0.33}Mn{sub 1−x}Ru{sub x}O{sub 3} (x = 0.00 and 0.10) samples have been studied with the substitution of Ru at Mn site. The samples have orthorhombic crystal structure determined by room-temperature X-ray diffraction and Rietvield analysis. On Ru doping at Mn site, a change in its symmetry space group is observed. The increase in Ru content significantly affects the Curie temperature (T{sub c}). The double-exchange mechanism is suppressed with Ru doping affecting the Mn{sup 3+}–O{sup 2−}–Mn{sup 4+} ion network. Paramagnetic regime of samples in magnetization-temperature graph is fitted and analyzed with Curie-Weiss law. The magnetization versus applied magnetic field measurements show that the samples exhibit ferromagnetic behavior at lower temperatures and paramagnetic behavior at room temperature with negligible hysteresis loop and low coercive field.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Magnetic and Magnetotransport Characteristics of Cr-Substituted Ni{sub 55}Mn{sub 34}Sn{sub 11} Thin Films Grown by Magnetron Sputtering

Highly oriented Cr-substituted Ni{sub 55}Mn{sub 34}Sn{sub 11} Heusler thin films having thickness ~ 400 nm were deposited by Ultrahigh vacuum dc magnetron sputtering on MgO (100) substrates. At room temperature, the films exhibit a mixture of dominant L2{sub 1} cubic austenite phase, as revealed by the intense (002) and (004) peaks, along with small fraction of the orthorhombic–martensitic phase. Surface morphology of the thin films showed distribution of Cr-rich and Cr-deficit regions together with patterned and aligned magnetic domains, thus bringing out the inherent room temperature ferromagnetism of the film. At temperatures above the Curie temperature, T{sub C} ~ 321 K, the magnetic behaviour of the films is seen to follow the Curie law rather than the Curie–Weiss law. Ferromagnetic to antiferromagnetic transition appears at T{sub N} ~ 247 K, which gives rise to exchange bias at low temperatures due to the coexistence of the two magnetic orders. This phase coexistence also leads to the formation of a spin glass state deep into the martensitic region. The film exhibits metal-like nature at high temperature and semiconductor-like behaviour with the lowering of temperature. A reentrant metallic state is observed at T ≤ 38 K during cooling that persists up to ≤ 62 K in warming cycle. The hysteresis in the ρ–T curve spread over a very wide temperature range confirms the magnetic phase coexistence in the martensitic state in the present thin films. The magnetoresistance (MR) first increases (2.4% at 300 K and H = 50 kOe) with temperature and maximizes to around ~ 3.25% at T = 150 K and then starts decreasing. Its value in the glassy state is very small. This shows that a magnetic liquid like state is more conducive to larger MR.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Effect of Fe Doping and Point Defects (V{sub O} and V{sub Sn}) on the Magnetic Properties of SnO{sub 2}

We investigated the effects of Fe doping and point defects (oxygen and tin vacancies, V{sub O} and V{sub Sn}, respectively) on the ferromagnetism of SnO{sub 2} through first-principles calculations by using generalized gradient approximation + U under density functional theory. Calculation results show that Fe-doped SnO{sub 2} with V{sub O} or V{sub Sn} exhibit long-range ordered ferromagnetism and Curie temperature above room temperature. The system has different magnetic properties with different doping modes, which are beneficial to the magnetic adjustment of dilute magnetic semiconductor (DMS). The double-exchange effects among the electrons of O–2p and Fe–3d states are the origin of ferromagnetism in Sn{sub 15}FeO{sub 31}. Similarly, ferromagnetism in Sn{sub 14}FeO{sub 32} is derived from the double-exchange effects among the electrons of O–2p and Fe–3d states. These effects are produced by hole carriers after complexes form by Fe doping and V{sub O} or V{sub Sn}. Simultaneously, Sn{sub 14}FeO{sub 32} shows a half-metallic behavior, thus resulting in 100% conduction hole polarizability, which is highly beneficial to DMSs as a hole-injection source. Moreover, results also show that the decreased distance between Fe and vacancies (V{sub O} or V{sub Sn}) lowers formation energy and thus increases the system stability.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Effect of Fe Doping and O Vacancies on the Magnetic Properties of Rutile TiO{sub 2}

Magnetism sources of Fe doping and O vacancies, which coexist in the presence of rutile TiO{sub 2}, are controversial and require a resolution. The effects of Fe doping and point defect on the magnetism of rutile TiO{sub 2} were studied using geometry optimization and energy calculation based on the first principle generalized gradient approximation + U method (GGA+U) of density functional theory. Fe/Vo ratio is 1:1 in rutile TiO{sub 2}. The next closest distance between Fe and Vo is 0.04082 nm. The formation energy of the doping system is the smallest. This doping system has the highest stability. The coexistence of Fe doping and O vacancy achieved ferromagnetic long-range order. The different ratios of Fe/Vo are 1:1, 1:2, 2:1, and 2:2. The magnetic properties of the doping system are significantly different. At a ratio of 2:1, the magnetic moment is the largest among all doping systems. Moreover, the Curie temperature of the doping system can be higher than room temperature. These findings can obtain dilute magnetic semiconductors with potential application value. At a Fe/V{sub O} ratio of 2:2, the Ti{sub 14}Fe{sub 2}O{sub 30} system produces a half-metallic property of 100% electron spin polarizability. This is the most valuable application for designing and preparing novel spintronic injection source dilute magnetic semiconductors. The magnetic source is mainly mediated by the holes generated by Fe doping and O vacancy complexes, thereby causing the spin polarization double exchange effect on the electron of Ti–3d orbital atoms near the O vacancy, O–2p electron orbital, and Fe–3d electron orbital. This feature is consistent with the following theories: the mean field approximation and the double exchange mechanism theories.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Influence of Non-magnetic Ti{sup 4+} Ion Doping at Mn Site on Structural, Magnetic, and Magnetocaloric Properties of La{sub 0.5}Pr{sub 0.2}Sr{sub 0.3}Mn{sub 1−x}Ti{sub x}O{sub 3} Manganites (x = 0.0 and 0.1)

Polycrystalline perovskite AMn{sub 1−x}TiO{sub 3} with A = La{sub 0.5}Pr{sub 0.2}Sr{sub 0.3} (x = 0.0 and 0.1) have been prepared using solid-state reaction method. X-ray powder diffraction and Rietveld refinement revealed that all samples crystallize in a rhombohedral structure with space group R 3-bar c From M–T curve, we determined the Curie temperature, where the magnetization value decreases abruptly. The Curie temperature (T{sub C}) decreases from 280 to 123 K when the percentage of Ti increases to 10%. The values of the magnetization M(H) decrease when increasing the Ti content. Moreover, the magnetocaloric effect (MCE) was estimated in terms of isothermal entropy change (−ΔS{sub M}) using the M(T, μ{sub 0}H) data and employing the thermodynamic Maxwell equation. In addition, using a phenomenological model, we determine magnetocaloric effect from the calculation of magnetization as a function of temperature under different external magnetic fields. Also, we can determine the relative cooling power (RCP) and the specific heat which varies from 2.803 to 7.354 J/(kg/K) for the undoped sample from M(T, μ{sub 0}H) data at different magnetic fields theoretically.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Complicated Magnetic Phases and Presence of Exchange Bias in Off-Stoichiometric Mn{sub 50}Ni{sub 25 + x}In{sub 25−x} Heusler Alloys

The martensitic transformation (MT), magnetic phases, and exchange bias (EB) effect in Mn{sub 50}Ni{sub 25 + x}In{sub 25−x} (x = 14.5∼18) Heusler alloys have been investigated. The MT and magnetic state can be tuned significantly by modifying the Ni/In ratio, while the Curie temperature (T{sub C}) remains almost unchanged. With increase of the Ni/In ratio, the ferromagnetic components in the studied samples decrease continuously, while the antiferromagnetic components increase and it therefore enhances the exchange interaction as well. All of the samples exhibit negative horizontally shifted loops after field-cooled procedure. In addition, the samples with the compositional range of 15 ≤ x ≤ 16 also present the EB effect in zero field-cooled condition. To evaluate the causes of this scenario, EB field and coercive field as a function of temperature and cooling field have been investigated. The experimental results imply that the spin reconfiguration of superspin glass (SSG) clusters and the competition between antiferromagnetic and ferromagnetic interactions can account for the behavior of EB effect.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Magnetic, Magnetocaloric Properties, and Phenomenological Model in Amorphous Ni{sub 80−x}Fe{sub x}(SiB){sub 20} Alloys with (x = 0, 2.4, 8, and 16)

Amorphous Ni{sub 80−x}Fe{sub x}(SiB){sub 20} ribbons with different Fe concentrations (0 ≤ x ≤ 16) were fabricated by melt spinning technique, and their magnetic and magnetocaloric properties were investigated and a phenomenological model was also applied. The Curie temperature (T{sub C}), magnetic moment of transition metal and maximum magnetic entropy change (− ΔS{sub M}) increase with increasing Fe content. At a magnetic field change of 2 T, the (− ΔS{sub M}) and relative cooling power (RCP) show the highest values of 0.53 J/kg K and 85 J kg{sup −1} respectively for Fe{sub 16}Ni{sub 64}(SiB){sub 20} alloys. In addition, a satisfactory agreement between the experimental and Hamad’s phenomenological model is reported.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Mössbauer Study and Curie Temperature Configuration on Sintering Nano-Ni-Zn Ferrite Powder

Variations of Curie temperature and strength of magnetic phases with sintering temperature and Ni concentration is investigated in the present work. The AC susceptibility studies show a decrease in Curie temperature (TC) with an increase in Ni concentration in the samples. Comparison of Curie temperatures with the reported results reveals that samples in the present work show higher TC enabling high thermal stability. The Mössbauer spectra of nano- and sintered Ni-Zn ferrite samples were recorded at room temperature to monitor the local environment around Fe cations through Mössbauer hyperfine parameters as a function of composition and sintering temperatures. The increase in sharpness of the Mössbauer sextet with an increase in Ni concentration and sintering temperature corroborate improvement in homogeneity and ferrimagnetic ordering. The results of hyperfine parameters offer the possibility of having close view on configuring Curie temperature through monitoring hyperfine field by altering sintering temperature and/or Ni concentration. As the temperature dependence of magnetic and magnetoelastic properties is strongly influenced by the Curie temperature, the successful possible configuration of Curie temperature in the present work can be further investigated for desired sensor applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2019

Spin Glass Behavior in La{sub 0.7}Ca{sub 0.23}Sr{sub 0.07}MnO{sub 3} Nanofibers Obtained by Electrospinning

This work contributes to the development of new nanostructured mixed valence manganites and to explore and optimize their magnetic properties at 1-D level. Nanofibers of La{sub 0.7}Ca{sub 0.23}Sr{sub 0.07}MnO{sub 3} manganite were fabricated using the electrospinning method and three different heat treatments to determine how the nanostructure affects its thermomagnetic behavior. From scanning electron microscopy, nanofibers morphology was observed and average diameters of 75, 94, and 97 nm were identified after heat treatments of 973, 1073, and 1173 K, respectively. According to X-ray diffraction technique, a single-phase orthorhombic structure was defined for each sample. Average crystallite sizes were determined as 47, 49, and 58 nm. A ferromagnetic to paramagnetic transition with Curie temperatures of 297, 305, and 314 K were identified, respectively. Furthermore, a glassy state was induced by nanofibers agglomeration. The spin glass and irreversible temperatures diminished as the magnetic field was increased and a highly anisotropic state was evidenced for all samples. Thermomagnetic behavior in manganites showed to be significantly influenced by the one-dimensional structure and exposed how the dimensionality proportionated by the fabrication method can be used to adjust magnetic properties.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2019

Effect of V{sub Zn}/V{sub O} on Stability, Magnetism, and Electronic Characteristic of Oxygen Ions for Li-Doped ZnO

The effects of Zn/O vacancy (V{sub Zn}/V{sub O}) and different proportions of Li/V{sub Zn} on the magnetism of Li-doped ZnO are analyzed through first-principle calculation by using generalized gradient approximation+ U (GGA + U) under density functional theory. Results reveal that Li-doped ZnO with V{sub Zn} can realize ferromagnetic long-range order and has a Curie temperature above room temperature. Under different proportions of Li/V{sub Zn} (i.e., 1:1, 1:2, and 2:2) in ZnO (2 × 2 × 4), the doping system containing 2Li/2V{sub Zn} (Zn{sub 28}Li{sub 2}O{sub 32}) shows the greatest magnetic moment and the smallest differential charge density. These characteristics pave the way for enhancing the magnetic properties of dilute magnetic semiconductors. The oxygen atoms in Zn{sub 28}Li{sub 2}O{sub 32} show acceptor and donor characteristics and exist in the forms of itinerant electrons (O{sup 1−}) and local electrons (O{sup 2−}), which have different effects on Zn{sub 28}Li{sub 2}O{sub 32} magnetism. The spin-polarization double-exchange effect among the unpaired itinerant electron (O{sup 1−}) orbit, local electron (O{sup 2−}) orbit, and unpaired Zn-3d electron orbit is the origin of magnetism for Li-doped ZnO with V{sub Zn}. By contrast, the doping systems of Li-doped ZnO with V{sub O} are nonmagnetic, rendering such systems inapplicable.

36 MATERIALS SCIENCE↗