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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Time-resolved magneto-optical effects in the altermagnet candidate MnTe

α -MnTe is an antiferromagnetic semiconductor with above room temperature T N = 310 K, which is promising for spintronic applications. Recently, it was reported to be an altermagnet, containing bands with momentum-dependent spin splitting; time-resolved experimental probes of MnTe are, therefore, important both for understanding novel magnetic properties and potential device applications. Here, we investigate ultrafast spin dynamics in epitaxial MnTe(001)/InP(111) thin films using pump-probe magneto-optical measurements in the Kerr configuration. At room temperature, we observe an oscillation mode at 55 GHz that does not appear at zero magnetic field. Combining field and polarization dependence, we identify this mode as a magnon, likely originating from inverse stimulated Raman scattering. Magnetic field-dependent oscillations persist up to at least 335 K, which could reflect coupling to known short-range magnetic order in MnTe above T N . Additionally, we observe two optical phonons at 3.6 and 4.2 THz, which broaden and redshift with increasing temperature.

Gray, Isaiah↗
DOE OSTI2023

g-factor engineering with InAsSb alloys toward zero band gap limit

Band gap is known as an effective parameter for tuning the Landé g factor in semiconductors and can be manipulated in a wide range through the bowing effect in ternary alloys. In this work, using the recently developed virtual substrate technique, high-quality InAsSb alloys throughout the whole Sb composition range are fabricated and a large g factor of g≈-90 at the minimum band gap of ~0.1 eV, which is almost twice that in bulk InSb, is found. Further analysis to the zero gap limit reveals a possible gigantic g factor of g≈-200 with a peculiar relativistic Zeeman effect that disperses as the square root of magnetic field. Such a g-factor enhancement toward the narrow gap limit cannot be quantitatively described by the conventional Roth formula, as the orbital interaction effect between the nearly triply degenerated bands becomes the dominant source for the Zeeman splitting. These results may provide insights into realizing large g factors and spin-polarized states in semiconductors and topological materials.

36 MATERIALS SCIENCE↗
NASA NTRS1979

A compressible solution of the Navier-Stokes equations for turbulent flow about an airfoil

A compressible time dependent solution of the Navier-Stokes equations including a transition turbulence model is obtained for the isolated airfoil flow field problem. The equations are solved by a consistently split linearized block implicit scheme. A nonorthogonal body-fitted coordinate system is used which has maximum resolution near the airfoil surface and in the region of the airfoil leading edge. The transition turbulence model is based upon the turbulence kinetic energy equation and predicts regions of laminar, transitional, and turbulent flow. Mean flow field and turbulence field results are presented for an NACA 0012 airfoil at zero and nonzero incidence angles of Reynolds number up to one million and low subsonic Mach numbers.

Shamroth, S. J.↗
DOE OSTI2022

A Mountaintop View Requires Minimal Sorting: A Faster Contour Tree Algorithm

Consider a scalar field f : M → R, where M is a triangulated simplicial mesh in R d . A level set, or contour, at value v is a connected component of f –1 (v). As v is changed, these contours change topology, merge into each other, or split. Contour trees are concise representations of f that track this contour behavior. The vertices of these trees are the critical points of f, where the gradient is zero. The edges represent changes in the topology of contours. It is a fundamental data structure in data analysis and visualization, and there is significant previous work (both theoretical and practical) on algorithms for constructing contour trees. Suppose M has n vertices, N facets, and t critical points. A classic result of Carr, Snoeyink, and Axen (2000) gives an algorithm that takes O(n log n+Nα(N)) time (where α(·) is the inverse Ackermann function). A further improvement to O(t log t + N) time was given by Chiang et al. All these algorithms involve a global sort of the critical points, a significant computational bottleneck. Unfortunately, lower bounds of Ω(t log t) also exist. We present the first algorithm that can avoid the global sort and has a refined time complexity that depends on the contour tree structure. Intuitively, if the tree is short and fat, we get significant improvements in running time. For a partition of the contour tree into a set of descending paths, P, our algorithm runs in O($\Sigma$ pϵP |p| log |p| + tα(t) + N). This is at most O(t log D + N), where D is the diameter of the contour tree. Moreover, it is O(tα(t) + N) for balanced trees, a significant improvement over the previous complexity. Our algorithm requires numerous ideas: partitioning the contour tree into join and split trees, a local growing procedure to iteratively build contour trees, and the use of heavy path decompositions for the time complexity analysis. There is a crucial use of a family of binomial heaps to maintain priorities, ensuring that any comparison made is between comparable nodes of the contour tree. We also prove lower bounds showing that the $\Sigma$ pϵP |p| log |p| complexity is inherent to computing contour trees.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1979

The prediction of the turbulent flow field about an isolated airfoil

A compressible time-dependent solution of the Navier-Stokes equations including a transition-turbulence model is obtained for the isolated airfoil flow field problem. The equations are solved by a consistently split linearized block implicit scheme due to Briley and McDonald. A nonorthogonal body fitted coordinate system is used which has maximum resolution near the airfoil surface and in the region of the airfoil leading edge. The transition-turbulence model is based upon the turbulence kinetic energy equation and predicts regions of laminar, transitional and turbulent flow. Mean flow field and turbulence field results are presented for an NACA 0012 airfoil at zero and nonzero incidence angles at Reynolds number up to one million and low subsonic Mach numbers.

Shamroth, S. J.↗
DOE OSTI2020

Landau level of fragile topology

Here, we study the Hofstadter butterfly and Landau levels of the twisted bilayer graphene (TBG). We show that the nontrivial fragile topology of the lowest two bands near the charge neutral point makes their Hofstadter butterfly generically connected with higher bands, closing the gap between the first and second conduction (valence) bands at a certain magnetic flux per unit cell. We also develop a momentum space method for calculating the TBG Hofstadter butterfly, from which we identify three phases where the Hofstadter butterflies of the lowest two bands and the higher bands are connected in different ways. We show this leads to a crossing between the $\textit{ν}$ = 4 Landau fan from the charge neutral point and the zero-field band gap at one flux per moiré unit cell, which corresponds to a magnetic field 25$θ^2$ T (twist angle $\textit{θ}$ in degrees). This provides an experimentally testable feature of the fragile topology. In general, we expect it to be a generic feature that the Hofstadter butterfly of the topological bands are connected with the Hofstadter spectra of other bands. We further show the TBG band theory with Zeeman splitting being the most sizable splitting could result in Landau fans at the charge neutral point and half fillings near the magic angle, and we predict their variations under an in-plane magnetic field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Evolution of the nuclear spin-orbit splitting explored via the 32 Si( d,p ) 33 Si reaction using SOLARIS

The spin-orbit splitting between neutron 1p orbitals at 33 Si has been deduced using the single-neutron-adding (d,p) reaction in inverse kinematics with a beam of 32 Si, a long-lived radioisotope. Reaction products were analyzed by the newly implemented SOLARIS spectrometer at the reaccelerated-beam facility at the National Superconducting Cyclotron Laboratory. The measurements show reasonable agreement with shell-model calculations that incorporate modern cross-shell interactions, but they contradict the prediction of proton density depletion based on relativistic mean-field theory. The evolution of the neutron 1p-shell orbitals is systematically studied using the present and existing data in the isotonic chains of N = 17, 19, and 21. In each case, a smooth decrease in the separation of the 1p 3/2 - 1p 1/2 orbitals is seen as the respective p-orbitals approach zero binding, suggesting that the finite nuclear potential strongly influences the evolution of nuclear structure in this region.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1983

Fracture behavior of hybrid composite laminates

The tensile fracture behavior of 15 center-notched hybrid laminates was studied. Three basic laminate groups were tested: (1) a baseline group with graphite/epoxy plies, (2) a group with the same stacking sequence but where the zero-deg plies were one or two plies of S-glass or Kevlar, and (3) a group with graphite plies but where the zero-deg plies were sandwiched between layers of perforated Mylar. Specimens were loaded linearly with time; load, far field strain, and crack opening displacement (COD) were monitored. The loading was stopped periodically and the notched region was radiographed to reveal the extent and type of damage (failure progression). Results of the tests showed that the hybrid laminates had higher fracture toughnesses than comparable all-graphite laminates. The higher fracture toughness was due primarily to the larger damage region at the ends of the slit; delamination and splitting lowered the stress concentration in the primary load-carrying plies. A linear elastic fracture analysis, which ignored delamination and splitting, underestimated the fracture toughness. For almost all of the laminates, the tests showed that the fracture toughness increased with crack length. The size of the damage region at the ends of the slit and COD measurements also increased with crack length.

Kennedy, J. M.↗
DOE OSTI2022

Nonequilibrium spintronic transport through Kondo impurities

In this work we analyze the nonequilibrium transport through a quantum impurity (quantum dot or molecule) attached to ferromagnetic leads by using a hybrid numerical renormalization group–time-dependent density matrix renormalization group thermofield quench approach. For this, we study the bias dependence of the differential conductance through the system, which shows a finite zero-bias peak, characteristic of the Kondo resonance and reminiscent of the equilibrium local density of states. In the nonequilibrium settings, the resonance in the differential conductance is also found to decrease with increasing the lead spin polarization. The latter induces an effective exchange field that lifts the spin degeneracy of the dot level. Therefore, as we demonstrate, the Kondo resonance can be restored by counteracting the exchange field with a finite external magnetic field applied to the system. Lastly, we investigate the influence of temperature on the nonequilibrium conductance, focusing on the split Kondo resonance. Our work thus provides an accurate quantitative description of the spin-resolved transport properties relevant for quantum dots and molecules embedded in magnetic tunnel junctions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Orbital-spin locking and its optical signatures in altermagnets

Altermagnets, magnetic materials with zero magnetization and spin-split band structure, have gained tremendous attention recently for their rich physics and potential applications. Here, we report on a microscopic tight-binding model that unveils a unique coupling between orbitals and spins in d-wave altermagnets, which gives rise to momentum-dependent and spin-selective optical absorption. This coupling promotes the controlled optical excitation of up or down spins depending on the polarization direction of linearly polarized light. Such an effect originates from the coupling of orbitals to the sublattice degree of freedom through the crystal field, which is then coupled to spins through the antiferromagnetic interaction. Our crystal field analysis, which is general to any type of altermagnet, helps understand the onset of altermagnetism from a microscopic point of view, and we use our results to propose clear magneto-optical signatures of our predictions. Our findings shine light on the interplay between orbitals and spins in altermagnets, thus paving the way towards novel orbitronic and optospintronic devices.

Vila, Marc↗
DOE OSTI2021

Spin splitting of dopant edge state in magnetic zigzag graphene nanoribbons

Spin-ordered electronic states in hydrogen-terminated zigzag nanographene give rise to magnetic quantum phenomena that have sparked renewed interest in carbon-based spintronics. Zigzag graphene nanoribbons (ZGNRs)-quasi one-dimensional semiconducting strips of graphene bounded by parallel zigzag edges-host intrinsic electronic edge states that are ferromagnetically ordered along the edges of the ribbon and antiferromagnetically coupled across its width. Despite recent advances in the bottom-up synthesis of GNRs featuring symmetry protected topological phases and even metallic zero mode bands, the unique magnetic edge structure of ZGNRs has long been obscured from direct observation by a strong hybridization of the zigzag edge states with the surface states of the underlying support. Here, we present a general technique to thermodynamically stabilize and electronically decouple the highly reactive spin-polarized edge states by introducing a superlattice of substitutional N-atom dopants along the edges of a ZGNR. First-principles GW calculations and scanning tunnelling spectroscopy reveal a giant spin splitting of low-lying nitrogen lone-pair flat bands by an exchange field (~850 tesla) induced by the ferromagnetically ordered edge states of ZGNRs. Finally, our findings directly corroborate the nature of the predicted emergent magnetic order in ZGNRs and provide a robust platform for their exploration and functional integration into nanoscale sensing and logic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Mott transition and correlation effects on strictly localized states in an octagonal quasicrystal

Flat-band systems have attracted significant attention as platforms for studying strongly correlated electron physics, where the dominance of electron-electron interactions over kinetic energy gives rise to a variety of emergent phenomena. Quasicrystals are compelling systems for studying these phenomena as they host degenerate strictly localized states at zero energy due to perfect destructive interference patterns. In this study, we use the slave-rotor mean-field approach to investigate the effects of electron interactions within the Hubbard model on the Ammann-Beenker quasicrystal. The phase diagram characterizing metallic and Mott insulator regions indicates a first-order phase transition. Our analysis shows that the local coordination number affects the local quasiparticle weight, displaying varying metallicity across the sites. Furthermore, we focus on the strictly localized states that arise in the noninteracting limit. We find that interactions and deviation from particle-hole symmetry induce spectral splitting, broadening, and partial delocalization of the localized states, depending on the local environment. In particular, certain localized states with higher coordination numbers remain more robust compared to others. Finally, our results highlight the critical role of local geometry in shaping correlation effects in flat-band quasicrystals.

Mott insulators↗
NASA NTRS1988

Comparison of flux-vector and flux-difference splitting techniques for hypersonic flow

Some numerical aspects of flux-vector splitting (FVS) and flux-difference splitting (FDS) schemes are investigated to determine the accuracy for the shock and expansion waves in hypersonic blunt body flow fields. The analysis includes the implementation of Steger-Warming's three-component FVS (Reklis and Thomas, 1981), van Leer's (1986) FVS, and Yang's (1985) FDS to the right-hand side of a time marching scheme where the left-hand side is a variant of the incremental line Gauss-Seidel scheme. Numerous computations are performed by blending two simple flux limiters to test the various schemes on a generic aerobrake at M(infinity) = 10 and zero angle of attack. It is found that the flux limiter plays a very important role in the accuracy of shock capturing. The steady state results are compared to those of a shock-fitting scheme and advantages and disadvantages of each scheme are discussed briefly.

Wey, T. C.↗
NASA NTRS1990

Studies of iron impurities in YxPr1-xBa2Cu3O7-delta

Pr is the only rare earth which, when substituted for Y in YBa2Cu3O7, significantly alters the superconducting transition temperature T(sub c) without changing the crystal structure. For YxPr1-xBa2Cu3O7-delta with delta approx. equal to 0, T(sub c) is reduced rapidly as x is increased, reaching zero for x about 0.5. For x above 0.5 the compound is antiferromagnetic with a Neel temperature that increases with increasing x, rising to above room temperature for x near 1. A similar behavior is observed when the oxygen deficit delta is increased from zero to 1 with x=0. For the case of Pr substitution, the drop in T(sub c) is believed due to magnetic interactions. For the case of varying delta with x=0, the drop can be attributed to a combination of magnetic interactions, band filling, and changes in crystal structure. To study these effects, the Mossbauer effect of 57 Fe atoms substituted for the Cu atoms has been observed as a function of delta, x, and temperature. The observed spectra are all well described by a two quadrupole-split pairs, a central singlet, and a six-line magnetic hyperfine field pattern. For several Pr compositions both delta and temperature were varied, and the results support the hypothesis that a magnetic interaction exists between the Fe in the Cu lattice and the substitutional Pr atoms.

Swartzendruber, L. J.↗
DOE OSTI2025

Electronic structure and exchange interactions in altermagnetic MnGeP 2 in the quasiparticle self-consistent G W approach

The quasiparticle self-consistent 𝐺⁡𝑊 method is used to study the electronic band structure, optical dielectric function, and exchange interactions in chalcopyrite, 𝐼⁢ ‾ 4 ⁢2⁢𝑑, structure MnGeP 2 . The material is found to be an antiferromagnetic semiconductor with a lowest direct gap of 2.44 eV at the Γ point and a lower indirect gap of 1.87 eV from Γ to 𝑀. The material is an altermagnet because the two magnetic atoms of opposite spin are related by a twofold rotation operation perpendicular to the main fourfold rotation inversion axis. The spin splittings along a low symmetry line like 𝑃⁢𝑁 is sizable while at k points on the diagonal mirror planes or on the twofold symmetry axes the spin splitting is zero. The exchange interactions are calculated using a linear response approach. The antiferromagnetic exchange interaction between nearest neighbors in the primitive unit cell is dominating and found to be slightly decreasing upon carrier doping but not sufficiently to change the interaction to become ferromagnetic. The bare (noninteracting) and interacting transverse spin susceptibilities, which provide interatomic site exchange interactions after averaging over the muffin-tin spheres, are calculated from the 𝐺⁡𝑊 band structure and wave functions. From these exchange interactions, the spin wave spectra are obtained along the high symmetry lines and the Néel temperature is calculated using the mean-field and Tyablikov estimations. The dielectric function and the optical absorption spectra are calculated including excitonic effects using the Bethe Salpeter equation. The exchange interactions around Mn Ge defect sites is also studied. While we find it can generate ferromagnetic interactions with neighboring spins, we did not find direct evidence of producing an overall ferromagnetic phase. First, if Mn antisites are introduced by exchanging Mn with a nearby Ge, the interactions stay largely antiferromagnetic. Second, when we add additional Mn, in other words in Mn-rich stoichiometry, the Mn Ge antisites produce a strong ferromagnetic interaction primarily with the Mn in the same basal plane but weaker ferromagnetic interaction with adjacent plane Mn. The interactions between regular lattice Mn stay antiferromagnetic as before and thus favor keeping the antiferromagnetic order along the [001] direction. Adding Mn antisites, however, does lead to a metallic band structure.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Quantum embedding study of strain- and electric-field-induced Stark effects on the NV - center in diamond

The NV - color center in diamond has been demonstrated as a powerful nanosensor for quantum metrology due to the sensitivity of its optical and spin properties to external electric, magnetic, and strain fields. In view of these applications, we use quantum embedding to derive a many-body description of strain- and electric-field-induced Stark effects on the NV - center. Here, we quantify how strain longitudinal to the axis of NV - shifts the excited states in energy, while strain with a component transverse to the NV - axis splits the degeneracies of the 3 E and 1 E states. The largest effects are for the optically relevant 3 E manifold, which splits into E x and E y with transverse strain. From these responses we extract strain susceptibilities for the E x/y states within the quasilinear regime. Additionally, we study the many-body dipole matrix elements of the NV - and find a permanent dipole 1.6 D at zero strain, which is somewhat smaller than that obtained from recent density functional theory calculations. We also determine the transition dipole between the E x and E y and how it evolves with strain.

47 OTHER INSTRUMENTATION↗
NASA NTRS1995

Reflectivity and other physicochemical properties of Mn-substituted goethites and hematites

Goethite-bearing samples with values of Mn(s) (Mn/(Mn+Fe) mole fraction) up to 0.206 were synthesized by precipitation from alkaline solution. Samples with Mn(s) less than or equal 0.061 were single-phase Mn-goethites: samples with higher Mn(s) values contained another Mn-bearing phase (probably jacobsite). Mn-hematites were prepared by dehydroxylation of corresponding Mn-goethites at 500 C. Orthorhombic a and b unit cell dimensions of Mn-goethites changed in a linear manner with Mn(s), but not at rates predicted by the Vegrad law. Hexagonal unit cell dimensions of Mn-hematites did not vary with Mn(s). Moessbauer parameters isomer shift (IS), quadrupole splitting (QS), and hyperfine field (B(sub hf)) were measured at 293 and 15 K. For all single-phase Mn-goethites and Mn-hematites (Mn(s) less than or equal 0.061), magnetic splitting was observed at both temperatures. At 293 K, small but systematic decreases in B(sub hf) were observed with increasing Mn substitution; IS and QS were not dependent on Mn(s). Mn substitution strongly lowered the Morin transition temperature of hematite. At 15 K, the Morin transition was not present for Mn(s) greater than 0.020(4). The saturation magnetization of Mn-goethites and Mn-hematites (Mn(s) less than or equal 0.061) was the expected zero (within error) for antiferromagnetic goethite and for hematites obtained from dehydroxylation of goethites. Mn-geothites with Mn(s) greater than 0.061 were magnetic because of the presence of strongly magnetic jacobsite. For reflectivity spectra, bands resulting from MN(3+) were centered near 454 and 596 nm for Mn-goethites and near 545 and 700 nm for Mn-hematites. There is evidence for a approximately 700 nm band in spectral data for Martian bright regions, but association of it with Mn(3+) is not a unique interpretation. Comparison of laboratory and Martian spectral data implies that Mn(s) less than 0.032 for the Mn(3+) content of Martian hematites.

Vempati, R. K.↗
DOE OSTI2026

Majorana Edge Modes in Isolated Wires

Topological superconductors are believed to host exotic quasiparticle excitations known as Majorana zero modes (MZMs), with much of the evidence based on BCS mean-field theory. The direct application of mean-field arguments is tenuous in finite, isolated systems relevant in some experiments. Here, we develop a new correlation-based method for identifying MZMs in interacting, number-conserving systems. Using the density matrix renormalization group, we study fermion number-conserving models with long-range interactions, which under periodic boundary conditions exhibit robust topological and nontopological superconductivity, tuned by the strength of interaction [Ortiz et al., Phys. Rev. Lett. 113, 267002 (2014)]. We find evidence that, on the topological side, Majorana edge modes appear in open chains, manifesting as the vanishing of the energy splitting between odd- and even-parity ground states with increasing system size. Additionally, off-diagonal two-point correlation functions show nonlocal, parity-dependent edge effects. These correlations reveal the spatial structure of Majorana modes in the many-body wave function. We show that the correlation diagnostic applies broadly, including to short-range interacting models, where topological superconductivity is more fragile due to the absence of a bulk excitation gap.

Thomas-Markarian, Jaden↗