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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 379 records · Page 21

Multi-fidelity modeling to predict the rheological properties of a suspension of fibers using neural networks and Gaussian processes

Unveiling the rheological properties of fiber suspensions is of paramount interest to many industrial applications. There are multiple factors, such as fiber aspect ratio and volume fraction, that play a significant role in altering the rheological behavior of suspensions. Three-dimensional (3D) numerical simulations of coupled differential equations of the suspension of fibers are computationally expensive and time-consuming. Machine learning algorithms can be trained on the available data and make predictions for the cases where no numerical data are available. However, some widely used machine learning surrogates, such as neural networks, require a relatively large training dataset to produce accurate predictions. Multi-fidelity models, which combine high-fidelity data from numerical simulations and less expensive lower fidelity data from resources such as simplified constitutive equations, can pave the way for more accurate predictions. Here, we focus on neural networks and the Gaussian processes with two levels of fidelity, i.e., high and low fidelity networks, to predict the steady-state rheological properties, and compare them to the single-fidelity network. High-fidelity data are obtained from direct numerical simulations based on an immersed boundary method to couple the fluid and solid motion. The low-fidelity data are produced by using constitutive equations. Multiple neural networks and the Gaussian process structures are used for the hyperparameter tuning purpose. Results indicate that with the best choice of hyperparameters, both the multi-fidelity Gaussian processes and neural networks are capable of making predictions with a high level of accuracy with neural networks demonstrating marginally better performance.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Proposal for superconducting quantum networks using multioctave transduction to lower frequencies

We propose networking superconducting quantum circuits by transducing their excitations (typically 4–8 GHz) to 200–500 MHz photons for transmission via superconducting cryogenic coaxial cables. This frequency down-conversion reduces transmission losses and, counterintuitively, reduces noise. We introduce a multioctave asymmetrically threaded superconducting quantum interference device circuit capable of the required efficient, high-rate transduction. For a 100-meter cable with 𝑄 𝑖 = 10 5 at 10 mK, we theoretically show that our approach achieves single-photon fidelities of 0.962 at 200 MHz versus 0.772 at 8 GHz, and triples the lower bound on quantum channel capacity. In conclusion, this method enables highly efficient networking of superconducting qubits while maintaining high fidelities, combining improved performance with the practical advantages of flexible, compact coaxial cables.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Key Accomplishments & Results: Outdoor Lighting Accelerator

This document provides a high-level summary of the results of the Better Buildings Outdoor Lighting Accelerator, which worked with states, cities, regional energy networks, and utilities to accelerate the deployment of high-performance street and area lighting in the public sector.

Lighting, Exterior Lighting, Outdoor Lighting, LED↗

A Novel Sliding Mode Network Perimeter Controller

Congestion in urban areas is a chronic problem that faces many US and worldwide cities. It results in inefficient use of the infrastructure as well as increased fuel consumption and vehicle emissions. Congestion is intertwined with delay. Road users waste precious hours on the road, which reduces productivity. Throughout this decade researchers were and are developing tools and systems that alleviate this problem. Network perimeter control is one of these tools that has been studied extensively. It attempts to control the flow of vehicles entering a protected area so as not to reach the congested regime that is pre-determined using the Network Fundamental Diagram (NFD). In this paper, we present a novel and simple approach derived from sliding mode control theory that achieves the desired objective. Its main advantages over other control strategies include but are not limited to (1) ease of implementation, (2) minimal and straightforward model tuning, and (3) high performance. This controller was implemented and tested on a congested grid network. The results show that, the new logic performs as expected, producing network-wide delay savings that are consistent with other control approaches described in the literature. Furthermore, unlike other controllers, we demonstrate that the controller is robust to its hyper-parameter values, making the algorithm easy to implement and calibrate to local conditions. http://pubsindex.trb.org/

Sliding mode control, network perimeter control, n↗

Evaluation of a data fusion approach to estimate daily PM{sub 2.5} levels in North China

PM{sub 2.5} air pollution has been a growing concern worldwide. Previous studies have conducted several techniques to estimate PM{sub 2.5} exposure spatiotemporally in China, but all these have limitations. This study was to develop a data fusion approach and compare it with kriging and Chemistry Module. Two techniques were applied to create daily spatial cover of PM{sub 2.5} in grid cells with a resolution of 10 km in North China in 2013, respectively, which was kriging with an external drift (KED) and Weather Research and Forecast Model with Chemistry Module (WRF-Chem). A data fusion technique was developed by fusing PM{sub 2.5} concentration predicted by KED and WRF-Chem, accounting for the distance from the central of grid cell to the nearest ground observations and daily spatial correlations between WRF-Chem and observations. Model performances were evaluated by comparing them with ground observations and the spatial prediction errors. KED and data fusion performed better at monitoring sites with a daily model R{sup 2} of 0.95 and 0.94, respectively and PM{sub 2.5} was overestimated by WRF-Chem (R{sup 2}=0.51). KED and data fusion performed better around the ground monitors, WRF-Chem performed relative worse with high prediction errors in the central of study domain. In our study, both KED and data fusion technique provided highly accurate PM{sub 2.5}. Current monitoring network in North China was dense enough to provide a reliable PM{sub 2.5} prediction by interpolation technique. - Highlights: • KED and data fusion model predicted daily PM{sub 2.5} with high accuracy. • WRF-Chem performed worse in PM{sub 2.5} prediction compared with KED and data fusion. • The PM{sub 2.5} monitoring network in North China was able to support reliable PM{sub 2.5} interpolation.

54 ENVIRONMENTAL SCIENCES↗

Inference-Engine v0.1.0

Given a pre-trained neural network, Inference-Engine performs maps network inputs to outputs by executing the forward pass through the provided network. Although the predominant programming language for machine-learning is Python, most high-performance computing (HPC) applications are written in Fortran, C, or C++. Inference-Engine aims to support HPC programs and is written in Fortran, a language with a large feature set supporting interoperability with C. This software exposes concurrency in a portable way by using standard language features that some modern Fortran compilers can exploit with various optimizations, including offloading computation to a Graphics Processing Unit (GPU). In particular, this software makes extensive use of Fortran's "do concurrent" parallel loop construct, implicitly parallel array statements, and pure procedures that can be invoked inside "do concurrent" blocks. Inference-Engine also supports dynamic choice of inference methods at runtime. Two current options include one method that uses Fortran's "dot_product" intrinsic function inside "do concurrent" blocks and another method that instead uses Fortran' "matmul" array intrinsic function. We plan to investigate automatic compiler offloading of "do concurrent" calculations to GPUs and compile-time substitution of optimized libraries such as the Basic Linear Algebra Library (BLAS) for "matmul" invocations. We also envision the potential for the choice of which method to use could happen at program launch based on in situ performance measurements on any given platform.

Rouson, Damian↗

Street-level temperature estimation using graph neural networks: Performance, feature embedding and interpretability

Estimating street-level air temperature is a challenging task due to the highly heterogeneous urban surfaces, canyon-like street morphology, and the diverse physical processes in the built environment. Though pioneering studies have embarked on investigations via data-driven approaches, many questions remain to be answered. Here, in this study, we leveraged an innovative framework and redefined the street-level temperature estimation problem using Graph Neural Networks (GNN) with spatial embedding techniques. The results showed that GNN models are more capable and consistent of estimating street-level temperature among tested locations, benefiting from its unique strength in handling extensive data over unstructured graph topology. In addition, we conducted in-depth analysis of feature importance to enhance the model interpretability. Among the urban features analyzed in this study, the time-variant canopy density and meter-level land use data emerge as crucial factors. Our findings highlight GNN 's high potential in capturing the complex dynamics between urban elements and their impacts on microclimate, thus offering valuable insights for comprehensive urban data collection and urban climate modeling in general. Collectively, this study also contributes to urban planning and policy by providing avenues to enhance city resilience against climate change, thereby advancing the agenda for environmental stewardship and urban sustainability.

54 ENVIRONMENTAL SCIENCES↗

Self-assembled Ag nanoparticle network passivated by a nano-sized ZnO layer for transparent and flexible film heaters

We investigated a self-assembled Ag nanoparticle network electrode passivated by a nano-sized ZnO layer for use in high-performance transparent and flexible film heaters (TFFHs). The low temperature atomic layer deposition of a nano-sized ZnO layer effectively filled the uncovered area of Ag network and improved the current spreading in the self-assembled Ag network without a change in the sheet resistance and optical transmittance as well as mechanical flexibility. The time-temperature profiles and heat distribution analysis demonstrate that the performance of the TFTH with the ZnO/Ag network is superior to that of a TFFH with Ag nanowire electrodes. In addition, the TFTHs with ZnO/Ag network exhibited better stability than the TFFH with a bare Ag network due to the effective current spreading through the nano-sized ZnO layer.

36 MATERIALS SCIENCE↗

Hong-Ou-Mandel interference of single-photon-level pulses stored in independent room-temperature quantum memories

Abstract Quantum repeater networks require independent absorptive quantum memories capable of storing and retrieving indistinguishable photons to perform high-repetition entanglement swapping operations. The ability to perform these coherent operations at room temperature is of prime importance for the realization of scalable quantum networks. We perform Hong-Ou-Mandel (HOM) interference between photonic polarization states and single-photon-level pulses stored and retrieved from two sets of independent room-temperature quantum memories. We show that the storage and retrieval of polarization states from quantum memories does not degrade the HOM visibility for few-photon-level polarization states in a dual-rail configuration. For single-photon-level pulses, we measure the HOM visibility with various levels of background in a single polarization, single-rail QM, and investigate its dependence on the signal-to-background ratio. We obtain an HOM visibility of 43%, compared to the 48% no-memory limit of our set-up. These results allow us to estimate a 33% visibility for polarization qubits under the same conditions. These demonstrations lay the groundwork for future applications using large-scale memory-assisted quantum networks.

Physics↗

All-polymer nanocomposites having superior strength, toughness and ultralow energy dissipation

Toughening polymers has attracted significant interest. Traditionally, polymer toughness is enhanced by constructing polymer networks or introducing sacrificial bonds into the chains between crosslink points. These strategies, though, introduce pronounced energy dissipation and associated heat, both of which are undesirable under long-term cyclic loading, for example at the interface of implants in the human body. By incorporating single-chain nanoparticles (SCNPs) into linear polymer chains to generate all-polymer nanocomposites (APNCs), we have been able to achieve high strength, high toughness with low energy dissipation. Using a combination of simulation and experimental results, we are advancing a “SCNPs effect” where tightly cross-linked SCNPs produce a modulus contrast to achieve strengthening and toughening. Benefitting from the soft interface, the penetrable and deformable SCNPs cause the surrounding polymer chains to move in concert, significantly reducing the interfacial friction to achieve low energy dissipation. The intramolecular cross-linking of the SCNPs and adhesion between the SCNPs and polymer matrix are critical for realizing such high-performance systems. Based on a Gaussian regression model and back propagation (BP) neural network, the mechanical strength can be predicted and is supported by simulations. Finally, the APNC concept described can be applied to elastomers and gels, broadening its utilization in high-cycle and low-dissipation applications, like soft robots, flexible sensors and cartilage replacements, and artificial heart valves.

36 MATERIALS SCIENCE↗

Efficient bidirectional quantum frequency conversion between telecom and visible bands using adaptively phase-matched III-V nanophotonic waveguides

Quantum frequency conversion (QFC) is essential for interfacing quantum systems operating at different wavelengths and for realizing scalable quantum networks. Despite extensive progress, achieving QFC with simultaneous high efficiency, low pump power, minimal noise, broad bandwidth, and pump-wavelength flexibility remains challenging. Here, we demonstrate efficient, low-noise, and bidirectional QFC between the telecom (1550-nm) and visible (780-nm) bands using unpoled indium gallium phosphide (InGaP) χ (2) nanophotonic waveguides, eliminating the need for a long-wavelength pump. Leveraging the large nonlinear susceptibility of InGaP together with adaptive phase-matching control, we obtain 27% (55%) internal efficiency in a 6-mm (2.5-mm)-long waveguide with a low pump power of 20 mW (50 mW) and a noise flux spectral density of 10 −4 counts per second per hertz at signal–pump detuning of 20 nm. These results mark a significant advance in integrated nonlinear photonics for high-performance QFC, facilitating the development of versatile and scalable quantum networks.

Hu, Jierui [Univ. of Illinois at Urbana-Champaign,↗

Network bandwidth utilization forecast model on high bandwidth networks

With the increasing number of geographically distributed scientific collaborations and the scale of the data size growth, it has become more challenging for users to achieve the best possible network performance on a shared network. We have developed a forecast model to predict expected bandwidth utilization for high-bandwidth wide area network. The forecast model can improve the efficiency of resource utilization and scheduling data movements on high-bandwidth network to accommodate ever increasing data volume for large-scale scientific data applications. Univariate model is developed with STL and ARIMA on SNMP path utilization data. Compared with traditional approach such as Box-Jenkins methodology, our forecast model reduces computation time by 83.2%. It also shows resilience against abrupt network usage change. The accuracy of the forecast model is within the standard deviation of the monitored measurements.

97 MATHEMATICS AND COMPUTING↗

Network Bandwidth Utilization Forecast Model on High Bandwidth Network

With the increasing number of geographically distributed scientific collaborations and the scale of the data size growth, it has become more challenging for users to achieve the best possible network performance on a shared network. We have developed a forecast model to predict expected bandwidth utilization for high-bandwidth wide area network. The forecast model can improve the efficiency of resource utilization and scheduling data movements on high-bandwidth network to accommodate ever increasing data volume for large-scale scientific data applications. Univariate model is developed with STL and ARIMA on SNMP path utilization data. Compared with traditional approach such as Box-Jenkins methodology, our forecast model reduces computation time by 83.2percent. It also shows resilience against abrupt network usage change. The accuracy of the forecast model is within the standard deviation of the monitored measurements.

97 MATHEMATICS AND COMPUTING↗

ChemComp: Compiling and Computing with Chemical Reaction Networks

The exponential growth in computing demands driven by scientific computing, data analytics, and artificial intelligence is pushing conventional CMOS-based high-performance computing systems to their physical and energy efficiency limits. As we approach the era of post-exascale computing, disruptive approaches are necessary to overcome these barriers and achieve substantial gains in energy efficiency. Analog and hybrid digital-analog computing systems have emerged as promising alternatives, offering the potential for orders-of-magnitude improvements in efficiency. Among these, biochemical computing stands out as a novel paradigm capable of leveraging the natural efficiency of chemical reactions, which have shown promise in solving optimization problems by converging to steady states. By scaling up reaction networks or reaction vessel sizes, biochemical systems present an opportunity to meet the high-performance demands of modern computing tasks. Despite their promise, significant theoretical and practical challenges remain, particularly in formulating and mapping computational problems to chemical reaction networks (CRNs) and designing viable biochemical computing devices. This paper addresses these challenges by introducing new ideas to ChemComp, a compilation and emulation framework for chemical computation. This work describes the mechanisms through which solutions to ordinary differential equations (ODEs) that can be represented as CRN systems can be achieved. Furthermore, we explain the design principles of an ODE dialect implemented as a multi-level intermediate representation (MLIR) compiler extension that will be coupled with existing infrastructure. We demonstrate the potential of our framework through a case study emulating a simplified chemical reservoir computing device. This work establishes foundational tools and methodologies necessary to harness the computational power of chemistry, paving the way for the development of energy-efficient, high-performance computing systems tailored to contemporary and future computational needs.

Bohm Agostini, Nicolas↗

A survey of techniques for optimizing transformer inference

Recent years have seen a phenomenal rise in the performance and applications of transformer neural networks. The family of transformer networks, including Bidirectional Encoder Representations from Transformer (BERT), Generative Pretrained Transformer (GPT) and Vision Transformer (ViT), have shown their effectiveness across Natural Language Processing (NLP) and Computer Vision (CV) domains. Transformer-based networks such as ChatGPT have impacted the lives of common men. However, the quest for high predictive performance has led to an exponential increase in transformers' memory and compute footprint. Researchers have proposed techniques to optimize transformer inference at all levels of abstraction. Further, this paper presents a comprehensive survey of techniques for optimizing the inference phase of transformer networks. We survey techniques such as knowledge distillation, pruning, quantization, neural architecture search and lightweight network design at the algorithmic level. We further review hardware-level optimization techniques and the design of novel hardware accelerators for transformers. We summarize the quantitative results on the number of parameters/FLOPs and the accuracy of several models/techniques to showcase the tradeoff exercised by them. We also outline future directions in this rapidly evolving field of research. We believe that this survey will educate both novice and seasoned researchers and also spark a plethora of research efforts in this field.

97 MATHEMATICS AND COMPUTING↗

Microscopy Studies of the Catalyst Inks for PEM Fuel Cells

The microstructure of the catalyst layer in proton exchange membrane fuel cells (PEMFC) is one of the key factors that determine fuel cell performance. The ink preparation, including dispersion solvent, mixing time, and mixing power, are among the less reported parameters that would influence the ionomer distribution on the catalyst surface and the continuity of the carbon network. In this work, novel characterization approaches have been used to investigate the effect of the Pt/C catalyst ink preparation conditions on the morphology and structures of the catalyst layer. Microscopy analysis revealed that longer mixing time led to better performing electrode structures than shorter mixing time. The longer mixing time enabled improved continuity of the ionomer network and high porosity in the cathode layer that contributes to improved proton conductivity and mass transport. This has been reflected in performance and durability tests, where the electrode made from a 5-day catalyst ink displayed improved performance compared to the one made from a 3-day ink. Durability studies showed 26% and 43% loss of the initial mass activity for 5 days and 3 days mixing, respectively. Finally, in addition, the catalyst layer prepared with ethylene glycol as the dispersion solvent showed better durability than water/1-propanol based solution.

25 ENERGY STORAGE↗

HPC-NMF: A High-Performance Parallel Algorithm for Nonnegative Matrix Factorization

NMF is a useful tool for many applications in different domains such as topic modeling in text mining, background separation in video analysis, and community detection in social networks. Despite its popularity in the data mining community, there is a lack of efficient distributed algorithms to solve the problem for big data sets. We propose a high-performance distributed-memory parallel algorithm that computes the factorization by iteratively solving alternating non-negative least squares (NLS) subproblems for $\WW$ and $\HH$. It maintains the data and factor matrices in memory (distributed across processors), uses MPI for interprocessor communication, and, in the dense case, provably minimizes communication costs (under mild assumptions). As opposed to previous implementation, our algorithm is also flexible: It performs well for both dense and sparse matrices, and allows the user to choose any one of the multiple algorithms for solving the updates to low rank factors $\WW$ and $\HH$ within the alternating iterations.

Kannan, Ramakrishnan↗

Defect Diffusion Graph Neural Networks for Materials Discovery in High-Temperature Energy Applications

Here, the migration of crystallographic defects dictates material properties and performance for a plethora of technological applications. Density functional theory (DFT)-based nudged elastic band (NEB) calculations are a powerful computational technique for predicting defect migration activation energy barriers, yet they become prohibitively expensive for high-throughput screening of defect diffusivities. Without introducing hand-crafted (i.e., chemistry- or structure-specific) descriptors, we propose a generalized deep learning approach to train surrogate models for NEB energies of vacancy migration by hybridizing graph neural networks with transformer encoders and simply using pristine host structures as input. With sufficient training data, computationally efficient and simultaneous inference of vacancy defect thermodynamics and migration activation energies can be obtained to compute temperature-dependent vacancy diffusivities and to down-select candidates for more thorough DFT analysis or experiments. Thus, as we specifically demonstrate for potential water-splitting materials, candidates with desired defect thermodynamics, kinetics, and host stability properties can be more rapidly targeted from open-source databases of experimentally validated or hypothetical materials.

14 SOLAR ENERGY↗