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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 37 records · Page 2

Managing autonomous materials labs with multi-agent AI and its implications for the science of science

Self-driving lab systems (aka, autonomous experimentation) accelerate research - letting scientists learn faster, spend less resources, and fail smarter in well defined, narrow studies. The next-generation materials lab combines self-driving systems to tackle broader challenges - orchestrating complex research campaigns while optimizing lab resources. We propose that agent-based and agentic artificial intelligence will be an integral part of next-generation lab management and discuss potential implementation scenarios. Additionally, digital and physical sandboxes will allow scientists to evaluate diverse and dynamic research and lab management strategies. Beyond the immediate benefit to lab optimization, such sandboxes will enable realistic computational studies of the philosophy of science (i.e., science of science) to achieve higher level scientific efficiencies.

Computer science↗

Unraveling the electronic structure and magnetic transition evolution across monolayer, bilayer, and multilayer ferromagnetic Fe 3 GeTe 2

Two-dimensional (2D) van der Waals (vdW) magnets have sparked widespread attention due to their potential in spintronic applications as well as in fundamental physics. Ferromagnetic vdW compound Fe 3 GeTe 2 (FGT) and its Ga variants have garnered significant interest due to their itinerant magnetism, correlated states, and high magnetic transition temperature. Experimental studies have demonstrated the tunability of FGT’s Curie temperature, T C , through adjustments in quintuple layer numbers (QL) and carrier concentrations, n. However, the underlying mechanism remains elusive. In this study, we employ molecular beam epitaxy (MBE) to synthesize 2D FGT films down to 1 QL with precise layer control, facilitating an exploration of the band structure and the evolution of itinerant carrier density. Angle-resolved photoemission spectroscopy (ARPES) reveals significant band structure changes at the ultra-thin limit, while first-principles calculations elucidate the band evolution from 1 QL to bulk, largely governed by interlayer coupling. Additionally, we find that n is intrinsically linked to the number of QL and temperature, with a critical value triggering the magnetic phase transition. Our findings underscore the pivotal role of band structure and itinerant electrons in governing magnetic phase transitions in such 2D vdW magnetic materials.

36 MATERIALS SCIENCE↗

Coherent phonon flatband generated in GaAs/AlAs superlattices via layer-selective optical pumping

Flatbands, characterized by their dispersionless energy levels in electronic, magnetic, and phononic systems, hold substantial potential for advancements in electronics and quantum information processing. Most flatbands exist in thermal equilibrium and cannot be easily created or annihilated externally, limiting their flexibility as switchable knobs for use in microelectronics and quantum applications. In our work, we demonstrate the generation of a coherent phonon flatband in a GaAs/AlAs superlattice using 800 nm femtosecond laser pulses. This coherent phonon flatband does not correspond to a phonon eigenmode at equilibrium and exhibits strong coupling with two branches of coherently excited longitudinal phonon modes. With molecular dynamics simulations, we show more generally that the coherent phonon flatband can be induced by coherently and spatially modulated optical excitations of superlattice structures. Our results highlight a pathway for coherent phonon flatband creation in the time domain that can be generalized to various superlattice systems, potentially inspiring the realization of coherent flatband generation of other quasiparticles.

Condensed-matter physics↗

Dynamic strength of iron under pressure-temperature conditions of Earth’s inner core

Iron (Fe) is a primary constituent of terrestrial planetary cores, yet its rheological properties under extreme conditions remain uncertain. Here we present direct measurements of Fe strength at 310-430 GPa pressures and 3700-5800 K temperatures, obtained using Rayleigh-Taylor (RT) instability experiments at the National Ignition Facility. Single-crystal α-Fe samples with [001] and [111] orientations are shock-ramp compressed past the α-ε transition along paths approaching Earth’s inner core conditions. We find that ε-Fe derived from [001] α-Fe is consistently stronger (11-20 GPa) than that from [111] α-Fe (8-18 GPa), contrary to the trend at ambient conditions. Large-scale molecular dynamics simulations reproduce this atypical strength anisotropy and attribute it to microstructural evolution during the phase transition and subsequent ε-phase plasticity. Ripple growth analysis further constrains viscosities of 100-170 Pa·s under the driven conditions. Our results provide experimental benchmarks for Fe rheology at inner-core conditions, with implications for seismic anisotropy and the geodynamo.

Condensed-matter physics↗

Purcell enhancement of directional edge photocurrent in a van der Waals self-cavity

Cavities provide a means to manipulate the optical and electronic responses of quantum materials by selectively enhancing light-matter interaction at specific frequencies and momenta. While cavities typically involve external structures, exfoliated flakes of van der Waals (vdW) materials can form intrinsic self-cavities due to their small finite dimensions, confining electromagnetic fields into plasmonic cavity modes, characterized by standing-wave current distributions. While cavity-enhanced phenomena are well-studied at optical frequencies, the impact of self-cavities on nonlinear electronic responses—such as directional photocurrent—remains largely unexplored, particularly in the terahertz regime, critical for emerging ultrafast optoelectronic technologies. Here, we report a self-cavity-induced Purcell enhancement of directional photocurrents in the vdW semimetal WTe 2 . Using ultrafast optoelectronic circuitry, we measured coherent near-field THz emission resulting from nonlinear photocurrents excited at the sample edges. We observed enhanced emission at finite frequencies, tunable via excitation fluence and sample geometry, which we attribute to plasmonic interference effects controlled by the cavity boundaries. We developed an analytical theory that captures the cavity resonance conditions and spectral response across multiple devices. Our findings establish WTe 2 as a bias-free, geometry-tunable THz emitter and demonstrate the potential of self-cavity engineering for controlling nonlinear, nonequilibrium dynamics in quantum materials.

condensed-matter physics↗

Altermagnetism classification

Altermagnets are magnetic states with fully compensated spins and broken PT (PT: parity times time reversal) symmetry (i.e., spin-split bands). We classify three kinds of altermagnets in terms of broken P and T. Furthermore, strong altermagnets have spin-split bands without spin-orbit coupling (SOC), and weak altermagnets has spin-split bands only with non-zero SOC. These strong vs. weak altermagnets can be identified from the total number of symmetric spin rotation operations.

Altermagnets↗

Symmetry-mediated quantum coherence of W 5+ spins in an oxygen-deficient double perovskite

Elucidating the factors limiting quantum coherence in real materials is essential to the development of quantum technologies. Here we report a strategic approach to determine the effect of lattice dynamics on spin coherence lifetimes using oxygen deficient double perovskites as host materials. In addition to obtaining millisecond T 1 spin-lattice lifetimes at T ~ 10 K, measurable quantum superpositions were observed up to room temperature. We determine that T 2 enhancement in Sr 2 CaWO 6-δ over previously studied Ba 2 CaWO 6-δ is caused by a dynamically-driven increase in effective site symmetry around the dominant paramagnetic site, assigned as W 5+ via electron paramagnetic resonance spectroscopy. Further, a combination of experimental and computational techniques enabled quantification of the relative strength of spin-phonon coupling of each phonon mode. This analysis demonstrates the effect of thermodynamics and site symmetry on the spin lifetimes of W 5+ paramagnetic defects, an important step in the process of reducing decoherence to produce longer-lived qubits.

36 MATERIALS SCIENCE↗

Interaction of magnetic fields with spinons in a fractionalized state

The 4d-electron trimer lattice Ba₄Nb₁₋ₓRu₃₊ₓO₁₂ exhibits either a quantum spin liquid (QSL) or a heavy-fermion strange metal (HFSM) phase, depending on Nb content. In the QSL state, itinerant spinons act as effective heat carriers, enhancing thermal conductivity. Strikingly, applying a magnetic field up to 14 T causes an abrupt, up-to-5000% increase in heat capacity below 150 mK, disrupting the linear temperature dependence typical of both phases. Meanwhile, AC susceptibility and electrical resistivity remain nearly unchanged, while thermal conductivity drops by up to 40% below 4 K. These results suggest spinons, despite being charge-neutral, are highly sensitive to magnetic fields at low temperatures. We propose that the magnetic field could induce Anderson localization of spinons, creating emergent non-magnetic two-level systems responsible for the Schottky-like anomaly in heat capacity. These findings point to a previously unexplored regime of spinon dynamics, potentially governed by field-induced localization and distinct from conventional magnetic or transport signatures.

Condensed-matter physics↗

Multi-qubit nanoscale sensing with entanglement as a resource

Nitrogen vacancy (NV) centres in diamond are widely deployed as local magnetic sensors, using single-qubit control to measure both time-averaged fields and noise with nanoscale spatial resolution. Moving beyond single qubits to multi-qubit control enables new sensing modalities such as measuring nonlocal spatiotemporal correlators or using entangled states to enhance measurement sensitivity. Here, in this work, we describe protocols for using optically unresolved NV centre pairs and nuclear spins as multi-qubit sensors for measuring correlated noise at nanometre length scales. For noninteracting NV centres, we implement a phase-cycling protocol that disambiguates magnetic correlations from variance fluctuations, leveraging the presence of a third qubit, a 13 C nucleus, to effect coherent single-NV spin flips and enable phase cycling even for co-aligned NV centres that are spectrally unresolved. For length scales around 10 nm, we create maximally entangled Bell states through dipole–dipole coupling between two NV centres and use these entangled states to directly read out the magnetic field correlation, rather than reconstructing it from independent measurements of unentangled NV centres. Importantly, this changes the scaling of sensitivity with readout noise from quadratic to linear. For conventional off-resonant readout of the NV centre spin state (for which the readout noise is roughly 30 times the quantum projection limit), this results in more than an order of magnitude improvement in sensitivity. Finally, we demonstrate methods for detecting high spatial- and temporal-resolution correlators with pairs of strongly interacting NV centres.

condensed-matter physics↗

Bottom-up fabrication of 2D Rydberg exciton arrays in cuprous oxide

Solid-state platforms provide exceptional opportunities for advancing on-chip quantum technologies by enhancing interaction strengths through coupling, scalability, and robustness. Cuprous oxide (Cu 2 O) has recently emerged as a promising medium for scalable quantum technology due to its high-lying Rydberg excitonic states, akin to those in hydrogen atoms. To harness these nonlinearities for quantum applications, the confinement dimensions must match the Rydberg blockade size, which can reach several microns in Cu 2 O. Using a CMOS-compatible growth technique, this study demonstrates the bottom-up fabrication of site-selective arrays of Cu 2 O microparticles. We observed Rydberg excitons up to the principal quantum number n = 5 within these Cu 2 O arrays on a quartz substrate and analyzed the spatial variation of their spectrum across the array, showing robustness and reproducibility on a large chip. These results lay the groundwork for the deterministic growth of Cu 2 O around photonic structures, enabling substantial light-matter interaction on integrated photonic platforms and paving the way for scalable, on-chip quantum devices.

36 MATERIALS SCIENCE↗

Observation of two cascading screening processes in an iron-based superconductor

Understanding how renormalized quasiparticles emerge in strongly correlated electron materials provides a challenge for both experiment and theory. It has been predicted that distinctive spin and orbital screening mechanisms drive this process in multiorbital materials with strong Coulomb and Hund’s interactions. Here, we provide the experimental evidence of both mechanisms from angle- resolved photoemission spectroscopy on RbFe 2 As 2 . We observe that the emergence of low-energy Fe 3d xy quasiparticles below 90K coincides with spin screening. A second process changes the spectral weight at high energies up to room temperature. Supported by theoretical calculations we attribute it to orbital screening of Fe 3d atomic excitations. These two cascading screening processes drive the temperature evolution from a bad metal to a correlated Fermi liquid.

Condensed-matter physics↗

Discovery of magnetic-field-tunable density modulations and spin tilting in a layered altermagnet

Altermagnets recently emerged as a new class of magnetic materials, arising from specific spin crystal symmetries. They exhibit a spin-polarized electronic band structure similar to ferromagnets, yet possess zero net magnetization, promising exotic properties. Here we study a layered triangular lattice altermagnet, cobalt-intercalated NbSe 2 using scanning tunneling microscopy and spectroscopy (STM/S). Spectroscopic-imaging STM and spin-polarized STM reveals emergent 2 a 0 tri-directional charge and spin density modulations on the selenium surface. Density functional theory simulations suggest these modulations reflect the underlying cobalt superstructure. We discover that an out-of-plane magnetic field tunes the modulation amplitudes and the electronic density-of-states in a manner dependent on the field direction and strength. This behavior is attributed to the field-induced tilting of cobalt spins, which can have profound implications on the electronic properties of the altermagnet. Our results provide atomic-scale insights to uncover a magnetic-field tunable altermagnetic band structure, highlight the importance of understanding spin canting in altermagnets.

condensed-matter physics↗

The role of excitation vector fields and all-polarisation state control in cavity magnonics

Recently the field of cavity magnonics, a field focused on controlling the interaction between magnons and photons confined within microwave resonators, has drawn significant attention as it offers a platform for enabling advancements in quantum- and spin-based technologies. Here, we introduce excitation vector fields, whose polarisation and profile can be easily tuned in a two-port cavity setup, thus acting as an effective experimental dial to explore the coupled dynamics of cavity magnon-polaritons. Moreover, we develop theoretical models that accurately predict and reproduce the experimental results for any polarisation state and field profile within the cavity resonator. This versatile experimental platform offers a new avenue for controlling spin-photon interactions by manipulating the polarisation of excitation fields. By introducing real-time tunable parameters that control the polarisation state, our experiment delivers a mechanism to readily control the exchange of information between hybrid systems.

condensed-matter physics↗

Quantum turbulence, superfluidity, non-Markovian dynamics, and wave function thermalization

While quantum turbulence has been addressed both experimentally (predominantly for superfluid He 4 and He 3 ) and theoretically, the dynamics of various ensembles of quantized vortices has been followed in time only until the vortices have decayed into phonons. How this “thermalization” is achieved is still an unaddressed and thus an unelucidated question. The unitary Fermi gas (UFG) is a unique quantum system, which has no classical counterpart and is of relevance to neutron stars, cold atoms, condensed-matter and nuclear many-body systems. The non-Markovian evolution of an isolated UFG is put in evidence and its entire nonequilibrium evolution can be studied theoretically within a unified theoretical framework. The initial lattice of quantum vortices and antivortices evolves through a couple of vortex tangles and excitation of Kelvin waves, where vortices cross and reconnect, until very slowly thermalization sets in. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Two-component dynamics in supercritical $\text {CO}_2$ from inelastic X-ray scattering

Supercritical fluids are characterized by unique thermodynamic properties. One of these properties is the existence of two-component dynamics that is associated with distinct low-frequency and high-frequency vibrational responses of the fluid. However, the origin of this behavior remains unknown. By combining inelastic X-ray scattering and molecular dynamics simulations, we show that this behavior can be connected to density heterogeneities arising from molecular clusters. Analyses of measurements and molecular trajectories suggest that the two-component dynamics emerges due to distinct momentum fluctuations of clustered and unbound molecules. This connection between clusters and two-component dynamics highlights the importance of molecular-structural heterogeneities in supercritical fluids, colloids, and condensed-matter systems.

biophysics↗

Two-dimensional hydrodynamic viscous electron flow in annular Corbino rings

The concept of fluidic viscosity is ubiquitous in condensed-matter systems hosting a continuum where macroscopic properties can emerge. While an important property of liquids and some solids, only recently was the viscosity of an electron shown to play a role in electronic transport experiments. In this Letter, we present nonlocal electronic transport measurements in concentric annular rings formed in high-mobility two-dimensional electron gases, and the resulting data show that viscous hydrodynamic flow can occur far away from the source-drain current region. Our conclusion of viscous electronic transport is further corroborated by simulations of the Navier-Stokes equations that are found to be in agreement with our measurements below T = 1 K . Finally, this work emphasizes the key role played by viscosity via electron-electron ( e − e ) interaction even when the electronic transport is restricted radially, and for which it should have played no major role. Published by the American Physical Society 2025

Vijayakrishnan, Sujatha (ORCID:0009000080933182)↗

Measuring the Loschmidt Amplitude for Finite-Energy Properties of the Fermi-Hubbard Model on an Ion-Trap Quantum Computer

Calculating the equilibrium properties of condensed-matter systems is one of the promising applications of near-term quantum computing. Recently, hybrid quantum-classical time-series algorithms have been proposed to efficiently extract these properties from a measurement of the Loschmidt amplitude ⟨ ψ | e − i H ^ t | ψ ⟩ from initial states | ψ ⟩ and a time evolution under the Hamiltonian H ^ up to short times t . In this work, we study the operation of this algorithm on a present-day quantum computer. Specifically, we measure the Loschmidt amplitude for the Fermi-Hubbard model on a 16 -site ladder geometry (32 orbitals) on the Quantinuum H2-1 trapped-ion device. We assess the effect of noise on the Loschmidt amplitude and implement algorithm-specific error-mitigation techniques. By using a thus-motivated error model, we numerically analyze the influence of noise on the full operation of the quantum-classical algorithm by measuring expectation values of local observables at finite energies. Finally, we estimate the resources needed for scaling up the algorithm. Published by the American Physical Society 2024

Physics↗

Theory of quantum circuits with Abelian symmetries

Quantum circuits with gates (local unitaries) respecting a global symmetry have broad applications in quantum information science and related fields, such as condensed-matter theory and quantum thermodynamics. However, despite their widespread use, fundamental properties of such circuits are not well understood. Recently, it was found that generic unitaries respecting a global symmetry cannot be realized, even approximately, using gates that respect the same symmetry. This observation raises important open questions: What unitary transformations can be realized with k -local gates that respect a global symmetry? In other words, in the presence of a global symmetry, how does the locality of interactions constrain the possible time evolution of a composite system? In this work, we address these questions for the case of Abelian (commutative) symmetries and develop constructive methods for synthesizing circuits with such symmetries. Remarkably, as a corollary, we find that, while the locality of interactions still imposes additional constraints on realizable unitaries, certain restrictions observed in the case of non-Abelian symmetries do not apply to circuits with Abelian symmetries. For instance, in circuits with a general non-Abelian symmetry such as SU ( d ) , the unitary realized in a subspace with one irreducible representation (charge) of the symmetry dictates the realized unitaries in multiple other sectors with inequivalent representations of the symmetry. Furthermore, in certain sectors, rather than all unitaries respecting the symmetry, the realizable unitaries are the symplectic or orthogonal subgroups of this group. We prove that none of these restrictions appears in the case of Abelian symmetries. This result suggests that global non-Abelian symmetries may affect the thermalization of quantum systems in ways not possible under Abelian symmetries. Published by the American Physical Society 2024

Marvian, Iman↗