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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Electrical control of coherent spin rotation of a single-spin qubit

Nitrogen vacancy (NV) centers, optically active atomic defects in diamond, have attracted tremendous interest for quantum sensing, network, and computing applications due to their excellent quantum coherence and remarkable versatility in a real, ambient environment. One of the critical challenges to develop NV-based quantum operation platforms results from the difficulty in locally addressing the quantum spin states of individual NV spins in a scalable, energy-efficient manner. Here, we report electrical control of the coherent spin rotation rate of a single-spin qubit in NV-magnet based hybrid quantum systems. By utilizing electrically generated spin currents, we are able to achieve efficient tuning of magnetic damping and the amplitude of the dipole fields generated by a micrometer-sized resonant magnet, enabling electrical control of the Rabi oscillation frequency of NV spins. Our results highlight the potential of NV centers in designing functional hybrid solid-state systems for next-generation quantum-information technologies. The demonstrated coupling between the NV centers and the propagating spin waves harbored by a magnetic insulator further points to the possibility to establish macroscale entanglement between distant spin qubits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

A database of thermally activated delayed fluorescent molecules auto-generated from scientific literature with ChemDataExtractor

A database of thermally activated delayed fluorescent (TADF) molecules was automatically generated from the scientific literature. It consists of 25,482 data records with an overall precision of 82%. Among these, 5,349 records have chemical names in the form of SMILES strings which are represented with 91% accuracy; these are grouped in a subsidiary database. Each data record contains one of the following four properties: maximum emission wavelength (λ EM ), photoluminescence quantum yield (PLQY), singlet-triplet energy splitting (ΔE ST ), and delayed lifetime (τ D ). The databases were created through text mining using ChemDataExtractor, a chemistry-aware natural-language-processing toolkit, which has been adapted for TADF research. The text-mined corpus consisted of 2,733 papers from the Royal Society of Chemistry and Elsevier. To the best of our knowledge, these databases are the first databases that have been auto-generated for TADF molecules from existing publications. The databases have been publicly released for experimental and computational applications in the TADF research field.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Conductivity and size quantization effects in semiconductor $$\delta$$-layer systems

Abstract We present an open-system quantum-mechanical 3D real-space study of the conduction band structure and conductive properties of two semiconductor systems, interesting for their beyond-Moore and quantum computing applications: phosphorus $$\delta$$ δ -layers and P $$\delta$$ δ -layer tunnel junctions in silicon. In order to evaluate size quantization effects on the conductivity, we consider two principal cases: nanoscale finite-width structures, used in transistors, and infinitely-wide structures, electrical properties of which are typically known experimentally. For devices widths $$W<10$$ W < 10 nm, quantization effects are strong and it is shown that the number of propagating modes determines not only the conductivity, but the distinctive spatial distribution of the current-carrying electron states. For $$W>10$$ W > 10 nm, the quantization effects practically vanish and the conductivity tends to the infinitely-wide device values. For tunnel junctions, two distinct conductivity regimes are predicted due to the strong conduction band quantization.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Synthetic-domain computing and neural networks using lithium niobate integrated nonlinear phononics

Analogue computing uses the physical behaviours of devices to provide energy-efficient arithmetic operations. However, scaling up analogue computing platforms by simply increasing the number of devices leads to challenges such as device-to-device variation. Here, in this study, we report scalable analogue computing and neural networks in the synthetic frequency domain using an integrated nonlinear phononic platform on lithium niobate. This synthetic-domain computing is robust to device variations, as vectors and matrices are concurrently encoded at different frequencies within a single device, achieving a high throughput per area. Leveraging inherent nonlinearities, our device-aware neural network can perform a four-class classification task with an accuracy of 98.2%. The nonlinear phononic computing hardware also maintains consistent performance over a wide operational temperature range (characterized up to 192 °C). Our synthetic-domain computing combines single-device parallelism, inherent nonlinearity and environmental stability, and could be of use in edge computing applications in which power efficiency and environmental resilience are crucial.

Ji, Jun [Virginia Polytechnic Inst. and State Univ↗
DOE OSTI2016

Sub-10 nm Ta Channel Responsible for Superior Performance of a HfO 2 Memristor

Memristive devices are promising candidates for the next generation non-volatile memory and neuromorphic computing. It has been widely accepted that the motion of oxygen anions leads to the resistance changes for valence-change-memory (VCM) type of materials. Only very recently it was speculated that metal cations could also play an important role, but no direct physical characterizations have been reported yet. We report a Ta/HfO 2 /Pt memristor with fast switching speed, record high endurance (120 billion cycles) and reliable retention. We also programmed the device to 24 discrete resistance levels, and also demonstrated over a million (220) epochs of potentiation and depression, suggesting that our devices can be used for both multi-level non-volatile memory and neuromorphic computing applications. More importantly, we directly observed a sub-10 nm Ta-rich and O-deficient conduction channel within the HfO 2 layer that is responsible for the switching. Our work deepens our understanding of the resistance switching mechanism behind oxide-based memristive devices and paves the way for further device performance optimization for a broad spectrum of applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Exciton dissociation in quantum dots connected with photochromic molecule bridges

Here, we report modulation of exciton dissociation dynamics in quantum dots (QD) connected with photochromic molecules. Our results show that switching the configuration of photochromic molecules changes the inter-QD potential barrier height which has a major impact on the charge tunnelling and exciton dissociation. The switching of the dominant exciton decay pathway between the radiative recombination and exciton dissociation results in switchable photoluminescence intensity from QDs. Implications of our findings for optical memory and optical computing applications are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Local order origin of thermal stability enhancement in amorphous Ag doping GeTe

We demonstrate the impacts of Ag doping on the local atomic structure of amorphous GeTe phase-change material. The variations of phonon vibrational modes, boding nature, and atomic structure are shown by Raman, X-ray photoelectron spectroscopy, and ab initio calculation. Combining the experiments and simulations, we observe that the number of Ge atoms in octahedral site decreases and that in tetrahedral site increases. This modification in local order of GeTe originating from the low valence element will affect the crystallization behavior of amorphous GeTe, which is verified by differential scanning calorimetry and transmission electron microscope results. This work not only gives the analysis on the structural change of GeTe with Ag dopants but also provides a method to enhance the thermal stability of amorphous phase-change materials for memory and brain-inspired computing applications.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Development of general X-ray scattering model

X-ray scattering is a complex process made difficult to describe due to the effects of a complex energy spectrum interacting with a wide range of material types in complex geometry. The scattering is further complicated by the volume of material illuminated and the experimental configuration of the data acquisition. The importance of accounting for the key physics in scattering modeling is critical to the viability of the model. For example, scattering in the detector and the speed of the detector, as measured by the absorbed dose needed to produce a signal, are important in capturing undercut effects. Another example is the noise properties of the detectors are dependent on photon energy. We report on a semi-empirical treatment of x-ray scattering that includes a full energy treatment for a wide range of material types. We also include complex geometry effects that the part shape introduces. The treatment is based on experimental measurements using an energy dispersive germanium detector over energies from treatment is showing good results with experimental measurements of the scattering component agreeing with the model results to the 10% level over the range of x-ray energies and materials typical in industrial applications. Computation times for this model are in the 20 keV to 320 keV. Detector stripping routines for detector artifacts were developed. The computation time is in the range of a few minutes on a typical PC.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Estimation of beryllium ground state energy by Monte Carlo simulation

Quantum Monte Carlo method represent a powerful and broadly applicable computational tool for finding very accurate solution of the stationary Schrödinger equation for atoms, molecules, solids and a variety of model systems. Using variational Monte Carlo method we have calculated the ground state energy of the Beryllium atom. Our calculation are based on using a modified four parameters trial wave function which leads to good result comparing with the few parameters trial wave functions presented before. Based on random Numbers we can generate a large sample of electron locations to estimate the ground state energy of Beryllium. Our calculation gives good estimation for the ground state energy of the Beryllium atom comparing with the corresponding exact data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Controllable spiking patterns in long-wavelength vertical cavity surface emitting lasers for neuromorphic photonics systems

Multiple controllable spiking patterns are achieved in a 1310 nm Vertical-Cavity Surface Emitting Laser (VCSEL) in response to induced perturbations and for two different cases of polarized optical injection, namely, parallel and orthogonal. Furthermore, reproducible spiking responses are demonstrated experimentally at sub-nanosecond speed resolution and with a controlled number of spikes fired. This work opens therefore exciting research avenues for the use of VCSELs in ultrafast neuromorphic photonic systems for non-traditional computing applications, such as all-optical binary-to-spiking format conversion and spiking information encoding.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

An interface-controlled Mott memristor in α -RuCl 3

Memristor devices have history-dependent charge transport properties that are ideal for neuromorphic computing applications. We reveal a memristor material and mechanism in the layered Mott insulator α-RuCl 3 . The pinched hysteresis loops and S-shaped negative differential resistance in bulk crystals verify memristor behavior and are attributed to a nonlinear coupling between charge injection over a Schottky barrier at the electrical contacts and concurrent Joule heating. Direct simulations of this coupling can reproduce the device characteristics.

Physics↗
DOE OSTI2021

Domain wall-magnetic tunnel junction spin–orbit torque devices and circuits for in-memory computing

There are pressing problems with traditional computing, especially for accomplishing data-intensive and real-time tasks, that motivate the development of in-memory computing devices to both store information and perform computation. Magnetic tunnel junction memory elements can be used for computation by manipulating a domain wall, a transition region between magnetic domains, but the experimental study of such devices has been limited by high current densities and low tunnel magnetoresistance. Here, we study prototypes of three-terminal domain wall-magnetic tunnel junction in-memory computing devices that can address data processing bottlenecks and resolve these challenges by using perpendicular magnetic anisotropy, spin–orbit torque switching, and an optimized lithography process to produce average device tunnel magnetoresistance TMR = 171% and average resistance-area product RA = 29 Ω μm2, close to the RA of the unpatterned film. Device initialization variation in switching voltage is shown to be curtailed to 7%–10% by controlling the domain wall initial position, which we show corresponds to 90%–96% accuracy in a domain wall-magnetic tunnel junction full adder simulation. Repeatability of writing and resetting the device is shown. A circuit shows an inverter operation between two devices, showing that a voltage window is large enough, compared to the variation noise, to repeatably operate a domain wall-magnetic tunnel junction circuit. These results make strides in using magnetic tunnel junctions and domain walls for in-memory and neuromorphic computing applications.

Alamdar, Mahshid (ORCID:0000000221732935)↗
DOE OSTI2021

Proximity-induced anisotropic magnetoresistance in magnetized topological insulators.

Topological insulators (TIs) host spin-momentum locked surface states that are inherently susceptible to magnetic proximity modulations, making them promising for nano-electronic, spintronic, and quantum computing applications. While much effort has been devoted to studying (quantum) anomalous Hall effects in magnetic magnetically doped TIs, the inherent magnetoresistance (MR) properties in magnetic proximity-coupled surface states remain largely unexplored. Here, we directly exfoliate Bi 2 Se 3 TI flakes onto a magnetic insulator, yttrium iron garnet, and measure the MR at various temperatures. We experimentally observe an anisotropic magnetoresistance that is consistent with a magnetized surface state. Our results indicate that the TI has magnetic anisotropy out of the sample plane, which opens an energy gap between the surface states. Additionally, by applying a magnetic field along any in-plane orientation, the magnetization of the TI rotates toward the plane and the gap closes. Consequently, we observe a large (similar to 6.5%) MR signal that is attributed to an interplay between coherent rotation of magnetization within a topological insulator and abrupt switching of magnetization in the underlying magnetic insulator.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Superlattice reflection signatures of the insulator–metal transition in V 3 O 5 thin films

Nanoelectronic systems that are inspired by the brain are increasingly looking to insulator–metal transition (IMT) materials as they can mimic the response characteristics of neurons to temperature changes so that these can be used in robotic and computational applications. V 3 O 5 has an insulator–metal transition at ∼430 or ∼80 K higher than VO 2 and provides a unique high-temperature opportunity for these types of applications. Here, in this work, we track the structural evolution of V 3 O 5 thin films across the IMT through conventional selected-area electron diffraction (SAED) and four-dimensional scanning TEM (4D-STEM), correlated with temperature-dependent resistance measurements. SAED patterns show reversible evidence of superlattice reflections associated with the IMT—present below T IMT and absent above it—consistent with the accompanying drop in resistance. At room temperature, nanobeam electron diffraction patterns further reveal three local configurations: (i) type I regions with clean patterns lacking superlattice reflections and spot splitting; (ii) type II regions exhibiting rows of superlattice reflections and split spots indicative of crystallographic variants; and (iii) type III regions with negligible superlattice reflections but larger spot splitting suggestive of overlapping domains of insulating and conducting phases likely driven by local lattice distortions. Upon heating, the superlattice reflections disappear between 413 and 453 K, concurrent with the resistance drop at T IMT , consistent with the emergence of a conducting phase. The overall diffraction geometry remains essentially unchanged up to 573 K, implying that relative domain orientations persist through the transition. These observations reveal nanoscale structural heterogeneity in V 3 O 5 thin films across the IMT and inform operation in regimes where mixed-phase textures are expected. A plausible indexing framework rationalizing the observed geometries is presented in the Discussion section, alongside its limitations and alternative interpretations.

25 ENERGY STORAGE↗
DOE OSTI2025

Plumbene: a comprehensive review of theoretical and experimental advances

Plumbene, a two-dimensional (2D) material consisting of a single layer of lead (Pb) atoms in a honeycomb lattice, stands as a pioneering addition to the elemental 2D material family. Here, this comprehensive review encapsulates the theoretical predictions and experimental advancements that underscore its potential. With properties shaped by significant spin-orbit coupling and structural buckling, plumbene offers a playground for phenomena like the quantum spin Hall effect, superconductivity, and topological phase transitions. Despite promising theoretical insights, experimental realization has encountered challenges, primarily due to high reactivity of Pb and the need for precise fabrication conditions. This paper critically examines the electronic, thermal, mechanical, and topological attributes of plumbene, alongside synthesis methods, functionalization techniques, and substrate effects. It further proposes directions for addressing synthesis challenges and integrating plumbene into advanced technologies, particularly in electronic, spintronic, and quantum computing applications. This review aims to bridge the gap between theoretical potential and experimental progress, fostering a deeper understanding of this intriguing material.

2D materials↗
DOE OSTI2024

Unified wavefront singularity characterization of three-dimensional elastodynamic time-domain half-space Green's function under impulsive boundary and internal loads

Founded on a novel analytical formulation that led to a rigorous yet compact path-integral representation of the time-domain elastodynamic half-space Green's function, a unified analysis of the possible occurrence of different singular wavefront behaviour in the response under arbitrary impulsive internal or surface point loads at arbitrary source-receiver locations is presented. With the decomposition of the general solution into distinct initiating and reflected wave group integrals that share a common factored format and simple contour definitions, the mathematical framework is shown to allow a straightforward identification of the specific conditions and the particular wave groups that are responsible for the singular wavefront phenomena without resorting to advanced analytic function theories or asymptotic methods. Analytic characterizations of the nature, strength and direction of all intrinsic singular wavefront behaviours of the three-dimensional Green's function in three canonical cases of source-receiver configurations are given in a dual integral-closed form format to facilitate their theoretical understanding as well as computational applications. Graphical illustrations of their variation with the source-receiver configuration and the medium's Poisson's ratio together with relevant comparison and clarifications of some classical treatments are included.

Green’s functions↗
DOE OSTI2020

Experimental demonstration and analysis of random field effects in ferromagnet/antiferromagnet bilayers

More than 30 years ago, Malozemoff [Phys. Rev. B 35, 3679 (1987)] hypothesized that exchange interaction at the interface between a ferromagnet (F) and an antiferromagnet (AF) can act as an effective random field, which can profoundly affect the magnetic properties of the system. However, until now this hypothesis has not been directly experimentally tested. We utilize magnetoelectronic measurements to analyze the effective exchange fields at permalloy/CoO interface. Our results cannot be explained in terms of quasiuniform effective exchange fields but are in agreement with the random-field hypothesis of Malozemoff. Finally, the presented approach opens a new route for the quantitative analysis of effective exchange fields and anisotropies in magnetic heterostructures for memory, sensing and computing applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

FRaZ: A Generic High-Fidelity Fixed-Ratio Lossy Compression Framework for Scientific Floating-point Data

With ever-increasing volumes of scientific floating-point data being produced by high-performance computing applications, significantly reducing scientific floating-point data size is critical, and error-controlled lossy compressors have been developed for years. None of the existing scientific floating-point lossy data compressors, however, support effective fixed-ratio lossy compression. Yet fixed-ratio lossy compression for scientific floating-point data not only compresses to the requested ratio but also respects a user-specified error bound with higher fidelity. In this paper, we present FRaZ: a generic fixed-ratio lossy compression framework respecting user-specified error constraints. The contribution is twofold. (1) We develop an efficient iterative approach to accurately determine the appropriate error settings for different lossy compressors based on target compression ratios. (2) We perform a thorough performance and accuracy evaluation for our proposed fixed-ratio compression framework with multiple state-of-the-art error-controlled lossy compressors, using several real-world scientific floating-point datasets from different domains. Experiments show that FRaZ effectively identifies the optimum error setting in the entire error setting space of any given lossy compressor. While fixed-ratio lossy compression is slower than fixed-error compression, it provides an important new lossy compression technique for users of very large scientific floating-point datasets.

Underwood, Robert↗