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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 OSTI2026

Astigmatism-free 3D optical tweezer control for rapid atom rearrangement

Reconfigurable neutral-atom arrays are a promising platform for quantum computing, quantum simulation, and quantum metrology, but atom transport using frequency-chirped acousto-optic deflectors (AODs) is limited by chirp-induced acoustic lensing and trajectory distortion. We address these limitations using a three-dimensional acousto-optic deflector lens (3D-AODL), a design predicted to reduce long-range transport times by more than a factor of two. We further introduce fading-Shepard waveforms that circumvent finite AOD bandwidth, enabling sustained axial displacement. We demonstrate unrestricted three-dimensional optical-tweezer motion over a 200 μm × 200 μm × 136 μm volume with velocities exceeding 4.2 m/s. Arbitrary three-dimensional control of optical-tweezer trajectories enables rapid atom rearrangement and dynamical engineering of optical potentials in tweezer arrays and optical lattices. This capability advances quantum control and atom manipulation in neutral-atom quantum processors by enabling faster rearrangement, higher clock rates, and scalable sorting in complex geometries.

Lu, Yue-Hui [University of California, Berkeley, C↗
DOE OSTI2021

Visible-Light-Enhanced Cobalt-Catalyzed Hydrogenation: Switchable Catalysis Enabled by Divergence between Thermal and Photochemical Pathways

The catalytic hydrogenation activity of the readily-prepared, coordinatively saturated cobalt(I) precatalyst, (R,R)-( iPr DuPhos)Co(CO) 2 H ((R,R)- iPr DuPhos = (+)-1,2-bis[(2R,5R)-2,5-diisopropylphospholano]benzene) is described. While efficient turnover was observed with a range of alkenes upon heating to 100 ºC, the catalytic performance of the cobalt catalyst was markedly enhanced upon irradiation with blue light at 35 °C. Here, this improved reactivity enabled hydrogenation of terminal, di- and trisubstituted alkenes, alkynes, and carbonyl compounds. A combination of deuterium labeling studies, hydrogenation of alkenes containing radical clocks and experiments probing relative rates support a hydrogen atom transfer pathway under thermal conditions that is enabled by a relatively weak cobalt–hydrogen bond of 56 kcal/mol. In contrast, data for the photocatalytic reactions support light-induced dissociation of a carbonyl ligand followed by a coordination-insertion sequence where the product is released by combination of a cobalt alkyl intermediate with the starting hy-dride, (R,R)-( iPr DuPhos)Co(CO) 2 H. These results demonstrate the versatility with catalysis with Earth-abundant metals as pathways involving open- versus closed-shell intermediates can be switched by the energy source.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Quantum networks with neutral atom processing nodes

Abstract Quantum networks providing shared entanglement over a mesh of quantum nodes will revolutionize the field of quantum information science by offering novel applications in quantum computation, enhanced precision in networks of sensors and clocks, and efficient quantum communication over large distances. Recent experimental progress with individual neutral atoms demonstrates a high potential for implementing the crucial components of such networks. We highlight latest developments and near-term prospects on how arrays of individually controlled neutral atoms are suited for both efficient remote entanglement generation and large-scale quantum information processing, thereby providing the necessary features for sharing high-fidelity and error-corrected multi-qubit entangled states between the nodes. We describe both the functionality requirements and several examples for advanced, large-scale quantum networks composed of neutral atom processing nodes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Massively parallel GPU enabled third-order cluster perturbation excitation energies for cost-effective large scale excitation energy calculations

We present here a massively parallel implementation of the recently developed CPS(D-3) excitation energy model that is based on cluster perturbation theory. The new algorithm extends the one developed in Baudin et al. [J. Chem. Phys., 150, 134110 (2019)] to leverage multiple nodes and utilize graphical processing units for the acceleration of heavy tensor contractions. Furthermore, we show that the extended algorithm scales efficiently with increasing amounts of computational resources and that the developed code enables CPS(D-3) excitation energy calculations on large molecular systems with a low time-to-solution. More specifically, calculations on systems with over 100 atoms and 1000 basis functions are possible in a few hours of wall clock time. This establishes CPS(D-3) excitation energies as a computationally efficient alternative to those obtained from the coupled-cluster singles and doubles model.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2023

High-fidelity imaging of a band insulator in a three-dimensional optical lattice clock

Here, we report on the observation of a high-density, band insulating state in a three-dimensional optical lattice clock. Filled with a nuclear-spin-polarized degenerate Fermi gas of 87 Sr, the three-dimensional (3D) lattice has one atom per site in the ground motional state, thus guarding against frequency shifts due to contact interactions. At this high density where the average distance between atoms is comparable to the probe wavelength, conventional imaging techniques at saturation intensity suffer from large systematic errors. To spatially probe frequency shifts in the clock and measure thermodynamic properties of this system, accurate imaging techniques at high optical depths are required. Using a combination of highly saturated fluorescence and absorption imaging, we confirm the density distribution in our 3D optical lattice in agreement with a single spin band insulating state. Combining our clock platform with this high filling fraction opens the door to studying new classes of long-lived, many-body states arising from dipolar interactions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

High-fidelity entanglement and coherent multi-qubit mapping in an atom array

Neutral atoms in optical tweezer arrays possess broad applicability for quantum technologies, such as computing, analogue simulation and metrology. The atomic species ytterbium-171 is able to host multiple types of qubits, making it a strong candidate for bridging various applications of tweezer arrays. Realizing this potential requires high-fidelity generation and transfer of many-body entanglement between these distinct qubit degrees of freedom. Here, in this study, we demonstrate the creation and coherent mapping of entangled quantum states across multiple qubits in ytterbium-171 tweezer arrays. We map entangled states onto the optical clock qubit from the nuclear spin qubit or the Rydberg qubit. We coherently transfer Z 2 -ordered Greenberger–Horne–Zeilinger states of up to 20 atoms from the interacting Rydberg manifold to the metastable nuclear spin manifold. Furthermore, we find that clock-qubit-based spin detection, when applied to Rydberg and nuclear spin qubits, facilitates atom-loss-detectable qubit measurements and Rydberg decay detection. This enables delayed-erasure detection, yielding an error-detected two-qubit gate fidelity of 99.78(4)% in metastable qubits. These results establish a versatile architecture that advances multiple fields of quantum information science while also establishing bridges between them.

Senoo, Aruku [University of Colorado, Boulder, CO ↗
DOE OSTI2025

Photonics Breakthroughs 2024: Narrow-Linewidth Lasers in the Visible and Near-Infrared

Narrow-linewidth lasers enable a variety of high-precision applications, such as sensing, optical clocks, and microwave frequency generation. Advances in photonic integration in the last decade led to the development of ultra-low-noise integrated semiconductor lasers, mostly in the telecom wavelength range. In recent years, the demand for high-performance lasers at shorter wavelengths skyrocketed, driven by applications in sensing and atom trapping. Low-noise lasers are of particular importance in this spectral range, as they are essential for optical clocks. Here, we will review recent progress in narrow-linewidth lasers at shorter wavelengths, present results on a hybrid-integrated low-noise laser at 780 nm and discuss the perspectives and challenges of high-performance semiconductor lasers in the visible and near-infrared.

Prokoshin, Artem [King Abdullah University of Scie↗
DOE OSTI2020

Transverse-Field Ising Dynamics in a Rydberg-Dressed Atomic Gas

Here, we report on the realization of long-range Ising interactions in a cold gas of cesium atoms by Rydberg dressing. The interactions are enhanced by coupling to Rydberg states in the vicinity of a Förster resonance. We characterize the interactions by measuring the mean-field shift of the clock transition via Ramsey spectroscopy, observing one-axis twisting dynamics. We furthermore emulate a transverse-field Ising model by periodic application of a microwave field and detect dynamical signatures of the paramagnetic-ferromagnetic phase transition. Our results highlight the power of optical addressing for achieving local and dynamical control of interactions, enabling prospects ranging from investigating Floquet quantum criticality to producing tunable-range spin squeezing.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2026

Speedup of UEDGE Parameter Scans Using Machine-Learning Optimized OpenMP Parallelization and a Continuation Solver

This article presents the OpenMP parallelization of the preconditioning Jacobian assembly and right‐hand side residual evaluation in UEDGE. A continuation algorithm, utilizing the internal NKSOL implicit Jacobian‐Free Newton‐Krylov solver to efficiently scan physical parameters, is also presented. The implemented parallelization reduces the computational time for a benchmark scan run on 32 threads by compared to the serial version when using trained random forest regression models to identify the optimal decomposition of the system of equations. Random forest regression models applied to the UEDGE time‐dependent and continuation solver algorithms did not yield meaningful improvement in computational performance. A benchmark DIII‐D gas injection rate scan in the 0.35–0.75 kA interval, performed on a test cluster using the parallelized code and continuation solver, produced 1066 steady‐state solutions with a 22 s average wall‐clock computational time per steady‐state solution.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Classical analog of quantum models in synthetic dimensions

We introduce a classical analog of quantum matter in ultracold molecule-synthetic or Rydberg atom-synthetic dimensions, by extending the Potts model to include interactions J 1 between atoms adjacent in both real and synthetic space and studying its finite-temperature properties. For intermediate values of J 1 , the resulting phases and phase diagrams are similar to those of the clock and Villain models, in which three phases emerge. There exists a sheet phase analogous to that found in quantum synthetic dimension models between the high-temperature disordered phase and the low-temperature ferromagnetic phase. Furthermore, we also employ machine learning to uncover nontrivial features of the phase diagram using the learning by confusion approach, which is able to discern several successive phase transitions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Electron-ion coincidence measurements of molecular dynamics with intense X-ray pulses

Molecules can sequentially absorb multiple photons when irradiated by an intense X-ray pulse from a free-electron laser. If the time delay between two photoabsorption events can be determined, this enables pump-probe experiments with a single X-ray pulse, where the absorption of the first photon induces electronic and nuclear dynamics that are probed by the absorption of the second photon. Here we show a realization of such a single-pulse X-ray pump-probe scheme on N 2 molecules, using the X-ray induced dissociation process as an internal clock that is read out via coincident detection of photoelectrons and fragment ions. By coincidence analysis of the kinetic energies of the ionic fragments and photoelectrons, the transition from a bound molecular dication to two isolated atomic ions is observed through the energy shift of the inner-shell electrons. Via ab-initio simulations, we are able to map characteristic features in the kinetic energy release and photoelectron spectrum to specific delay times between photoabsorptions. In contrast to previous studies where nuclear motions were typically revealed by measuring ion kinetics, our work shows that inner-shell photoelectron energies can also be sensitive probes of nuclear dynamics, which adds one more dimension to the study of light-matter interactions with X-ray pulses.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

High-fidelity trapped-ion qubit operations with scalable photonic modulators

Abstract Experiments with trapped ions and neutral atoms typically employ optical modulators in order to control the phase, frequency, and amplitude of light directed to individual atoms. These elements are expensive, bulky, consume substantial power, and often rely on free-space I/O channels, all of which pose scaling challenges. To support many-ion systems like trapped-ion quantum computers or miniaturized deployable devices like clocks and sensors, these elements must ultimately be microfabricated, ideally monolithically with the trap to avoid losses associated with optical coupling between physically separate components. In this work we design, fabricate, and test an optical modulator capable of monolithic integration with a surface-electrode ion trap. These devices consist of piezo-optomechanical photonic integrated circuits configured as multi-stage Mach-Zehnder modulators that are used to control the intensity of light delivered to a single trapped ion on a separate chip. We use quantum tomography employing hundreds of multi-gate sequences to enhance the sensitivity of the fidelity to the types and magnitudes of gate errors relevant to quantum computing and better characterize the performance of the modulators, ultimately measuring single qubit gate fidelities that exceed 99.7%.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Do atoms age?

Time evolution generically entangles a quantum state with environmental degrees of freedom. The resulting increase in entropy changes the properties of that quantum system leading to “aging”. It is interesting to ask if this familiar property also applies to simple, single particle quantum systems such as the decay of a radioactive particle. We propose a test of such aging in an ion clock setup where we probe for temporal changes to the energies of the electronic state of an ion containing a radioactive nucleus. Such effects are absent in standard quantum mechanics and this test is thus a potent null test for violations of quantum mechanics. As a proof of principle, we show that these effects exist in causal non-linear modifications of quantum mechanics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

High-Power Clock Laser Spectrally Tailored for High-Fidelity Quantum State Engineering

Highly frequency-stable lasers are ubiquitous tools for optical-frequency metrology, precision interferometry, and quantum information science. While making a universally applicable laser is unrealistic, spectral noise can be tailored for specific applications. Here we report a high-power 698-nm clock laser with a maximum output of 4W and minimized frequency noise up to a few kHz Fourier frequency, together with long-term instability of 3.5 × 10 −17 at one to thousands of seconds. The laser-frequency noise is precisely characterized with atom-based spectral analysis that employs a pulse sequence designed to suppress sensitivity to intensity noise. This method provides universally applicable tunability of the spectral response and analysis of quantum sensors over a wide frequency range. With the optimized laser system characterized by this technique, we achieve an average single-qubit Clifford gate fidelity of up to 𝐹$^2_1$ = 0.999⁢64⁢(3) when simultaneously driving 3000 optical qubits with a homogeneous Rabi frequency ranging from 10 Hz to 1 kHz. This result represents the highest single optical-qubit-gate fidelity for a large number of atoms.

atomic gases↗
DOE OSTI2024

Entangling quantum logic gates in neutral atoms via the microwave-driven spin-flip blockade

The Rydberg dipole blockade has emerged as the standard mechanism to induce entanglement between neutral-atom qubits. In these protocols, laser fields that couple qubit states to Rydberg states are modulated to implement entangling gates. Here, in this study, we present an alternative protocol to implement entangling gates via Rydberg dressing and a microwave-field-driven spin-flip blockade. We consider the specific example of qubits encoded in the clock states of cesium. An auxiliary hyperfine state is optically dressed so that it acquires partial Rydberg character. It thus acts as a proxy Rydberg state, with a nonlinear light shift that plays the role of blockade strength. A microwave-frequency field coupling a qubit state to this dressed auxiliary state can be modulated to implement entangling gates. Logic gate protocols designed for the optical regime can be imported to this microwave regime, for which experimental control methods are more robust. We show that unlike the strong dipole-blockade regime usually employed in Rydberg experiments, going to a moderate-spin-flip-blockade regime results in faster gates and smaller Rydberg decay. We study various regimes of operations that can yield high-fidelity two-qubit entangling gates and characterize their analytical behavior. In addition to the inherent robustness of microwave control, we can design these gates to be more robust to laser amplitude and frequency noises at the cost of a small increase in Rydberg decay.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Structural evidence for intermediates during O 2 formation in photosystem II

In natural photosynthesis, the light-driven splitting of water into electrons, protons and molecular oxygen forms the first step of the solar-to-chemical energy conversion process. The reaction takes place in photosystem II, where the Mn 4 CaO 5 cluster first stores four oxidizing equivalents, the S 0 to S 4 intermediate states in the Kok cycle, sequentially generated by photochemical charge separations in the reaction center and then catalyzes the O–O bond formation chemistry. Here, we report room temperature snapshots by serial femtosecond X-ray crystallography to provide structural insights into the final reaction step of Kok’s photosynthetic water oxidation cycle, the S 3 →[S 4 ]→S 0 transition where O 2 is formed and Kok’s water oxidation clock is reset. Our data reveal a complex sequence of events, which occur over micro- to milliseconds, comprising changes at the Mn 4 CaO 5 cluster, its ligands and water pathways as well as controlled proton release through the hydrogen-bonding network of the Cl1 channel. Importantly, the extra O atom O x , which was introduced as a bridging ligand between Ca and Mn1 during the S 2 →S 3 transition disappears or relocates in parallel with Y z reduction starting at approximately 700 μs after the third flash. The onset of O 2 evolution, as indicated by the shortening of the Mn1–Mn4 distance, occurs at around 1,200 μs, signifying the presence of a reduced intermediate, possibly a bound peroxide.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Compact ultrastable laser system for spectroscopy of {sup 2}S{sub 1/2} → {sup 2}D{sub 3/2} quadrupole transition in {sup 171}Yb{sup +} ion

We report the results of studying a compact laser system designed for manipulating a quantum state of the optical qubit based on the {sup 2}S{sub 1/2} → {sup 2}D{sub 3/2} quadrupole transition in the {sup 171}Yb{sup +} ion at a wavelength of 435.5 nm. An emission power of the laser system reaches 500 μW at λ = 435.5 nm and the relative frequency instability of at most 3 × 10{sup −15} is achieved at averaging intervals from 0.5 to 50 s with a subtracted linear frequency drift. The compactness of the developed system makes it possible to employ it in transportable systems including optical clocks. (laser spectroscopy)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Symmetry breaking in an extended O(2) model

Motivated by attempts to quantum simulate lattice models with continuous Abelian symmetries using discrete approximations, we study an extended-O(2) model in two dimensions that differs from the ordinary O(2) model by the addition of an explicit symmetry breaking term − h q cos ( q φ ) . Its coupling h q allows to smoothly interpolate between the O(2) model ( h q = 0 ) and a q -state clock model ( h q → ∞ ). In the latter case, a q -state clock model can also be defined for noninteger values of q . Thus, such a limit can also be considered as an analytic continuation of an ordinary q -state clock model to noninteger q . In previous work, we established the phase diagram for noninteger q in the infinite coupling limit ( h q → ∞ ). We showed that there is a second-order phase transition at low temperature and a crossover at high temperature. In this work, we seek to establish the phase diagram at finite values of the coupling using Monte Carlo and tensor methods. We show that for noninteger q , the second-order phase transition at low temperature and crossover at high temperature persist to finite coupling. For integer q = 2 , 3, 4, we know there is a second-order phase transition at infinite coupling (i.e. the well-known clock models). At finite coupling, we find that the critical exponents for q = 3 , 4 vary with the coupling, and for q = 4 the transition may turn into a Berezinskii-Kosterlitz-Thouless transition at small coupling. We comment on the similarities and differences of the phase diagrams with those of quantum simulators of the Abelian-Higgs model based on ladder-shaped arrays of Rydberg atoms. Published by the American Physical Society 2024

Astronomy & Astrophysics↗