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At least 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Resonant metasurface‐enabled quantum light sources for single‐photon emission and entangled photon‐pair generation

Light encodes information in multiple degrees of freedom (e.g., frequency, amplitude, and phase), enabling high‐speed, high‐bandwidth communication through fiber optics. Unlike classical light, quantum light (single or entangled photons) can transmit quantum states over long distances without loss of coherence, thereby coherently interconnecting quantum nodes for distributed quantum entanglement. Quantum light sources are critical for developing scalable quantum networks aimed at distributed quantum computing, quantum teleportation, and secure quantum communications. However, existing quantum light sources suffer from limited integrability, insufficient spectral and spatial tunability, and inefficiencies in achieving mass‐produced, deterministic, on‐demand quantum light generation. These limitations significantly hinder progress toward direct, on‐chip integration with quantum processing units and detectors – an essential step toward scalable quantum networks. Resonant metasurfaces that leverage photonic modes – such as Mie resonances, guided‐mode resonances, or symmetry‐protected bound states in the continuum – offer strong spatial and temporal confinement of electromagnetic fields, characterized by high quality factors and small mode volumes. These metasurfaces greatly enhance linear and nonlinear light‐matter interactions, making them ideal for efficient on‐chip quantum light generation and manipulation. Here, we describe recent advances in nanoscale quantum light sources and quantum photonic state manipulation enabled by resonant metasurfaces. We also provide an outlook on next‐generation miniaturized quantum light sources achievable through materials innovations in quantum emitters, the co‐design of resonant metasurfaces, and ultimately, the heterogeneous integration of emerging layered van der Waals materials with resonant metasurfaces.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Exploring Li-Ion Transport Properties of Li 3 TiCl 6 : A Machine Learning Molecular Dynamics Study

We performed large-scale molecular dynamics simulations based on a machine-learning force field (MLFF) to investigate the Li-ion transport mechanism in cation-disordered Li 3 TiCl 6 cathode at six different temperatures, ranging from 25°C to 100°C. In this work, deep neural network method and data generated by ab − initio molecular dynamics (AIMD) simulations were deployed to build a high-fidelity MLFF. Radial distribution functions, Li-ion mean square displacements (MSD), diffusion coefficients, ionic conductivity, activation energy, and crystallographic direction-dependent migration barriers were calculated and compared with corresponding AIMD and experimental data to benchmark the accuracy of the MLFF. From MSD analysis, we captured both the self and distinct parts of Li-ion dynamics. The latter reveals that the Li-ions are involved in anti-correlation motion that was rarely reported for solid-state materials. Similarly, the self and distinct parts of Li-ion dynamics were used to determine Haven’s ratio to describe the Li-ion transport mechanism in Li 3 TiCl 6 . Obtained trajectory from molecular dynamics infers that the Li-ion transportation is mainly through interstitial hopping which was confirmed by intra- and inter-layer Li-ion displacement with respect to simulation time. Ionic conductivity (1.06 mS/cm) and activation energy (0.29eV) calculated by our simulation are highly comparable with that of experimental values. Overall, the combination of machine-learning methods and AIMD simulations explains the intricate electrochemical properties of the Li 3 TiCl 6 cathode with remarkably reduced computational time. Thus, our work strongly suggests that the deep neural network-based MLFF could be a promising method for large-scale complex materials.

Selvaraj, Selva Chandrasekaran (ORCID:000000029023↗
DOE OSTI2023

Physical Insights From the Multidecadal Prediction of North Atlantic Sea Surface Temperature Variability Using Explainable Neural Networks

Abstract North Atlantic sea surface temperatures (NASST), particularly in the subpolar region, are among the most predictable in the world's oceans. However, the relative importance of atmospheric and oceanic controls on their variability at multidecadal timescales remain uncertain. Neural networks (NNs) are trained to examine the relative importance of oceanic and atmospheric predictors in predicting the NASST state in the Community Earth System Model 1 (CESM1). In the presence of external forcings, oceanic predictors outperform atmospheric predictors, persistence, and random chance baselines out to 25‐year leadtimes. Layer‐wise relevance propagation is used to unveil the sources of predictability, and reveal that NNs consistently rely upon the Gulf Stream‐North Atlantic Current region for accurate predictions. Additionally, CESM1‐trained NNs successfully predict the phasing of multidecadal variability in an observational data set, suggesting consistency in physical processes driving NASST variability between CESM1 and observations.

Geology↗
DOE OSTI2022

Background-Aware 3-D Point Cloud Segmentation With Dynamic Point Feature Aggregation

With the proliferation of LiDAR sensors and 3-D vision cameras, 3-D point cloud analysis has attracted significant attention in recent years. In this article, we propose a novel 3-D point cloud learning network, referred to as dynamic point feature aggregation network (DPFA-Net), by selectively performing the neighborhood feature aggregation (FA) with dynamic pooling and an attention mechanism. DPFA-Net has two variants for semantic segmentation and classification of 3-D point clouds. As the core module of the DPFA-Net, we propose an FA layer, in which features of the dynamic neighborhood of each point are aggregated via a self-attention mechanism. In contrast to other segmentation models, which aggregate features from fixed neighborhoods, our approach can aggregate features from different neighbors in different layers providing a more selective and broader view to the query points and focusing more on the relevant features in a local neighborhood. In addition, to further improve the performance of semantic segmentation, we exploit the background–foreground (BF) information and present two novel approaches, namely, two-stage BF-Net and BF regularization. Experimental results show that the proposed DPFA-Net achieves the state-of-the-art overall accuracy score of 89.22% for semantic segmentation on the Stanford large-scale 3-D Indoor Spaces (S3DIS) dataset and provides consistently satisfactory performance across different tasks of semantic segmentation, part segmentation, and 3-D object classification. Furthermore, our model achieves 93.1% accuracy on the ModelNet40 dataset and provides a mean shape intersection-over-union (IoU) value of 85.5% for part segmentation on the ShapeNet-Part dataset. It is a also computationally more efficient compared to other methods.

3-D↗
DOE OSTI2021

APNN-TC: Accelerating Arbitrary Precision Neural Networks on Ampere GPU Tensor Cores

Over the years, accelerating neural networks with quantization has been widely studied. Unfortunately, prior efforts with diverse precisions (e.g., 1-bit weights and 2-bit activations) are usually restricted by limited precision support on GPUs (e.g., int1 and int4). To break such restrictions, we introduce the first Arbitrary Precision Neural Network framework (APNN-TC) to fully exploit quantization benefits on Ampere GPU Tensor Cores. Specifically, APNN-TC first incorporates a novel emulation algorithm to support arbitrary short bit-width computation with int1 compute primitives and XOR/AND Boolean operations. Second, APNN-TC integrates arbitrary precision layer designs to efficiently map our emulation algorithm to Tensor Cores with novel batching strategies and specialized memory organization. Third, APNN-TC embodies a novel arbitrary precision NN design to minimize memory access across layers and further improve performance. Extensive evaluations show that APNN-TC can achieve significant speedup over CUTLASS kernels and various NN models, such as ResNet and VGG.

Feng, Boyuan↗
NASA NTRS1989

Variable-Resistivity Material For Memory Circuits

Nonvolatile memory elements packed densely. Electrically-erasable, programmable, read-only memory matrices made with newly-synthesized organic material of variable electrical resistivity. Material, polypyrrole doped with tetracyanoquinhydrone (TCNQ), changes reversibly between insulating or higher-resistivity state and conducting or low-resistivity state. Thin film of conductive polymer separates layer of row conductors from layer of column conductors. Resistivity of film at each intersection and, therefore, resistance of memory element defined by row and column, increased or decreased by application of suitable switching voltage. Matrix circuits made with this material useful for experiments in associative electronic memories based on models of neural networks.

Nagasubramanian, Ganesan↗
NASA NTRS2014

Microstructure and Oxidation of a MAX Phase/Superalloy Hybrid Interface

Corrosion resistant, strain tolerant MAX phase coatings are of interest for turbine applications. Thin Cr2AlC MAX phase wafers were vacuum diffusion bonded to an advanced turbine disk alloy, LSHR, at 1100 C. The interface, examined by optical and scanning electron microscopy, revealed a primary diffusion zone consisting of ~ 10 micrometers of beta-Ni(Co)Al, decorated with various NiCoCrAl, MC and M3B2 precipitates. On the Cr2AlC side, an additional ~40 micrometers Al-depletion zone of Cr7C3 formed in an interconnected network with the beta-Ni(Co)Al. Oxidation of an exposed edge at 800 C for 100 h produced a fine-grained lenticular alumina scale over Cr2AlC and beta-Ni(Co)Al, with coarser chromia granules over the Cr7C3 regions. Subsequent growth of the diffusion layers was only ~ 5 micrometers in total. A residual stress of ~ 500 MPa was estimated for the MAX phase layer, but no interfacial damage was observed. Subsequent tests for 1000 h reveal similar results.

heat resistant alloys↗
DOE OSTI2023

Modeling the aqueous interface of amorphous TiO 2 using deep potential molecular dynamics

Amorphous titanium dioxide (a-TiO 2 ) is widely used as a coating material in applications such as electrochemistry and self-cleaning surfaces where its interface with water has a central role. However, little is known about the structures of the a-TiO 2 surface and aqueous interface, particularly at the microscopic level. In this work, we construct a model of the a-TiO 2 surface via a cut-melt-and-quench procedure based on molecular dynamics simulations with deep neural network potentials (DPs) trained on density functional theory data. After interfacing the a-TiO 2 surface with water, we investigate the structure and dynamics of the resulting system using a combination of DP-based molecular dynamics (DPMD) and ab initio molecular dynamics (AIMD) simulations. Both AIMD and DPMD simulations reveal that the distribution of water on the a-TiO 2 surface lacks distinct layers normally found at the aqueous interface of crystalline TiO 2 , leading to an ~10 times faster diffusion of water at the interface. Bridging hydroxyls (Ti 2 –O b H) resulting from water dissociation decay several times more slowly than terminal hydroxyls (Ti–O w H) due to fast Ti–O w H 2 → Ti–O w H proton exchange events. These results provide a basis for a detailed understanding of the properties of a-TiO 2 in electrochemical environments. Moreover, the procedure of generating the a-TiO 2 -interface employed here is generally applicable to studying the aqueous interfaces of amorphous metal oxides.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRSDate not supplied

Next Steps: Laying the Groundwork for Bundle Protocol v7

Delay/Disruption Tolerant Networking (DTN) is a networking model and protocol suite that extends the terrestrial internet to the challenging communication environments of space. These environments are typically subject to frequent disruptions, which can cause delays or errors. DTN protects data transmission by wrapping data into bundles (similar to Internet Protocol packets), storing them until a connection can be established between two nodes (similar to terrestrial routers or computers), and forwarding them to their destinations. Bundle Protocol (BP) is responsible for generating those bundles and creates the transport layer of DTN, much like how Transmission Control Protocol (TCP) and User Datagram Protocol (UDP) create the transport layer of the Internet Protocol. BPv6 is the current, accepted version of the Bundle Protocol standard. However, recent missions and test implementations have revealed missing components and areas for improvement in the standard. Using lessons learned from NASA missions and gathering inspiration from the Internet Protocol, BPv7 is intended to be a more robust Bundle Protocol that improves upon its predecessor and increases the technology readiness level of the DTN architecture. The DTN Standard Interface Design team, a sub-team of the DTN Infusion Project at the Goddard Space Flight Center, worked to create a dictionary of terms for bundle components and functional decomposition of the protocol. These efforts aided in the standardization of BP interfaces, something missing from BPv6, and supported parallel network management and configuration work. This standardization will ultimately contribute to LunaNet (a lunar communications and navigation architecture that will bring networking, positioning, navigation, timing and science services to the Moon), the Solar System Internet (SSI), and expand crewed and uncrewed space exploration opportunities.

DTN↗
NASA NTRSDate not supplied

Next Steps: Laying the Groundwork for Bundle Protocol v7

Delay/Disruption Tolerant Networking (DTN) is a networking model and protocol suite that extends the terrestrial internet to the challenging communication environments of space. These environments are typically subject to frequent disruptions, which can cause delays or errors. DTN protects data transmission by wrapping data into bundles (similar to Internet Protocol packets), storing them until a connection can be established between two nodes (similar to terrestrial routers or computers), and forwarding them to their destinations. Bundle Protocol (BP) is responsible for generating those bundles and creates the transport layer of DTN, much like how Transmission Control Protocol (TCP) and User Datagram Protocol (UDP) create the transport layer of the Internet Protocol. BPv6 is the current, accepted version of the Bundle Protocol standard. However, recent missions and test implementations have revealed missing components and areas for improvement in the standard. Using lessons learned from NASA missions and gathering inspiration from the Internet Protocol, BPv7 is intended to be a more robust Bundle Protocol that improves upon its predecessor and increases the technology readiness level of the DTN architecture. The DTN Standard Interface Design team, a sub-team of the DTN Infusion Project at the Goddard Space Flight Center, worked to create a dictionary of terms for bundle components and functional decomposition of the protocol. These efforts aided in the standardization of BP interfaces, something missing from BPv6, and supported parallel network management and configuration work. This standardization will ultimately contribute to LunaNet (a lunar communications and navigation architecture that will bring networking, positioning, navigation, timing and science services to the Moon), the Solar System Internet (SSI), and expand crewed and uncrewed space exploration opportunities.

dtn↗
DOE OSTI2025

Uncertainty quantification for neural network potential foundation models

Abstract For neural network potentials (NNPs) to gain widespread use, researchers must be able to trust model outputs. However, the blackbox nature of neural networks and their inherent stochasticity are often deterrents, especially for foundation models trained over broad swaths of chemical space. Uncertainty information provided at the time of prediction can help reduce aversion to NNPs. In this work, we detail two uncertainty quantification (UQ) methods. Readout ensembling, by finetuning the readout layers of an ensemble of foundation models, provides information about model uncertainty, while quantile regression, by replacing point predictions with distributional predictions, provides information about uncertainty within the underlying training data. We demonstrate our approach with the MACE-MP-0 model, applying UQ to the foundation model and a series of finetuned models. The uncertainties produced by the readout ensemble and quantile methods are demonstrated to be distinct measures by which the quality of the NNP output can be judged.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Role of interfaces on the mechanical response of accumulative roll bonded nanometallic laminates investigated via dislocation dynamics simulations

Unraveling the effects of continuous dislocation interactions with interfaces, particularly at the nanometer length scales, is key to a broader understanding of plasticity, to material design and to material certification. To this end, this work proposes a novel discrete dislocation dynamics-based model for dislocation interface interactions tracking the fate of residual dislocation on interfaces. This new approach is used to predict the impact of dislocation/interface reactions on the overall mechanical behavior of accumulative roll bonded nanometallic laminates. The framework considers the dynamic evolution of the interface concurrent with a large network of dislocations, thus, accounting for the local short and long range effects of the dislocations under the external boundary conditions. Specifically, this study focuses on two-phase Fe/Cu nanometallic laminates, and investigates the role of the underlying elastic and plastic contrast of the Fe and the Cu layers on the composite response of the material. Moreover, the role of initial microstructures, resulting from processing is also investigated. Subsequently, the model is used to examine the effect of layer thickness and interface orientation relationship on the residual stresses of the relaxed microstructure. The associated mechanical response of these laminates are compared when loaded under normal direction compression, as well as shear compression. Finally, this work predicts a dominant effect of the layer thickness, as compared to the interface orientation relationship, on the macroscopic response and on the residual stresses of these nanolaminates, while the local dislocation transmission propensity through the interface is significantly influenced by the corresponding orientation relationship.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Role of depth in optical diffractive neural networks

Free-space all-optical diffractive neural networks have emerged as promising systems for neuromorphic scene classification. Understanding the fundamental properties of these systems is important to establish their ultimate performance. Here we consider the case of diffraction by subwavelength apertures and study the behavior of the system as a function of the number of diffractive layers by employing a co-design modeling approach. We show that adding depth allows the system to achieve high classification accuracies with a reduced number of diffractive features compared to a single layer, but that it does not allow the system to surpass the performance of an optimized single layer. The improvement from depth is found to be limited to the first few layers. These properties originate from the constraints imposed by the physics of light, in particular the weakening electric field with distance from the aperture.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Wind River Experimental Forest Subcanopy Tower Information Sheet

Wind River was one of three sites that collected 3d sonic anemometer data for an ICOS subcanopy observation study. The three sites were defined by the following features and terrain: a deciduous broadleaf forest in flat terrain (Lanžhot, Czech Republic), a coniferous forest in mountainous terrain (Renon, Italy), and a tall conifer forest in mountain-valley terrain (Wind River, USA). The Wind River subcanopy towers were deployed in a high LAI, old-growth evergreen conifer forest and collected approximately 11 months of data. The site is an ecologically rich temperate rainforest in the western Cascade Mountains, and the biological carbon sink and source strength has been measured since 1998 using eddy covariance on the top of a 74 m tall flux tower (currently called the Wind River NEON tower). Additionally, forest inventory records date back to the 1920s. In 2024, four subcanopy towers were installed near the Wind River NEON tower to measure wind flow in the understory canopy layer for better understanding canopy flow coupling and decoupling in the subcanopy and how this affects the interpretation of overstory fluxes. The subcanopy tower installation was done by Lawrence Livermore National Laboratory and Washington State University (WSU) with collaborations from the University of Utah and the National Ecological Observatory Network (NEON).

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1990

Analog Delta-Back-Propagation Neural-Network Circuitry

Changes in synapse weights due to circuit drifts suppressed. Proposed fully parallel analog version of electronic neural-network processor based on delta-back-propagation algorithm. Processor able to "learn" when provided with suitable combinations of inputs and enforced outputs. Includes programmable resistive memory elements (corresponding to synapses), conductances (synapse weights) adjusted during learning. Buffer amplifiers, summing circuits, and sample-and-hold circuits arranged in layers of electronic neurons in accordance with delta-back-propagation algorithm.

Eberhart, Silvio↗
NASA NTRS1993

Dynamics of the solar chromosphere. I - Long-period network oscillations

We analyze differences in solar oscillations between the chromospheric network and internetwork regions from a 1 hr sequence of spectrograms of a quiet region near disk center. The spectrograms contain Ca II H, Ca I 422.7 nm, and various Fe I blends in the Ca II H wing. They permit vertical tracing of oscillations throughout the photosphere and into the low chromosphere. We find that the rms amplitude of Ca II H line center Doppler fluctuations is about 1.5 km/s for both network and internetwork, but that the character of the oscillations differs markedly in these two regions. Within internetwork areas the chromospheric velocity power spectrum is dominated by oscillations with frequencies at and above the acoustic cutoff frequency. They are well correlated with the oscillations in the underlying photosphere, but they are much reduced in the network. In contrast, the network Ca II H line center velocity and intensity power spectra are dominated by low-frequency oscillations with periods of 5-20 min. Their signature is much clearer in our Ca II H line center measurements than in previously used diagnostics which are contaminated by signals from deeper layers. We find that these long-period oscillations are not correlated with underlying photospheric disturbances, and we discuss their nature.

Lites, B. W.↗
NASA NTRS2001

Modeling and Analysis of Structural Dynamics for a One-Tenth Scale Model NGST Sunshield

New modeling and analysis techniques have been developed for predicting the dynamic behavior of the Next Generation Space Telescope (NGST) sunshield. The sunshield consists of multiple layers of pretensioned, thin-film membranes supported by deployable booms. Modeling the structural dynamic behavior of the sunshield is a challenging aspect of the problem due to the effects of membrane wrinkling. A finite element model of the sunshield was developed using an approximate engineering approach, the cable network method, to account for membrane wrinkling effects. Ground testing of a one-tenth scale model of the NGST sunshield were carried out to provide data for validating the analytical model. A series of analyses were performed to predict the behavior of the sunshield under the ground test conditions. Modal analyses were performed to predict the frequencies and mode shapes of the test article and transient response analyses were completed to simulate impulse excitation tests. Comparison was made between analytical predictions and test measurements for the dynamic behavior of the sunshield. In general, the results show good agreement with the analytical model correctly predicting the approximate frequency and mode shapes for the significant structural modes.

Johnston, John↗
NASA NTRS2011

Interpreting Lidar Measurements to Better Estimate Surface PM2.S in Study Regions of DISCOVER-AQ

The use of satellite AOD data to estimate surface PM2.5 has been broadly studied in various regions. Some showed good results while some showed relatively poor with the simple relationship between AOD and PM2.5. The key factor is the aerosol vertical distribution. Lidar extinction profiles provide insights into the aerosol mixing not only in the boundary layer but also quantifying residual aerosol abundance above boundary layer with e-folding scale height. The normalizing AOD by hazy layer height is proven better in correlating with PM2.5. In other words, extinction measurements near the surface can be a proxy for surface PM2.5. In this study, we will use NASA airborne HSRL (High Spectral Resolution Lidar) during SJV2007 (San Joaquin Valley, February 2007) and surface MPLNet (Micropulse Lidar Network) at GSFC between 2007 and 2010 to characterize the relationship for the DISCOVER-AQ (Deriving Information on Surface Conditions from COlumn and VERtically Resolved Observations Relevant to Air Quality) field experiments; the first over Baltimore-Washington was conducted in July 2011.

Chu, D. A.↗