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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

A beamline for ultrafast extreme ultraviolet magneto-optical spectroscopy in reflection near the shot noise limit

High harmonic generation (HHG) makes it possible to measure spin and charge dynamics in materials on femtosecond to attosecond timescales. However, the extreme nonlinear nature of the high harmonic process means that intensity fluctuations can limit measurement sensitivity. Here we present a noise-canceled, tabletop high harmonic beamline for time-resolved reflection mode spectroscopy of magnetic materials. We use a reference spectrometer to independently normalize the intensity fluctuations of each harmonic order and eliminate long term drift, allowing us to make spectroscopic measurements near the shot noise limit. Here, these improvements allow us to significantly reduce the integration time required for high signal-to-noise (SNR) measurements of element-specific spin dynamics. Looking forward, improvements in the HHG flux, optical coatings, and grating design can further reduce the acquisition time for high SNR measurements by 1–2 orders of magnitude, enabling dramatically improved sensitivity to spin, charge, and phonon dynamics in magnetic materials.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

Correlated Noise Estimation with Quantum Sensor Networks

We address the metrological problem of estimating collective stochastic properties imprinted on a network of quantum sensors. Canonical examples include center-of-mass quadrature fluctuations in a system of bosonic modes and correlated dephasing in an ensemble of qubits (e.g., spins), bosons, or fermions. We develop a theoretical framework to determine the limits of correlated (weak) noise estimation with quantum sensor networks and reveal the requirements for entanglement advantage. Notably, an advantage emerges from the synergistic interplay between quantum correlations of the sensors and “classical” correlations of the noises. Here, we determine optimal entangled probe states and identify a sensing protocol—reminiscent of a many-body echo—that achieves the fundamental limits of measurement sensitivity for a broad class of problems, unveiling a route toward entanglement-enhanced metrology of correlated many-body phenomena.

Quantum metrology↗
DOE OSTI2024

Theoretical Studies of Polar Systems near Ferroelectrics Quantum Critical Points (Final Report)

The PI has studied emergent quantum phases near polar quantum critical points. A first challenge was to develop a theoretical description of the observation that many polar materials undergo classical first-order transitions while displaying quantum criticality. The possibility of novel metallic states near polar quantum critical points was then studied; identification and characterization of a non-Fermi liquid phase was made in a multiband system. In dilute quantum critical polar metals, electronic coupling to polar energy fluctuations was shown to result in attractive electron-electron interactions and to superconductivity. A spin-phonon resonance measurement in applied magnetic field was proposed to determine the magnitude of spin-orbit mediated electron-phonon coupling; furthermore in the polar phase new field-induced phonon collective modes were identified with specific signatures for experiment. In order to keep current, the PI has also worked on other types of strongly correlated problems. With experimental groups, she has developed phenomenologies to identify and explain observed dynamical critical behaviors. The PI has studied the interplay of topology, fractionalization and deconfinement in a minimalist spin model. An emergent phase transition in a 1 + 1 frustrated spin nanotube has also been identified and characterized. The PI has also begun exploring criticality out of equilibrium, characterizing rich dynamical phases associated with photoinduced polar transitions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Chemical tuning of a honeycomb magnet through a critical point

BaCo 2⁢ (AsO 4 )⁢ 2 (BCAO) has seen extensive study since its initial identification as a proximate Kitaev quantum spin liquid candidate. Thought to be described by the highly anisotropic XXZ-J 1 -J 3 model, the ease with which magnetic order is suppressed in the system indicates proximity to a spin liquid phase. Upon chemical tuning via partial arsenic substitution with vanadium, we show an initial suppression of long-range incommensurate order in the BCAO system to T ≈ 3.0 K, followed by increased spin freezing at higher substitution levels. Between these two regions, at around 10% substitution, the system is shown to pass through a critical point where the competing J 1 /J 3 exchange interactions become more balanced, producing a more complex magnetic ground state, likely stabilized by quantum fluctuations. Here, this state shows how slight compositional change in magnetically frustrated systems may be leveraged to tune ground state degeneracies and potentially realize a quantum spin liquid state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Ramification of complex magnetism in Nd 2 Ir 2 O 7 observed by Raman scattering spectroscopy

Using Raman scattering spectroscopy, we uncover a complex magnetic behavior of Nd2Ir2O7, which stands out among magnetic pyrochlores by the lowest temperature of the all-in-all-out (AIAO) Ir moments ordering (${T}_{{\rm{Ir}}}^{{\rm{N}}} = 33$ K) and the highest temperature at which AIAO order of rare-earth Nd ions is detected (${T}_{{\rm{Nd}}}^{{\rm{* }}}$ = 15 K). Detected magnetic Raman scattering and calculations of expected response allow us to demonstrate that the ordering of Ir magnetic moments is accompanied by an appearance of one-magnon Raman modes at 26.3 and 29.6 meV compatible with the AIAO order and allowing to estimate the energies of Ir-Ir interactions. An additional two-magnon excitation of the AIAO Nd order at around 33 meV appears in the spectra below the ordering temperature of Nd moments ${T}_{{\rm{Nd}}}^{{\rm{* }}}$ = 15 K. In the temperature range between 15 K and 33 K we observe a broad mode, which demonstrates strong temperature dependence and shifts on cooling below 20 K from 14 meV to higher frequencies, and disappears at 5 K, when two-magnon excitation of Nd moments becomes prominent. We suggest an interpretation of this excitation in terms of continuum arising from collective fluctuations of Nd moments above the transition. This complex behavior emerges from the interplay of strong spin-orbit coupling, electronic correlations, and geometric frustration on two magnetic pyrochlore sublattices of Nd and Ir ions.

magnetic properties and materials↗
DOE OSTI2022

Strain-tunable metamagnetic critical endpoint in Mott insulating rare-earth titanates

Rare-earth titanates are Mott insulators whose magnetic ground state—antiferromagnetic (AFM) or ferromagnetic (FM)—can be tuned by the radius of the rare-earth element. We combine phenomenology and first-principles calculations to shed light on the generic magnetic phase diagram of a chemically substituted titanate on the rare-earth site that interpolates between an AFM and a FM state. Octahedral rotations present in these perovskites cause the AFM order to acquire a small FM component—and vice-versa—removing any multicritical point from the phase diagram. However, for a wide parameter range, a first-order metamagnetic transition line terminating at a critical endpoint survives inside the magnetically ordered phase. Like the liquid-gas transition, a Widom line emerges from the endpoint, characterized by enhanced fluctuations. In contrast to metallic FMs, this metamagnetic transition involves two symmetry-equivalent and insulating canted spin states. Moreover, instead of a magnetic field, we show that uniaxial strain can be used to tune this transition to zero temperature, inducing a quantum critical endpoint.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Complex orders and chirality in the classical Kitaev-Γ model

It is well recognized that the low-energy physics of many Kitaev materials is governed by two dominant energy scales, the Ising-type Kitaev coupling 𝐾 and the symmetric off-diagonal Γ coupling. An understanding of the interplay between these two scales is therefore the natural starting point toward a quantitative description that includes subdominant perturbations that are inevitably present in real materials. This study focuses on the classical 𝐾−Γ model on the honeycomb lattice, with a specific emphasis on the region 𝐾< 0 and Γ > 0 , which is the most relevant for the available materials and which remains enigmatic in both quantum and classical limits, despite much effort. We employ large-scale Monte Carlo simulations on specially designed finite-size clusters and unravel the presence of a complex multisublattice magnetic order in a wide region of the phase diagram, whose structure is characterized in detail. We show that this order can be quantified in terms of a coarse-grained scalar-chirality order, featuring a counterrotating modulation on the two spin sublattices. Here, we also provide a comparison to previous studies and discuss the impact of quantum fluctuations on the phase diagram.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Universal coherence protection in a solid-state spin qubit

Decoherence limits the physical realization of qubits, and its mitigation is critical for the development of quantum science and technology. In this study, we construct a robust qubit embedded in a decoherence-protected subspace, obtained by applying microwave dressing to a clock transition of the ground-state electron spin of a silicon carbide divacancy defect. The qubit is universally protected from magnetic, electric, and temperature fluctuations, which account for nearly all relevant decoherence channels in the solid state. This culminates in an increase of the qubit’s inhomogeneous dephasing time by more than four orders of magnitude (to >22 milliseconds), while its Hahn-echo coherence time approaches 64 milliseconds. Requiring few key platform-independent components, this result suggests that substantial coherence improvements can be achieved in a wide selection of quantum architectures.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Local aging effects in PuB 4 : Growing inhomogeneity and slow dynamics of local field fluctuations probed by 239 Pu NMR

Plutonium-based correlated electron materials host exotic physical phenomena ranging from unconventional heavy-fermion superconductivity to topological Kondo insulating states. Self-irradiation damage can influence many properties of such radioactive materials. Structural disorder effects due to α radiation have been frequently studied using techniques such as transport, thermodynamics, and x-ray diffraction. Here, in this study, we use 239 Pu nuclear magnetic resonance (NMR) to study the long-term influence of self-damage on the lattice and local electronic structures in a single crystal of the candidate topological insulator plutonium tetraboride (PuB 4 ). We first characterize the anisotropy of the 239 Pu resonance and confirm the local axial-site symmetry inferred from previous polycrystalline measurements. Aging effects are then evaluated over the time frame of six years. We find that, though the static 239 Pu NMR spectra show a slight modulation in their shape, their field-rotation pattern reveals no change in 239 Pu local site symmetry over time, suggesting that aging has a surprisingly small impact on the spatial distribution of the static hyperfine field. Further, ligand-site 11 B NMR finds little time-dependent change in the size of electric field gradient around 11 B sites. By contrast, aging has a prominent impact on the 239 Pu NMR relaxation processes and signal intensity. Specifically, aging-induced damage manifests itself as an increase in the spin-lattice relaxation time 𝑇 1 , an increased distribution of 𝑇 1 , and a signal intensity that decreases linearly by 20% per year. An effective spin-spin relaxation time 𝑇 2,eff in the aged sample shortens drastically towards lower temperature, suggesting growth of slow fluctuations of the hyperfine field that are linked to radiation-damage-induced inhomogeneity. Our NMR study sheds light on the interplay of radiation damage and local magnetic interactions in correlated insulators.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Fluctuating hydrodynamics of chiral active fluids

Active materials are characterized by continuous injection of energy at the microscopic level and typically cannot be adequately described by equilibrium thermodynamics. Here we study a class of active fluids in which equilibrium-like properties emerge when fluctuating and activated degrees of freedom are statistically decoupled, such that their mutual information is negligible. We analyse three paradigmatic systems: chiral active fluids composed of spinning frictional particles that are free to translate, oscillating granular gases and active Brownian rollers. In all of these systems, a single effective temperature generated by activity parameterizes both the equation of state and the emergent Boltzmann statistics. The same effective temperature, renormalized by velocity correlations, relates viscosities to steady-state stress fluctuations via a Green–Kubo relation. To rationalize these observations, we develop a theory for the fluctuating hydrodynamics of these non-equilibrium fluids and validate it through large-scale molecular dynamics simulations. Our work sheds light on the microscopic origin of odd viscosities and stress fluctuations characteristic of parity-violating fluids, in which mirror symmetry and detailed balance are broken.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Ab initio description of bcc iron with correlation matrix renormalization theory

We applied the ab initio spin-polarized correlation matrix renormalization theory to the ferromagnetic state of the bulk bcc iron. We showed that it was capable of reproducing the equilibrium physical properties and the pressure-volume curve in good comparison with experiments. We then focused on the analysis of its local electronic correlations. By exploiting different local fluctuation-related physical quantities as measures of electronic correlation within target orbits, we elucidated the different roles of t 2g and e g states in both spin channels and presented compelling evidence to showcase this distinction in their electronic correlation.

3-dimensional systems↗
NASA NTRS1985

Propagation of detonations in hydrazine vapor

In the range of greater hydrazine vapor pressure, detonation speed depends exclusively on the extent of the ammonia decomposition in the second reaction stage. As vapor pressure decreases, the ammonia disintegration speed becomes increasingly slower and the reaction reached in the reaction zone increasingly decreases until finally, in the vapor pressure range between 53 and 16 Torr, the contribution of the second stage to detonation propagation disappears, and only the first stage remains active. Since the disintegration speed of the hydrazine in this pressure range has decreased markedly as well, no level, but rather only spinning, detonations occur. Temporary separations of the impact front and the reaction zone in the process lead to fluctuations of the detonation speed.

Heinrich, H. J.↗
NASA NTRS1997

Observation of a Long-Term Spin-up Trend in 4U 1538-52

The high-mass X-ray pulsar 4U 153 8-52 has been continually monitored by the Burst and Transient Source Experiment (BATSE) on Compton Gamma-Ray Observatory. These observations permit the construction of long-term pulse frequency and intensity histories. The frequency history reveals that a reversal of the long-term trend in the accretion torque, from spinning down to spinning up, has occurred, probably in 1988. This is the first time a long-term change is known to have occurred for this source, The magnitude of the average absolute value of (dot-nu / nu) is approximately 10(exp -11)/s over an interval of approximately 5 year is similar during spin-down and spin-up. Shorter term pulse frequency variations of either sign are also observed. The power density spectrum of fluctuations in angular acceleration is consistent with white noise on timescales from 16 to 1600 days. It can be well fit with a power law with a power-law index of 0.10 plus or minus 0.21 and white noise strength of (7.6 +/- 1.6) x 10(exp -21) (Hz/s(exp 2)/Hz). These observations are also used to set 95% confidence level lower and upper limits on the rate of orbital period change, -3.9< dot-P orb /P orb <2. 1, in units of 10(exp -6) yr(exp -1).

Rubin, B. C.↗
DOE OSTI2022

Magnetic impurity as a local probe of the $U(1)$ quantum spin liquid with spinon Fermi surface

We solve the problem of a magnetic impurity coupled to a U(1) quantum spin liquid with a spinon Fermi surface, and we compute the impurity spectral function. Using the slave rotor mean-field approach combined with gauge field fluctuations, we find that a peak located at the top of the lower Hubbard band and one at the bottom of the upper Hubbard band can emerge in the impurity spectral function. The peaks at the Hubbard band edges arise from the gauge field fluctuation-induced spinon-chargon binding inside the spinon Kondo screening cloud of the magnetic impurity. For a magnetic impurity embedded in a Mott insulator, our findings suggest that the emergence of a pair of peaks at the Hubbard band edges in the impurity density of states spectra provides strong evidence that the host Mott insulator is a U(1) quantum spin liquid with a spinon Fermi surface.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Quantum and classical spin dynamics across temperature scales in the S = 1 / 2 Heisenberg antiferromagnet

Using the framework of semiclassical Landau-Lifshitz dynamics (LLD), we conduct a systematic investigation of the temperature-dependent spin dynamics in the S = 1 / 2 Heisenberg square-lattice antiferromagnet (SAFM). By performing inelastic neutron scattering measurements on Zn 2 VO ( PO 4 ) 2 (ZVPO) and corresponding finite-temperature spin dynamics simulations based on LLD, we present a comprehensive analysis that bridges quantum and classical spin dynamics over a broad temperature range. First, remarkable agreement between experimental data and LLD simulations is found in the paramagnetic phase of ZVPO, demonstrating the capability of LLD in accurately determining the spin Hamiltonian of S = 1 / 2 systems and capturing the quantum-to-classical crossover of their spin dynamics. Second, by analyzing the discrepancies between the experimental data and the LLD simulations at lower temperatures, we determine the experimental temperature dependence of the quantum effects in the excitation spectrum of the S = 1 / 2 SAFM: the quantum renormalization factor for the magnon energies and the quantum continuum above the one-magnon bands. Notably, the emergence of each quantum effect is found to correlate with the formation of three-dimensional long-range order. This work demonstrates the utility of LLD in gaining experimental insights into the temperature-induced modifications of quantum spin dynamics and their convergence towards classical expectations at higher temperatures. This motivates further applications to more challenging quantum antiferromagnets dominated by stronger quantum fluctuations. Published by the American Physical Society 2024

36 MATERIALS SCIENCE↗
DOE OSTI2024

Pivotal Roles of Triple Screening-Topological, Electrostatic, and Hydrodynamic-On Dynamics in Semidilute Polyelectrolyte Solutions

For semidilute polyelectrolyte solutions, it is generally assumed that topological, electrostatic, and hydrodynamic interactions are screened (called triple screening). Despite a large body of research focused on polyelectrolyte solutions, the concept of triple screening has never been rigorously verified. In this work, we test the concept by probing concentration fluctuations in aqueous solutions containing a well-studied polyelectrolyte, sodium poly(styrenesulfonate) (NaPSS) with neutron scattering, theory, and molecular dynamics simulations. Neutron spin–echo (NSE) and small-angle neutron scattering (SANS) data from semidilute solutions of NaPSS are presented at different polymer and salt (NaCl) concentrations. A combined theory for structure (J. Chem. Phys. 105, 5183 (1996)) and dynamics (J. Chem. Phys. 107, 2619 (1997)), which captures effects of hydrodynamic, topological, and electrostatic screening, is used to interpret the experimental results. Here, the theory quantitatively predicts the decay rate obtained from the NSE measurements while capturing the shape and concentration dependencies of the polyelectrolyte peak observed in the SANS spectra. Detailed comparisons of the theory and the experiments reveal that the wavevector-dependent decay rate of concentration fluctuations in semidilute solutions of polyelectrolytes is dictated by the screening of hydrodynamic, topological, and electrostatic interactions. This conclusion is corroborated by coarse-grained molecular dynamics simulations, executed without any hydrodynamic interactions, which fail to capture the correct wavevector dependence of the decay rate. These results highlight that the theories based on the concept of triple screening provide a quantitative framework for predicting a relation between the structure and dynamics of polyelectrolyte solutions.

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

String-Breaking Dynamics in Quantum Adiabatic and Diabatic Processes

Confinement prohibits isolation of color charges, e.g., quarks, in nature via a process called string breaking : the separation of two charges results in an increase in the energy of a color flux, visualized as a string, connecting those charges. Eventually, creating additional charges is energetically favored, hence breaking the string. Such a phenomenon can be probed in simpler models, including quantum spin chains, enabling enhanced understanding of string-breaking dynamics. A challenging task is to understand how string breaking occurs as time elapses, in an out-of-equilibrium setting. This work establishes the phenomenology of dynamical string breaking induced by a gradual increase of string tension over time. It, thus, goes beyond instantaneous quench processes and enables tracking the real-time evolution of strings in a more controlled setting. We focus on domain-wall confinement in a family of quantum Ising chains. Our results indicate that, for sufficiently short strings and slow evolution, string breaking can be described by the transition dynamics of a two-state quantum system akin to a Landau-Zener process. For longer strings, a more intricate spatiotemporal pattern emerges: the string breaks by forming a superposition of bubbles (domains of flipped spins of varying sizes), which involve highly excited states. We finally demonstrate that string breaking driven only by quantum fluctuations can be realized in the presence of sufficiently long-ranged interactions. This work holds immediate relevance for studying string breaking in quantum-simulation experiments.

Ising model↗
DOE OSTI2025

Coarsening dynamics of Ising-nematic order in a frustrated Heisenberg antiferromagnet

We study the phase ordering dynamics of the classical antiferromagnetic 𝐽 1 −𝐽 2 (nearest-neighbor and next-nearest-neighbor couplings) Heisenberg model on the square lattice in the strong frustration regime (𝐽 2 /𝐽 1 > 1/2). While thermal fluctuations preclude any long-range magnetic order at finite temperatures, the system exhibits a long-range spin-driven nematic phase at low temperatures. The transition into the nematic phase is further shown to belong to the two-dimensional Ising universality class based on the critical exponents near the phase transition. Our large-scale stochastic Landau-Lifshitz-Gilbert simulations find a two-stage phase ordering when the system is quenched from a high-temperature paramagnetic state into the nematic phase. In the early stage, collinear alignments of spins lead to a locally saturated Ising-nematic order. Once domains of well-defined Ising order are developed, the late-stage relaxation is dominated by curvature-driven domain coarsening, as described by the Allen-Cahn equation. The characteristic size of Ising-nematic domains scales as the square root of time, similar to the kinetic Ising model described by the time-dependent Ginzburg-Landau theory. Our results confirm that the late-stage ordering kinetics of the spin-driven nematic, which is a vestigial order of the frustrated Heisenberg model, belongs to the dynamical universality class of a nonconserved Ising order. Interestingly, the system shows no violation of the superuniversality hypothesis under weak bond disorder. The dynamic scaling invariance is preserved in the presence of weak bond disorder. Here, we also discuss possible applications of our results to materials for which vestigial Ising-nematic order is realized.

Antiferromagnets↗