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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Geometric Frustration on the Trillium Lattice in a Magnetic Metal-Organic Framework

In the dense metal-organic framework Na [ Mn ( HCOO ) 3 ] , Mn 2 + ions ( S = 5 2 ) occupy the nodes of a “trillium” net. In this work, we show that the system is strongly magnetically frustrated: the Néel transition is suppressed well below the characteristic magnetic interaction strength; short-range magnetic order persists far above the Néel temperature; and the magnetic susceptibility exhibits a pseudo-plateau at 1 3 -saturation magnetization. A simple model of nearest-neighbor Heisenberg antiferromagnetic and dipolar interactions accounts quantitatively for all observations, including an unusual 2- k magnetic ground state. We show that the relative strength of dipolar interactions is crucial to selecting this particular ground state. Geometric frustration within the classical spin liquid regime gives rise to a large magnetocaloric response at low applied fields that is degraded in powder samples as a consequence of the anisotropy of dipolar interactions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

External-Field-Induced Phase Transformation and Associated Properties in a Ni 50 Mn 34 Fe 3 In 13 Metamagnetic Shape Memory Wire

Metamagnetic shape memory alloys exhibit a series of intriguing multifunctional properties and have great potential for applications in magnetic actuation, sensing and magnetic refrigeration. However, the poor mechanical properties of these alloys with hardly any tensile deformability seriously limit their practical application. In the present work, we developed a Ni-Fe-Mn-In microwire that exhibits both a giant, tensile superelasticity and a magnetic-field-induced first-order phase transformation. The recoverable strain of superelasticity is more than 20% in the temperature range of 233–283 K, which is the highest recoverable strain reported heretofore in Ni-Mn-based shape memory alloys (SMAs). Moreover, the present microwire exhibits a large shape memory effect with a recoverable strain of up to 13.9% under the constant tensile stress of 225 MPa. As a result of the magnetic-field-induced first-order phase transformation, a large reversible magnetocaloric effect with an isothermal entropy change ΔS m of 15.1 J kg –1 K –1 for a field change from 0.2 T to 5 T was achieved in this microwire. The realization of both magnetic-field and tensile-stress-induced transformations confers on this microwire great potential for application in miniature multi-functional devices and provides an opportunity for multi-functional property optimization under coupled multiple fields.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Advanced Processing of Functional Magnetic Materials

Functional materials, specifically those which respond to external stimuli such as magnetic and electrical field, are increasingly important for many green energy technologies. Functional magnetic materials are increasingly been investigated from basic and applied sciences perspectives. Probably, the best-known of these are permanent magnets, they are used to supply a magnetic field and are widely applied in motors, generators, data storage, sensors, and actuators. Other examples of functional materials include soft magnets, magnetocalorics, and thermoelectrics.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Borderline first-order magnetic phase transition in AlFe 2 B 2

The thermal evolution of lattice parameters coupled with heat capacity data provide insight into tailorable magnetism-structure attributes in the orthorhombic compound AlFe 2 B 2 that was synthesized with and without small additions of gallium. Temperature-dependent X-ray powder diffraction experiments conducted through the magnetic phase transition reveal that the a- and b-parameters of both samples increase with increasing temperature while the c-parameter decreases. While a weak volumetric thermal expansion is noted over a range of temperatures well below and above the magnetic phase transition, anomalous behavior was observed within the phase transition region itself to reveal a magnetostructural phase transition with borderline first-order character in the Ga-modified sample but of more second-order character in the Ga-free sample. It is established that the nearest-neighbor Fe-Fe interatomic distance within the (ab)-plane plays a dominant role in influencing the magneto-functional response of these compounds. The magnetocaloric properties are discussed in the context of temperature-induced changes of the interatomic bonding that are influenced by the hypothesized presence of iron antisite defects in the AlFe 2 B 2 lattice.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Tailoring Negative Thermal Expansion via Tunable Induced Strain in La–Fe–Si-Based Multifunctional Material

Zero thermal expansion (ZTE) composites are typically designed by combining positive (PTE) with negative thermal expansion (NTE) materials acting as compensators and have many diverse applications, including in high-precision instrumentation and biomedical devices. La(Fe 1-x ,Si x )13-based compounds display several remarkable properties, such as giant magnetocaloric effect and very large NTE at room-temperature. Both are linked via strong magnetovolume coupling, which leads to sharp magnetic and volume changes occurring simultaneously across first-order phase transitions; the abrupt nature of these changes makes them unsuitable as thermal expansion compensators. To make these materials more useful practically, the mechanisms controlling the temperature over which this transition occurs and the magnitude of contraction need to be controlled. In this work, ball-milling was used to decrease particles and crystallite sizes and increase the strain in LaFe 11.9 Mn 0.27 Si 1.29 H x alloys. Such size and strain tuning effectively broadened the temperature over which this transition occurs. The material’s NTE operational temperature window was expanded, and its peak was suppressed by up to 85%. This work demonstrates that induced strain is the key mechanism controlling these materials’ phase transitions. This allows the optimization of their thermal expansion towards room-temperature ZTE-applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Quantum simulation of an extended Dicke model with a magnetic solid

Abstract The Dicke model describes the cooperative interaction of an ensemble of two-level atoms with a single-mode photonic field and exhibits a quantum phase transition as a function of light–matter coupling strength. Extending this model by incorporating short-range atom–atom interactions makes the problem intractable but is expected to produce new physical phenomena and phases. Here, we simulate such an extended Dicke model using a crystal of ErFeO 3 , where the role of atoms (photons) is played by Er 3+ spins (Fe 3+ magnons). Through terahertz spectroscopy and magnetocaloric effect measurements as a function of temperature and magnetic field, we demonstrated the existence of a novel atomically ordered phase in addition to the superradiant and normal phases that are expected from the standard Dicke model. Further, we elucidated the nature of the phase boundaries in the temperature–magnetic-field phase diagram, identifying both first-order and second-order phase transitions. These results lay the foundation for studying multiatomic quantum optics models using well-characterized many-body solid-state systems.

Marquez Peraca, Nicolas↗
DOE OSTI2020

Temperature-independent giant dielectric response in transitional BaTiO 3 thin films

Ferroelectric materials exhibit the largest dielectric permittivities and piezoelectric responses in nature, making them invaluable in applications from supercapacitors or sensors to actuators or electromechanical transducers. The origin of this behavior is their proximity to phase transitions. However, the largest possible responses are most often not utilized due to the impracticality of using temperature as a control parameter and to operate at phase transitions. This has motivated the design of solid solutions with morphotropic phase boundaries between different polar phases that are tuned by composition and that are weakly dependent on temperature. Thus far, the best piezoelectrics have been achieved in materials with intermediate (bridging or adaptive) phases. But so far, complex chemistry or an intricate microstructure has been required to achieve temperature-independent phase-transition boundaries. Here, we report such a temperature-independent bridging state in thin films of chemically simple BaTiO3. A coexistence among tetragonal, orthorhombic, and their bridging low-symmetry phases are shown to induce continuous vertical polarization rotation, which recreates a smear in-transition state and leads to a giant temperature-independent dielectric response. The current material contains a ferroelectric state that is distinct from those at morphotropic phase boundaries and cannot be considered as ferroelectric crystals. We believe that other materials can be engineered in a similar way to contain a ferroelectric state with gradual change of structure, forming a class of transitional ferroelectrics. Similar mechanisms could be utilized in other materials to design low-power ferroelectrics, piezoelectrics, dielectrics, or shape-memory alloys, as well as efficient electro- and magnetocalorics.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Compact and efficient elastocaloric heat pumps—Is there a path forward?

Elastocaloric cooling holds promise for energy-efficient heat pumping near room temperature with low environmental impact. Its adoption is, however, impeded by disproportionally large sizes of actuators compared with the active material volume. Taking magnetocaloric cooling as the baseline, the value of no more than 10:1 actuator volume to active material volume should lead to both size- and cost-effective solutions that may potentially be competitive with vapor-compression devices. With the goal to establish performance metrics that can lead to informed actuator selection for specific regenerator requirements, we analyze a wide range of elastocaloric materials and actuator technologies to find the best matches. We find that actuation with magnetic shape memory alloys meets all requirements; however, this technology is currently in early developmental stages and such actuators are not widely commercially available. Another promising and easily accessible option is standard rotary electric motors in combination with rotary-to-linear transduction mechanisms. A theoretical analysis of two case studies of elastocaloric systems using rotary electric motors with a Scotch yoke mechanism demonstrates the usefulness of our approach. Actuator requirements are based on two different regenerator configurations: one starting from zero strain without any mechanical energy recovery and another with 2% pre-strain and mechanical energy recovery to reduce the power and torque required from the motor. Our results indicate that the 10:1 target actuator to active material volume ratio can be met and feasibly lowered further, demonstrating that the proposed method for selecting actuators makes compact and efficient elastocaloric systems possible.

42 ENGINEERING↗
DOE OSTI2024

Stability of the first-order character of phase transition in HoCo 2

HoCo 2 exhibits a giant magnetocaloric (MC) effect at its first-order magnetostructural phase transition around 77 K, and understanding the thermodynamic nature of this transition in response to external magnetic fields is crucial for its MC applications. In this study, we present a comprehensive investigation of specific heat and magnetization measurements of HoCo 2 under varying magnetic fields. The specific heat measurements qualitatively indicate a transformation from first- to second-order behavior of this phase transition at higher magnetic fields. However, analysis of the power-law dependence of the magnetic entropy change (Δ S M ∝H n ) and the breakdown of universal behavior in the temperature dependence of Δ S M suggest that the first-order nature remains intact, even up to 7 T. This stability of the first-order nature is further manifested through the distinctive non-linear behavior of modified Arrott plots, with a negative slope in the 6–7 T range.

36 MATERIALS SCIENCE↗
DOE OSTI2025

High-throughput studies of novel magnetic materials in borides

Borides are a versatile material family with various properties for valuable applications. Conventional magnetism, such as ferromagnetism and antiferromagnetism in borides, have been extensively studied. However, research on unconventional magnetism in borides where quantum effects are dominant is scarce. Here, we implement a high-throughput workflow combining first-principles calculations, materials prediction, and magnetic properties calculations to discover novel magnetism and magnetic materials in borides. Successfully applying the workflow, we report three families of novel magnetic borides, including two families of borides exhibiting quantum magnetism. One is a family of dimerized quantum magnets among YCrB 4 -type borides, which provides a rare platform for studying the spin-gap quantum critical point. The other is a family of altermagnets among FeMo2B 2 -type borides, extending the magnetic orderings exhibited by borides beyond conventional ferromagnetism and antiferromagnetism. We also predict a family of magnetic laminate transition metal borides, known as the MAB phases, in the AlFe 2 B 2 -type family, which provide pure-phase or alloying candidates for studying magnetocaloric materials and the associated magnetic transitions. The workflow is expected to be used in further studies of novel magnetism and magnetic materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Two-dimensional quantum universality in the spin-1/2 triangular-lattice quantum antiferromagnet Na 2 BaCo(PO 4 ) 2

An interplay of geometrical frustration and strong quantum fluctuations in a spin-1/2 triangular-lattice antiferromagnet (TAF) can lead to exotic quantum states. Here, we report the neutron-scattering, magnetization, specific heat, and magnetocaloric studies of the recently discovered spin-1/2 TAF Na 2 BaCo(PO 4 ) 2 , which can be described by a spin-1/2 easy axis XXZ model. The zero-field neutron diffraction experiment reveals an incommensurate antiferromagnetic ground state with a significantly reduced ordered moment of about 0.54(2) μ B /Co. Different magnetic phase diagrams with magnetic fields in the a b plane and along the easy c -axis were extracted based on the magnetic susceptibility, specific heat, and elastic neutron-scattering results. In addition, two-dimensional (2D) spin dispersion in the triangular plane was observed in the high-field polarized state, and microscopic exchange parameters of the spin Hamiltonian have been determined through the linear spin wave theory. Consistently, quantum critical behaviors with the universality class of d = 2 and ν z = 1 were established in the vicinity of the saturation field, where a Bose–Einstein condensation (BEC) of diluted magnons occurs. The newly discovered quantum criticality and fractional magnetization phase in this ideal spin-1/2 TAF present exciting opportunities for exploring exotic quantum phenomena.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Balancing performance of active magnetic regenerators: a comprehensive experimental study of aspect ratio, particle size, and operating conditions

Abstract Effective and, at the same time, efficient active magnetic regenerator (AMR) performance requires balanced geometry and operating conditions. Here the influence of regenerator shape, magnetocaloric material size, operating frequency, and utilization on the performance of gadolinium packed-particle bed AMRs is demonstrated experimentally. Various metrics are applied to assess effectiveness and efficiency. Observed temperature spans and cooling powers across a wide range of operating conditions are used to evaluate system performance and estimate exergetic cooling power and exergetic power quotient. A new metric combining exergetic cooling power and pump power provides an estimate of the maximum achievable second law efficiency. Five regenerator geometries with equal volumes and the aspect ratio from 1.0 to 3.8, and four different ranges of Gd spherical particles between 182 and 354 µ m, are investigated. Improvements in system performance are demonstrated by a boost in specific cooling power of gadolinium from 0.85 to 1.16 W g −1 and maximum temperature span from 8.9 to 15.1 K. The optimum exergetic cooling power is observed for 1.37 utilization and 3 Hz operating frequency, exergetic power quotient exhibits a maximum at the same utilization but at 2 Hz frequency, while the highest efficiency is recorded at 1 Hz and utilization of 0.5, demonstrating that multiple performance metrics must be balanced to achieve regenerator design meeting all performance targets.

42 ENGINEERING↗
DOE OSTI2026

Emergent quasi-one-dimensional antiferromagnetism in the distorted kagome magnet CePtPb

CePtPb hosts a distorted kagome lattice of Ce 3+ ions, providing a clean platform to investigate how reduced local symmetry and strong spin-orbit coupling reshape frustrated magnetism. Magnetization, specific heat, and magnetocaloric effect measurements, combined with a symmetry analysis of the single-ion anisotropy, demonstrate that the local 𝑚⁢2⁢𝑚 site symmetry selects a nearly Ising-like Kramers doublet with easy axes lying within the 𝑎⁢𝑏 plane. This results in three distinct in-plane Ising directions and an overall easy-plane anisotropy. The low-energy magnetic response is well captured by a three-sublattice Ising model, which quantitatively reproduces the saturation magnetization for arbitrary in-plane field orientations, including $[110]$ and $[1\bar{⁢1}⁢0]$, as well as the ratio of the field-induced critical fields. For 𝐵∥$[110]$, the phase diagram exhibits two quantum critical points at 𝐵 c⁢1 = 0.25T and 𝐵 c⁢2 = 0.55T, arising from the sequential polarization of the three Ising sublattices. In conclusion, these results reveal that the system develops quasi-one-dimensional spin chains along the 𝑐 axis, emerging from the nominally three-dimensional crystal structure composed of stacked kagome layers, and illustrate how reduced local symmetry can drive effective dimensional reduction in rare-earth Ising magnets.

Li, Fangli [Southern University of Science and Tec↗
DOE OSTI2022

Slow spin dynamics and quantum tunneling of magnetization in the dipolar antiferromagnet DyScO 3

Here, we present a comprehensive study of static and dynamic magnetic properties in the Ising-like dipolar antiferromagnet (AFM) DyScO 3 by means of DC and AC magnetization measurements supported by classical Monte Carlo calculations. Our AC-susceptibility data show that the magnetic dynamics exhibit a clear crossover from an Arrhenius-like regime to quantum tunneling of magnetization (QTM) at T*=10K. Below T N =3.2K, DyScO 3 orders in an antiferromagnetic GxAy-type magnetic structure and the magnetization dynamics slow down to the minute timescale. The low-temperature magnetization curves exhibit complex hysteretic behavior, which depends strongly on the magnetic field sweep rate. We demonstrate that the low-field anomalies on the magnetization curve are related to the metamagnetic transition, while the hysteresis at higher fields is induced by a strong magnetocaloric effect. Our theoretical calculations, which take into account dipolar interaction between Dy 3+ moments, reproduce essential features of the magnetic behavior of DyScO 3 . We demonstrate that DyScO 3 represents a rare example of an inorganic compound, which exhibits QTM at a single-ion level and magnetic order due to classical dipolar interaction.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Electronic and magnetic phase diagrams of the Kitaev quantum spin liquid candidate Na 2 Co 2 TeO 6

The 3⁢d 7 Co 2+ -based insulating magnet Na 2 ⁢Co 2 ⁢TeO 6 has recently been reported to have strong Kitaev interactions on a honeycomb lattice and is thus being considered as a Kitaev quandum spin liquid candidate. However, due to the existence of other types of interactions, a spontaneous long-range magnetic order occurs. This order is suppressed by applied magnetic fields leading to a succession of phases and ultimately saturation of the magnetic moments. The precise phase diagram, the nature of the phases, and the possibility that one of the field-induced phases is a Kitaev quantum spin liquid phase are still a matter of debate. Here, in this study, we measured an extensive set of physical properties to build the complete temperature-field phase diagrams to magnetic saturation at 10 T for magnetic fields along the a and a* axes, and a partial phase diagram up to 60 T along c. We probe the phases using magnetization, specific heat, magnetocaloric effect, magnetostriction, dielectric constant, and electric polarization, which is a symmetry-sensitive probe. With these measurements, we identify all the previously incomplete phase boundaries and find additional high-field phase boundaries. We find strong magnetoelectric coupling in the dielectric constant and moderate magnetostrictive coupling at several phase boundaries. Furthermore, we detect the symmetry of the magnetic order using electrical polarization measurements under magnetic fields. Based on our analysis, the absence of electric polarization under zero or finite magnetic field in any of the phases or after any combination of magnetic/electric field cooling suggests that a zigzag spin structure is more likely than a triple-Q spin structure at zero field. Finally, we investigate the hysteresis and first- or second-order nature of each phase transition and its entropy changes. With this information, we establish a map of the magnetic phases of this compound and its magnetic, thermodynamic, and magnetoelectric properties, and discuss where spin liquid or other phases may be sought in future studies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Quantum criticality in the anisotropic spin-chain antiferromagnet Ca 2 ⁢CoH 2 ⁢(SeO 3 ) 4

Here, the quantum criticality of an XXZ-type spin chain antiferromagnet Ca 2 ⁢CoH 2 ⁢(SeO 3 ) 4 , subjected to an external magnetic field, was investigated through ultralow-temperature specific heat, magnetocaloric effect, and magnetic susceptibility measurements. In the absence of an external magnetic field, the system undergoes an antiferromagnetic phase transition at T N = 1.42K. The application of an external field gradually suppresses the antiferromagnetic order. Furthermore, an additional phase emerges in the intermediate field range when the zero-field antiferromagnetic order is suppressed, resulting in a quantum critical point at B s ≈ 2.55T. Near this field-induced quantum critical point, universal scaling behaviors are observed, characterized by the universality class parameters d=1, v=1/2, and z=2.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Anisotropy, frustration, and saddle point in the twisted kagome compound ErPdPb

The kagome lattice, with its inherent geometric frustration, provides a rich platform for exploring intriguing magnetic phenomena and topological electronic structures. In reduced-symmetry structures, such as twisted kagome systems involving rare earth elements, additional anisotropy can arise, enabling intriguing properties including spin-ice states, magnetocaloric effects, noncollinear magnetic ordering, and the anomalous Hall effect. Here, we report the synthesis of single crystals of ErPdPb, which features a twisted kagome lattice net of Er atoms within the hexagonal ZrNiAl-type structure, and we investigate its magnetic, electronic, and thermal properties. The material exhibits a highly anisotropic, correlated magnetic state below 2.7 K, as evidenced by magnetic, transport, and heat capacity measurements. Density functional theory (DFT) calculations indicate strong easy-axis anisotropy, consistent with experiment and crystal-field expectations, as well as quasi-one-dimensional bands and a spin-split saddle point at the zone center. Here, the coexistence of competing magnetic interactions along different crystallographic directions suggests an inherent degree of frustration. ErPdPb thus provides a promising platform for exploring the interplay of frustration, anisotropy, and electronic structure in a twisted kagome lattice.

Antiferromagnets↗
DOE OSTI2024

Hybrid magnon-phonon localization enhances function near ferroic glassy states

Ferroic materials on the verge of forming ferroic glasses exhibit heightened functionality that is often attributed to competing long- and short-range correlations. However, the physics underlying these enhancements is not well understood. The Ni 45 Co 5 Mn 36.6 In 13.4 Heusler alloy is on the edge of forming both spin and strain glasses and exhibits magnetic field–induced shape memory and large magnetocaloric effects, making it a candidate for multicaloric cooling applications. We show using neutron scattering that localized magnon-phonon hybrid modes, which are inherently spread across reciprocal space, act as a bridge between phonons and magnons and result in substantial magnetic field–induced shifts in the phonons, triple the caloric response, and alter phase stability. We attribute these modes to the localization of phonons and magnons by antiphase boundaries coupled to magnetic domains. Because the interplay between short- and long-range correlations is common near ferroic glassy states, our work provides general insights on how glassiness enhances function.

36 MATERIALS SCIENCE↗