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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 1,207 records · Page 67
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Hamiltonian engineering of spin-orbit–coupled fermions in a Wannier-Stark optical lattice clock

Engineering a Hamiltonian system with tunable interactions provides opportunities to optimize performance for quantum sensing and explore emerging phenomena of many-body systems. An optical lattice clock based on partially delocalized Wannier-Stark states in a gravity-tilted shallow lattice supports superior quantum coherence and adjustable interactions via spin-orbit coupling, thus presenting a powerful spin model realization. The relative strength of the on-site and off-site interactions can be tuned to achieve a zero density shift at a “magic” lattice depth. This mechanism, together with a large number of atoms, enables the demonstration of the most stable atomic clock while minimizing a key systematic uncertainty related to atomic density. Interactions can also be maximized by driving off-site Wannier-Stark transitions, realizing a ferromagnetic to paramagnetic dynamical phase transition.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Holistic energy landscape management in 2D/3D heterojunction via molecular engineering for efficient perovskite solar cells

Constructing two-dimensional (2D) perovskite atop of 3D with energy landscape management is still a challenge in perovskite photovoltaics. Here, we report a strategy through designing a series of π-conjugated organic cations to construct stable 2D perovskites and to realize delicate energy level tunability at 2D/3D heterojunctions. As a result, the hole transfer energy barriers can be reduced both at heterojunctions and within 2D structures, and the preferable work function shift reduces charge accumulation at interface. Leveraging these insights and also benefitted from the superior interface contact between conjugated cations and poly(triarylamine) (PTAA) hole transporting layer, a solar cell with power conversion efficiency of 24.6% has been achieved, which is the highest among PTAA-based n-i-p devices to the best of our knowledge. The devices exhibit greatly enhanced stability and reproducibility. This approach is generic to several hole transporting materials, offering opportunities to realize high efficiency without using the unstable Spiro-OMeTAD.

14 SOLAR ENERGY↗
DOE OSTI2024

Dynamically patterning x-ray beam by a femtosecond optical laser

Modern science and technology have greatly benefitted from our ability to precisely manipulate light waves, in both their spatial and temporal degrees of freedom. In the x-ray region, however, spatial control has been virtually static mainly due to stringent requirements for realizing high-performance optical elements. The lack of dynamic spatial control of x-ray beam has prevented researchers from realizing more sophisticated use of the wave field, which has rapidly advanced in the optical region in the past decades. In this study, we propose a practical scheme to dynamically control local x-ray reflectivity of a perfect silicon crystal by a femtosecond optical laser and demonstrate a programmable spatial x-ray modulator. Our modulator aims for spatial manipulation of the x-ray amplitude and is shown to produce arbitrary grayscale patterns with spatial frequencies up to 25 per millimeter. The proposed modulation scheme opens up a platform to enable advanced x-ray sensing and imaging techniques that can fully harness the wave nature of x-rays.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Electronic commensuration of a spin moiré superlattice in a layered magnetic semimetal

Spin moiré superlattices (SMSs) have been proposed as a magnetic analog of crystallographic moiré systems and a source of electron minibands offering vector-field moiré tunability and Berry curvature effects. However, it has proven challenging to realize an SMS in which a large exchange coupling J is transmitted between conduction electrons and localized spins. Furthermore, most systems have carrier mean free paths l mfp shorter than their spin moiré lattice constant a spin , inhibiting miniband formation. Here, we discover that the layered magnetic semimetal EuAg 4 Sb 2 overcomes these challenges by forming an interface with J ~ 100 milli–electron volts transferred between a Eu triangular lattice and anionic Ag 2 Sb bilayers hosting a two-dimensional electron band in the ballistic regime (l mfp >> a spin ). The system realizes an SMS with a spin commensurate with the Fermi momentum, leading to a marked quenching of the transport response from miniband formation. Our findings demonstrate an approach to magnetically engineering moiré superlattices and a potential route to an emergent spin-driven quantum Hall state.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Observation of topological superconductivity on the surface of an iron-based superconductor

Topological superconductors are predicted to host exotic Majorana states that obey non-Abelian statistics and can be used to implement a topological quantum computer. Most of the proposed topological superconductors are realized in difficult-to-fabricate heterostructures at very low temperatures. By using high-resolution spin-resolved and angle-resolved photoelectron spectroscopy, we find that the iron-based superconductor FeTe 1–x Se x (x = 0.45; superconducting transition temperature T c = 14.5 kelvin) hosts Dirac-cone–type spin-helical surface states at the Fermi level; the surface states exhibit an s-wave superconducting gap below T c . Thus, our study shows that the surface states of FeTe 0.55 Se 0.45 are topologically superconducting, providing a simple and possibly high-temperature platform for realizing Majorana states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Photon-mediated interactions between quantum emitters in a diamond nanocavity

Photon-mediated interactions between quantum systems are essential for realizing quantum networks and scalable quantum information processing. We demonstrate such interactions between pairs of silicon-vacancy (SiV) color centers coupled to a diamond nanophotonic cavity. When the optical transitions of the two color centers are tuned into resonance, the coupling to the common cavity mode results in a coherent interaction between them, leading to spectrally-resolved superradiant and subradiant states. We use the electronic spin degrees of freedom of the SiV centers to control these optically-mediated interactions. Such controlled interactions will be crucial in developing cavity-mediated quantum gates between spin qubits and for realizing scalable quantum network nodes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Generation of extreme-ultraviolet beams with time-varying orbital angular momentum

Light fields carrying orbital angular momentum (OAM) provide powerful capabilities for applications in optical communications, microscopy, quantum optics, and microparticle manipulation. We introduce a property of light beams, manifested as a temporal OAM variation along a pulse: the self-torque of light. Although self-torque is found in diverse physical systems (i.e., electrodynamics and general relativity), it was not realized that light could possess such a property. We demonstrate that extreme-ultraviolet self-torqued beams arise in high-harmonic generation driven by time-delayed pulses with different OAM. We monitor the self-torque of extreme-ultraviolet beams through their azimuthal frequency chirp. Lastly, this class of dynamic-OAM beams provides the ability for controlling magnetic, topological, and quantum excitations and for manipulating molecules and nanostructures on their natural time and length scales.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2019

Observation of a Majorana zero mode in a topologically protected edge channel

Superconducting proximity pairing in helical edge modes, such as those of topological insulators, is predicted to provide a unique platform for realizing Majorana zero modes (MZMs). We used scanning tunneling microscopy measurements to probe the influence of proximity-induced superconductivity and magnetism on the helical hinge states of bismuth(111) films grown on a superconducting niobium substrate and decorated with magnetic iron clusters. Consistent with model calculations, our measurements revealed the emergence of a localized MZM at the interface between the superconducting helical edge channel and the iron clusters, with a strong magnetization component along the edge. Our experiments also resolve the MZM’s spin signature, which distinguishes it from trivial in-gap states that may accidentally occur at zero energy in a superconductor.

Science & Technology - Other Topics↗
DOE OSTI2020

Twisted bulk-boundary correspondence of fragile topology

A topological insulator reveals its nontrivial bulk through the presence of gapless edge states: This is called the bulk-boundary correspondence. However, the recent discovery of “fragile” topological states with no gapless edges casts doubt on this concept. We propose a generalization of the bulk-boundary correspondence: a transformation under which the gap between the fragile phase and other bands must close. We derive specific twisted boundary conditions (TBCs) that can detect all the two-dimensional eigenvalue fragile phases. We develop the concept of real-space invariants, local good quantum numbers in real space, which fully characterize these phases and determine the number of gap closings under the TBCs. Realizations of the TBCs in metamaterials are proposed, thereby providing a route to their experimental verification.

Science & Technology - Other Topics↗
DOE OSTI2021

Materials challenges and opportunities for quantum computing hardware

Combatting noise on the platform The potential of quantum computers to solve problems that are intractable for classical computers has driven advances in hardware fabrication. In practice, the main challenge in realizing quantum computers is that general, many-particle quantum states are highly sensitive to noise, which inevitably causes errors in quantum algorithms. Some noise sources are inherent to the current materials platforms. de Leon et al. review some of the materials challenges for five platforms for quantum computers and propose directions for their solution. Science , this issue p. eabb2823

Science & Technology - Other Topics↗
DOE OSTI2022

Quantum optimization of maximum independent set using Rydberg atom arrays

Realizing quantum speedup for practically relevant, computationally hard problems is a central challenge in quantum information science. Using Rydberg atom arrays with up to 289 qubits in two spatial dimensions, we experimentally investigate quantum algorithms for solving the maximum independent set problem. We use a hardware-efficient encoding associated with Rydberg blockade, realize closed-loop optimization to test several variational algorithms, and subsequently apply them to systematically explore a class of graphs with programmable connectivity. We find that the problem hardness is controlled by the solution degeneracy and number of local minima, and we experimentally benchmark the quantum algorithm’s performance against classical simulated annealing. On the hardest graphs, we observe a superlinear quantum speedup in finding exact solutions in the deep circuit regime and analyze its origins.

Science & Technology - Other Topics↗
DOE OSTI2024

Momentum-exchange interactions in a Bragg atom interferometer suppress Doppler dephasing

Large ensembles of laser-cooled atoms interacting through infinite-range photon-mediated interactions are powerful platforms for quantum simulation and sensing. Here we realize momentum-exchange interactions in which pairs of atoms exchange their momentum states by collective emission and absorption of photons from a common cavity mode, a process equivalent to a spin-exchange or XX collective Heisenberg interaction. The momentum-exchange interaction leads to an observed all-to-all Ising-like interaction in a matter-wave interferometer. A many-body energy gap also emerges, effectively binding interferometer matter-wave packets together to suppress Doppler dephasing in analogy to Mössbauer spectroscopy. The tunable momentum-exchange interaction expands the capabilities of quantum interaction–enhanced matter-wave interferometry and may enable the realization of exotic behaviors, including simulations of superconductors and dynamical gauge fields.

Science & Technology - Other Topics↗
DOE OSTI2024

Reductive pathways in molten inorganic salts enable colloidal synthesis of III-V semiconductor nanocrystals

Colloidal quantum dots, with their size-tunable optoelectronic properties and scalable synthesis, enable applications in which inexpensive high-performance semiconductors are needed. Synthesis science breakthroughs have been key to the realization of quantum dot technologies, but important group III-group V semiconductors, including colloidal gallium arsenide (GaAs), still cannot be synthesized with existing approaches. The high-temperature molten salt colloidal synthesis introduced in this work enables the preparation of previously intractable colloidal materials. We directly nucleated and grew colloidal quantum dots in molten inorganic salts by harnessing molten salt redox chemistry and using surfactant additives for nanocrystal shape control. Synthesis temperatures above 425°C are critical for realizing photoluminescent GaAs quantum dots, which emphasizes the importance of high temperatures enabled by molten salt solvents. We generalize the methodology and demonstrate nearly a dozen III-V solid-solution nanocrystal compositions that have not been previously reported.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Determining the Parameters of the Jahn–Teller Effect in Impurity Centers from Ultrasonic Experiments: Application to the ZnSe : Ni{sup 2+} Crystal

The earlier developed methodology of ultrasonic investigation for determining the parameters of the Jahn–Teller effect (JTE) in impurity centers in crystals is further developed in application to Ni{sup 2+} impurities in ZnSe : Ni{sup 2+}. For all normal modes propagating along the [110] axis, the temperature dependences of the attenuation of ultrasound are measured in the frequency range 25–165 MHz. At a temperature of about 13 K, for all these modes, attenuation peaks are observed, which indicate the presence of local distortions of both trigonal and tetragonal types. Following the previously developed method, it is shown that these anomalies of attenuation are caused by the relaxation transitions between equivalent local distortions induced by the JTE at the Ni{sup 2+} centers. In the tetrahedral environment of selenium, this ion is in the threefold degenerate ground electron state {sup 3}T{sub 1}, in which three types of the JTE can be realized. The data of ultrasonic experiments indicate the realization of the T ⊗ (e + t{sub 2}) problem, in which the potential energy surface has four equivalent minima of the trigonal type, slightly deformed toward tetragonal saddle points. The trigonal vibronic constants, the stabilization energies of the trigonal minima, and the activation energy of the barriers between them are ev-aluated.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Polynomial Chaos Surrogate Construction for Random Fields with Parametric Uncertainty

Engineering and applied science rely on computational experiments to rigorously study physical systems. The mathematical models used to probe these systems are highly complex, and sampling-intensive studies often require prohibitively many simulations for acceptable accuracy. Surrogate models provide a means of circumventing the high computational expense of sampling such complex models. In particular, polynomial chaos expansions (PCEs) have been successfully used for uncertainty quantification studies of deterministic models where the dominant source of uncertainty is parametric. We discuss an extension to conventional PCE surrogate modeling to enable surrogate construction for stochastic computational models that have intrinsic noise in addition to parametric uncertainty. We develop a PCE surrogate on a joint space of intrinsic and parametric uncertainty, enabled by Rosenblatt transformations, which are evaluated via kernel density estimation of the associated conditional cumulative distributions. Furthermore, we extend the construction to random field data via the Karhunen–Loève expansion. We then take advantage of closed-form solutions for computing PCE Sobol indices to perform a global sensitivity analysis of the model which quantifies the intrinsic noise contribution to the overall model output variance. Additionally, the resulting joint PCE is generative in the sense that it allows generating random realizations at any input parameter setting that are statistically approximately equivalent to realizations from the underlying stochastic model. The method is demonstrated on a chemical catalysis example model and a synthetic example controlled by a parameter that enables a switch from unimodal to bimodal response distributions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Pauli–Villars regularization elucidated in Bopp–Podolsky’s generalized electrodynamics

We discuss an inherent Pauli–Villars regularization in Bopp–Podolsky’s generalized electrodynamics. Introducing gauge-fixing terms for Bopp–Podolsky’s generalized electrodynamic action, we realize a unique feature for the corresponding photon propagator with a built-in Pauli–Villars regularization independent of the gauge choice made in Maxwell’s usual electromagnetism. According to our realization, the length dimensional parameter a associated with Bopp–Podolsky’s higher order derivatives corresponds to the inverse of the Pauli–Villars regularization mass scale Λ, i.e. a=1/Λ. Solving explicitly the classical static Bopp–Podolsky’s equations of motion for a specific charge distribution, we explore the physical meaning of the parameter a in terms of the size of the charge distribution. As an offspring of the generalized photon propagator analysis, we also discuss our findings regarding on the issue of the two-term vs. three-term photon propagator in light-front dynamics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

On resolutions of cosmological singularities in higher-spin gravity

We study the resolution of certain cosmological singularity in the context of higher-spin three-dimensional gravity. We consider gravity coupled to a spin-3 field realized as Chern–Simons theory with gauge group [Formula: see text]. In this context, we elaborate and extend a singularity resolution scheme proposed by Krishnan and Roy. We discuss the resolution of a big bang singularity in the case of gravity coupled to a spin-4 field realized as Chern–Simons theory with gauge group [Formula: see text]. In all these cases, we show the existence of gauge transformations that do not change the holonomy of the Chern–Simons gauge potential and lead to metrics without the initial singularity. We argue that such transformations always exist in the context of gravity coupled to a spin-[Formula: see text] field when described by Chern–Simons with gauge group [Formula: see text].

Astronomy & Astrophysics↗
DOE OSTI2022

Exploring the Use of Novel Spatial Accelerators in Scientific Applications

Driven by the need to find alternative accelerators which can viably replace GPUs in next-generation Supercomputing systems, this paper proposes a methodology to enable agile application/hardware co-design. The application-first methodology provides the ability to come up with design of accelerators while working with real-world workloads, available accelerators, and system software. The iterative design process targets a set of kernels in a workload for performance estimates that can prune the design space for later phases of detailed architectural evaluations. To this effect, in this paper, a novel data-parallel device model is introduced that simulates the latency of performance-sensitive operations in an accelerator including data transfers and kernel computation using multi-core CPUs. The use of off-the-shelf simulators, such as pre-RTL simulator Aladdin or multiple tools available for exploring the design of deep neural network accelerators (e.g., Timeloop) is demonstrated for evaluation of various accelerator designs using applications with realistic inputs. Examples of multiple device configurations that are instantiable in a system are explored to evaluate the performance benefit of deploying novel accelerators. The proposed device is integrated with a programming model and system software to potentially explore the impacts of high-level programming languages/compilers and low-level effects such as task scheduling on multiple accelerators. We analyze our methodology for a set of applications that represent high-performance computing (HPC) and graph analytics. The applications include a computational chemistry kernel realized using tensor contractions, triangle counting, GraphSAGE and Breadth-first Search. These applications include kernels such as dense matrix-dense matrix multiplication, sparse matrix-spare matrix multiplication, and sparse matrix-dense vector multiplication. Our results indicate potential performance benefits and insights for system design by including accelerators that realize these kernels along-side general purpose accelerators.

AI, codesign, Accelerated Computing, Modeling and ↗