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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 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Physical properties of the inner shocks in hot, tilted black hole accretion flows

Simulations of hot, pressure-supported, tilted black hole accretion flows, in which the angular momentum of the flow is misaligned with the black hole spin axis, can exhibit two nonaxisymmetric shock structures in the inner regions of the flow. We analyze the strength and significance of these shock structures in simulations with tilt angles of 10° and 15°. By integrating fluid trajectories in the simulations through the shocks and tracking the variations of fluid quantities along these trajectories, we show that these shocks are strong, with substantial compression ratios, in contrast to earlier claims. However, they are only moderately relativistic. We also show that the two density enhancements resembling flow streams in their shape are in fact merely post-shock compressions, as fluid trajectories cut across, rather than flow along, them. The dissipation associated with the shocks is a substantial fraction (≅ 3%-12%) of the rest mass energy advected into the hole, and therefore comparable to the dissipation expected from turbulence. The shocks should therefore make order unity changes in the observed properties of black hole accretion flows that are tilted.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

DISCOVERY OF X-RAY PULSATIONS FROM THE INTEGRAL SOURCE IGR J11014–6103

We report the discovery of PSR J1101–6101, a 62.8 ms pulsar in IGR J11014–6103, a hard X-ray source with a jet and a cometary tail that strongly suggests it is moving away from the center of the supernova remnant (SNR) MSH 11–61A at v > 1000 km s{sup –1}. Two XMM-Newton observations were obtained with the EPIC pn in small window mode, resulting in the measurement of its spin-down luminosity E-dot =1.36×10{sup 36} erg s{sup –1}, characteristic age τ {sub c} = 116 kyr, and surface magnetic field strength B{sub s} = 7.4 × 10{sup 11} G. In comparison to τ {sub c}, the 10-30 kyr age estimated for MSH 11–61A suggests that the pulsar was born in the SNR with initial period in the range 54 ≤ P {sub 0} ≤ 60 ms. PSR J1101–6101 is the least energetic of the 15 rotation-powered pulsars detected by INTEGRAL, and has a high efficiency of hard X-ray radiation and jet power. We examine the shape of the cometary nebula in a Chandra image, which is roughly consistent with a bow shock at the velocity inferred from the SNR age and the pulsar's E-dot . However, its structure differs in detail from the classic bow shock, and we explore possible reasons for this.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Putative quantum criticality in the (Cr{sub 90}Ir{sub 10}){sub 100−y}V{sub y} alloy system

Quantum criticality (QC) in spin-density-wave antiferromagnetic Cr and Cr alloy systems is a topic of current interest. In the present study, V was used as a tuning parameter to drive the Néel transition temperature (T{sub N}) of the (Cr{sub 90}Ir{sub 10}){sub 100−y}V{sub y} alloy series with 0 ≤ y ≤ 14.3 to zero and search for effects of QC in the process. The magnetic properties and possible QC behaviour (QCB) in this alloy system were investigated through electrical resistivity (ρ), specific heat (C{sub p}), and susceptibility (χ) measurements as a function of temperature (T), indicating that T{sub N} is suppressed to zero at a critical concentration y{sub c} ≈ 9. The Sommerfeld coefficient (γ) is considered a key indicator of QCB and a peak is observed in γ(y) at y{sub c} on decreasing y through this concentration, followed by a sharp decreasing trend. This behaviour is reminiscent of that observed for γ of the prototypical Cr{sub 100−x}V{sub x} QC system and allows for the classification of y{sub c} in the (Cr{sub 90}Ir{sub 10}){sub 100−y}V{sub y} alloy system as a possible QC point.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Fine-structure calculations of energy levels, oscillator strengths, and transition probabilities for sulfur-like iron, Fe XI

Energy levels, oscillator strengths, and transition probabilities for transitions among the 14 LS states belonging to configurations of sulfur-like iron, Fe XI, have been calculated. These states are represented by configuration interaction wavefunctions and have configurations 3s{sup 2}3p{sup 4}, 3s3p{sup 5}, 3s{sup 2}3p{sup 3}3d, 3s{sup 2}3p{sup 3}4s, 3s{sup 2}3p{sup 3}4p, and 3s{sup 2}3p{sup 3}4d, which give rise to 123 fine-structure energy levels. Extensive configuration interaction calculations using the CIV3 code have been performed. To assess the importance of relativistic effects, the intermediate coupling scheme by means of the Breit–Pauli Hamiltonian terms, such as the one-body mass correction and Darwin term, and spin–orbit, spin–other-orbit, and spin–spin corrections, are incorporated within the code. These incorporations adjusted the energy levels, therefore the calculated values are close to the available experimental data. Comparisons between the present calculated energy levels as well as oscillator strengths and both experimental and theoretical data have been performed. Our results show good agreement with earlier works, and they might be useful in thermonuclear fusion research and astrophysical applications. -- Highlights: •Accurate atomic data of iron ions are needed for identification of solar corona. •Extensive configuration interaction wavefunctions including 123 fine-structure levels have been calculated. •The relativistic effects by means of the Breit–Pauli Hamiltonian terms are incorporated. •This incorporation adjusts the energy levels, therefore the calculated values are close to experimental values.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2017

Two-loop free energy of three-dimensional antiferromagnets in external magnetic and staggered fields

Using a model-independent low-energy effective field theory, we calculate the free energy of three-dimensional antiferromagnets in a combination of mutually perpendicular external magnetic and staggered fields at the next-to-next-to-leading, two-loop order. Renormalization is carried out analytically, and the renormalization group invariance of the result is checked explicitly. The free energy is thus expressed solely in terms of temperature, the external fields, and a set of low-energy coupling constants, to be determined by experiment or by matching to the microscopic model of a given concrete material.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Dynamics in hard condensed matter probed by X-ray photon correlation spectroscopy: Present and beyond

Insight into the spatial ordering and dynamics of structural heterogeneity in materials is at the heart of understanding their structure and function. X-ray photon correlation spectroscopy (XPCS) measures the dynamic structure factor providing S(Q,t) information on the spontaneous low-energy dynamics intrinsic to many materials. Combined with in situ and in operando capabilities, XPCS provides unique insight into a variety of scientific areas, including phase separation in binary alloys, aging in metallic glasses, surface dynamics during growth, domain wall dynamics in ferroic complex oxides and charge and spin density wave motion in quantum materials. In conclusion, this review summarizes some recent XPCS work in these areas and discusses scientific opportunities that will be made possible with the many-fold increase in coherent flux provided by the world-wide construction and commissioning of X-ray sources based on multi-bend achromat (MBA) storage ring (SR) lattices and high repetition rate free electron lasers (FELs).

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2026

Complex magnetic ground state driving a large rotating magnetocaloric effect in Tb 3 Ni at low temperature

The rotating magnetocaloric effect (RMCE) offers a promising alternative to conventional magnetocaloric configurations by taking advantage of magnetic anisotropy to simplify device architecture and enhance refrigeration efficiency. In this study, the RMCE in a high-quality single crystal of Tb 3 Ni is investigated, a compound previously shown to exhibit significant magnetocaloric behavior along its easy axis of magnetization. By measuring the magnetization and corresponding entropy change along the three principal crystallographic axes using a discontinuous measurement protocol, we verify the anisotropic magnetic properties and derive the RMCE from rotations between hard ( a, b ) and easy ( c ) axes of magnetization. Our results show a maximum value for the rotating entropy change of 19.5 J kg −1 K −1 for µ 0 H = 7 T around 60 K, within the critical temperature window for industrial gas liquefaction applications. Neutron diffraction and magnetic Pair-Distribution Function (mPDF) analysis reveal that the origin of this large anisotropic response lies in a partially ordered incommensurate spin-density wave phase and persistent short-range ferromagnetic (FM) correlations. These complex magnetic states enable the release of a substantial amount of magnetic entropy when the field is applied along the easy c-axis, effectively driving the large RMCE. Comparison with other RMCE materials confirms Tb 3 Ni as one of the most promising candidates in this temperature regime, offering both a large magnetic entropy change and a wide operating window.

Gas liquefaction↗
DOE OSTI2017

On magnetic structure of CuFe 2 Ge 2 : Constrains from the 57 Fe Mössbauer spectroscopy

57 Fe Mössbauer spectroscopy measurements were performed on a powdered CuFe 2 Ge 2 sample that orders antiferromagnetically at ~175 K. Whereas a paramagnetic doublet was observed above the Néel temperature, a superposition of paramagnetic doublet and magnetic sextet (in approximately 0.5:0.5 ratio) was observed in the magnetically ordered state, suggesting a magnetic structure similar to a double-Q spin density wave with half of the Fe paramagnetic and another half bearing static moment of ~0.5–1μ B . Lastly, these results call for a re-evaluation of the recent neutron scattering data and band structure calculations, as well as for deeper examination of details of sample preparation techniques.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Transformation of Structure, Electrical Conductivity, and Magnetism in AA'Fe 2 O 6-δ , A = Sr, Ca and A' = Sr

The ability to control electrical properties and magnetism by varying the crystal structure using the effect of the A-site cation in oxygen-deficient perovskites has been studied in AA’Fe 2 O 6-δ , where A=Sr, Ca and A’= Sr. The structure of Sr 2 Fe 2 O 6-δ , synthesized at 1250 °C in air, contains dimeric units of FeO 5 square-pyramids separated by FeO 6 octahedra. Here we show that this ordering scheme can be transformed by changing the A-site cations from Sr to Ca. This leads to a structure where layers of corner-sharing FeO 6 octahedra are separated by chains of FeO 4 tetrahedra. Through systematic variation of the A-site cations, we have determined the average ionic radius required for this conversion to be ~1.41 Å. We have demonstrated that the magnetic structure is also transformed. The Sr 2 compound has an incommensurate magnetic structure, where magnetic moments are in spin-density wave state, aligning perpendicular to the body diagonal of the unit cell. With the aid of neutron diffraction experiments at 10 K and 300 K, we have shown that the magnetic structure is converted into a long-range G-type antiferromagnetic system when one Sr is replaced by Ca. In this G-type ordering scheme, the magnetic moments align in the 001 direction, antiparallel to their nearest neighbors. We have also performed variable-temperature electrical conductivity studies on these materials in the temperature range 298 – 1073 K. These studies have revealed the transformation of charge transport properties, where the metallic behavior of the Sr 2 -compound is converted into semiconductivity in the CaSr-material. The trend of conductivity as a function of temperature is reversed upon changing the A-site cation. The conductivity of the Sr 2 compound shows a downturn, while the conductivity of the CaSr material increases as a function of temperature. We have also shown that the CaSr-compound exhibits temperature-dependent behavior typical of a mixed ionic-electronic conducting system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Pressure-Stabilized MnSb2 with Complex Incommensurate Magnetic Order

Marcasite-type compounds have been proposed as promising hosts of exotic magnetic quantum states, yet experimental realizations in stoichiometric, disorder-free systems remain limited. Here, we report the high-pressure stabilization and magnetic characterization of MnSb2, a marcasite-type compound that is thermodynamically metastable under ambient pressure. Single crystals were synthesized using a cubic multianvil press at 3.3 GPa and 490 °C for 24 h, and powder and single-crystal X-ray diffraction confirm the orthorhombic Pnnm structure. These crystals are stable at ambient pressure for a long time up to between 450 and 500 K. Heat-capacity measurements reveal phase transitions at approximately T0 ∼ 118 K and T1 ∼ 220 K. Neutron diffraction uncovers an unconventional magnetic state below T1 ∼ 220 K. Magnetic powder neutron diffraction refinements reveal possible multiple magnetic configurations that provide comparably acceptable fits to the experimental data. While most solutions are consistent with a spin-density-wave (SDW) description, helical models systematically yield inferior agreement factors. Across a broad range of models, the Mn ordered moment reaches a maximum value of approximately 2 μB and remains predominantly collinear, with minimal canting along the c-axis. At 200 K, the magnetic propagation vector is q = (0, 0.3975, 0.3783); upon cooling, the b component increases toward 0.5, reflecting a temperature-dependent evolution of the modulation. The need for modification of the magnetic model between high and low temperatures further highlights the complex and strongly temperature-dependent nature of the magnetic order in this system. These results establish MnSb2 as a pressure-stabilized marcasite magnet with a tunable, complex magnetic state and a compelling stoichiometric platform for exploring unconventional magnetic behavior, including potential altermagnetism.

Xu, Mingyu [Michigan State University , , , ,; Iow↗
DOE OSTI2021

A continuous metal-insulator transition driven by spin correlations

While Mott insulators induced by Coulomb interactions are a well-recognized class of metal-insulator transitions, insulators purely driven by spin correlations are much less common, as the reduced energy scale often invites competition from other degrees of freedom. Here, we demonstrate a clean example of a spin-correlation-driven metal-insulator transition in the all-in-all-out pyrochlore antiferromagnet Cd 2 Os 2 O 7 , where the lattice symmetry is preserved by the antiferromagnetism. After the antisymmetric linear magnetoresistance from conductive, ferromagnetic domain walls is removed experimentally, the bulk Hall coefficient reveals four Fermi surfaces of both electron and hole types, sequentially departing the Fermi level with decreasing temperature below the Néel temperature, T N = 227 K. In Cd 2 Os 2 O 7 , the charge gap of a continuous metal-insulator transition opens only at T ~ 10 K << T N . The insulating mechanism parallels the Slater picture, but without a folded Brillouin zone, and contrasts sharply with Mott insulators and spin density waves, where the electronic gap opens above and at T N , respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Multiple fermion scattering in the weakly coupled spin-chain compound YbAlO 3

The Heisenberg antiferromagnetic spin-1/2 chain, originally introduced almost a century ago, is one of the best studied models in quantum mechanics due to its exact solution, but nevertheless it continues to present new discoveries. Its low-energy physics is described by the Tomonaga-Luttinger liquid of spinless fermions, similar to the conduction electrons in one-dimensional metals. In this work we investigate the Heisenberg spin-chain compound YbAlO3 and show that the weak interchain coupling causes Umklapp scattering between the left- and right-moving fermions and stabilizes an incommensurate spin-density wave order at q = 2k F under finite magnetic fields. These Umklapp processes open a route to multiple coherent scattering of fermions, which results in the formation of satellites at integer multiples of the incommensurate fundamental wavevector Q = nq. Our work provides surprising and profound insight into bandstructure control for emergent fermions in quantum materials, and shows how neutron diffraction can be applied to investigate the phenomenon of coherent multiple scattering in metals through the proxy of quantum magnetic systems.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Evidence for charge delocalization crossover in the quantum critical superconductor CeRhIn5

Abstract The nature of charge degrees-of-freedom distinguishes scenarios for interpreting the character of a second order magnetic transition at zero temperature, that is, a magnetic quantum critical point (QCP). Heavy-fermion systems are prototypes of this paradigm, and in those, the relevant question is where, relative to a magnetic QCP, does the Kondo effect delocalize their f -electron degrees-of-freedom. Herein, we use pressure-dependent Hall measurements to identify a finite-temperature scale E loc that signals a crossover from f -localized to f -delocalized character. As a function of pressure, E loc ( P ) extrapolates smoothly to zero temperature at the antiferromagnetic QCP of CeRhIn 5 where its Fermi surface reconstructs, hallmarks of Kondo-breakdown criticality that generates critical magnetic and charge fluctuations. In 4.4% Sn-doped CeRhIn 5 , however, E loc ( P ) extrapolates into its magnetically ordered phase and is decoupled from the pressure-induced magnetic QCP, which implies a spin-density-wave (SDW) type of criticality that produces only critical fluctuations of the SDW order parameter. Our results demonstrate the importance of experimentally determining E loc to characterize quantum criticality and the associated consequences for understanding the pairing mechanism of superconductivity that reaches a maximum T c in both materials at their respective magnetic QCP.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Unconventional and conventional quantum criticalities in CeRh 0.58 Ir 0.42 In 5

An appropriate description of the state of matter that appears as a second order phase transition is tuned toward zero temperature, viz. quantum-critical point (QCP), poses fundamental and still not fully answered questions. Experiments are needed both to test basic conclusions and to guide further refinement of theoretical models. Here, charge and entropy transport properties as well as AC specific heat of the heavy-fermion compound CeRh 0.58 Ir 0.42 In 5 , measured as a function of pressure, reveal two qualitatively different QCPs in a single material driven by a single non-symmetry-breaking tuning parameter. A discontinuous sign-change jump in thermopower suggests an unconventional QCP at p c1 accompanied by an abrupt Fermi-surface reconstruction that is followed by a conventional spin-density-wave critical point at p c2 across which the Fermi surface evolves smoothly to a heavy Fermi-liquid state. These experiments are consistent with some theoretical predictions, including the sequence of critical points and the temperature dependence of the thermopower in their vicinity.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Competitive and cooperative electronic states in Ba(Fe1−xTx)2As2 with T = Co, Ni, Cr

Abstract The electronic inhomogeneities in Co, Ni, and Cr doped BaFe 2 As 2 single crystals are compared within three bulk property regions: a pure superconducting (SC) dome region, a coexisting SC and antiferromagnetic (AFM) region, and a non-SC region. Machine learning is utilized to categorize the inhomogeneous electronic states: in-gap, L-shape, and S-shape states. Although the relative percentages of the states vary in the three samples, the total volume fraction of the three electronic states is quite similar. This is coincident with the number of electrons (Ni 0.04 and Co 0.08 ) and holes (Cr 0.04 ) doped into the compounds. The in-gap state is confirmed as a magnetic impurity state from the Co or Ni dopants, the L-shape state is identified as a spin density wave which competes with the SC phase, and the S-shape state is found to be another form of magnetic order which constructively cooperates with the SC phase, rather than competing with it.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Observation of dimension-crossover of a tunable 1D Dirac fermion in topological semimetal NbSi x Te 2

Condensed matter systems in low dimensions exhibit emergent physics that does not exist in three dimensions. When electrons are confined to one dimension (1D), some significant electronic states appear, such as charge density wave, spin-charge separations, and Su-Schrieffer-Heeger (SSH) topological state. However, a clear understanding of how the 1D electronic properties connects with topology is currently lacking. Here we systematically investigated the characteristic 1D Dirac fermion electronic structure originated from the metallic NbTe 2 chains on the surface of the composition-tunable layered compound NbSi x Te 2 (x = 0.40 and 0.43) using angle-resolved photoemission spectroscopy. We found the Dirac fermion forms a Dirac nodal line structure protected by the combined $\widetilde {M_y}$ and time-reversal symmetry T and proves the NbSi x Te2 system as a topological semimetal, in consistent with the ab-initio calculations. As x decreases, the interaction between adjacent NbTe 2 chains increases and Dirac fermion goes through a dimension-crossover from 1D to 2D, as evidenced by the variation of its Fermi surface and Fermi velocity across the Brillouin zone in consistence with a Dirac SSH model. Our findings demonstrate a tunable 1D Dirac electron system, which offers a versatile platform for the exploration of intriguing 1D physics and device applications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Gapped commensurate antiferromagnetic response in a strongly underdoped model cuprate superconductor

It is a distinct possibility that spin fluctuations are the pairing interactions in numerous unconventional superconductors. In the high-transition-temperature (high-T c ) cuprates, superconductivity emerges upon doping antiferromagnetic Mott insulators, and spin fluctuations might furthermore drive unusual pseudogap phenomena. Here we use magnetic neutron scattering to study the highly underdoped cuprate HgBa 2 CuO 4+δ (hole concentration p ≈ 0.064). In contrast to prior results for other underdoped cuprates, we find no evidence of incommensurate magnetic order associated with spin-density-wave or stripe correlations. Instead, the antiferromagnetic response in both the superconducting and pseudogap states is gapped below Δ AF ≈ 6 meV, commensurate over a wide energy range, and disperses above about 55 meV. Given the pristine nature of HgBa 2 CuO 4+δ , which exhibits high structural symmetry and minimal point disorder effects, this behavior likely signifies the unmasked response of the underlying CuO 2 planes near the Mott-insulating state. These results serve as a benchmark for a refined theoretical understanding of the cuprates.

Materials science↗