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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 973 records · Page 54

Emulation of Synaptic Plasticity in WO 3 ‐Based Ion‐Gated Transistors

Neuromorphic systems, inspired by the human brain, promise significant advancements in computational efficiency and power consumption by integrating processing and memory functions, thereby addressing the von Neumann bottleneck. This paper explores the synaptic plasticity of a WO3-based ion-gated transistor (IGT) in [EMIM][TFSI] and a 0.1 mol L −1 LiTFSI in [EMIM][TFSI] for neuromorphic computing applications. Cyclic voltammetry (CV), transistor characteristics, and atomic force microscopy (AFM) force–distance (FD) profiling analyses reveal that Li + brings about ion intercalation, together with higher mobility and conductance, and slower response time (τ). WO 3 IGTs exhibit spike amplitude-dependent plasticity (SADP), spike number-dependent plasticity (SNDP), spike duration-dependent plasticity (SDDP), frequency-dependent plasticity (FDP), and paired-pulse facilitation (PPF), which are all crucial for mimicking biological synaptic functions and understanding how to achieve different types of plasticity in the same IGT. The findings underscore the importance of selecting the appropriate ionic medium to optimize the performance of synaptic transistors, enabling the development of neuromorphic systems capable of adaptive learning and real-time processing, which are essential for applications in artificial intelligence (AI).

36 MATERIALS SCIENCE↗

Diagnostics of Mixed-State Topological Order and Breakdown of Quantum Memory

Topological quantum memory can protect information against local errors up to finite error thresholds. Such thresholds are usually determined based on the success of decoding algorithms rather than the intrinsic properties of the mixed states describing corrupted memories. Here we provide an intrinsic characterization of the breakdown of topological quantum memory, which both gives a bound on the performance of decoding algorithms and provides examples of topologically distinct mixed states. We employ three information-theoretical quantities that can be regarded as generalizations of the diagnostics of ground-state topological order, and serve as a definition for topological order in error-corrupted mixed states. We consider the topological contribution to entanglement negativity and two other metrics based on quantum relative entropy and coherent information. In the concrete example of the two-dimensional (2D) Toric code with local bit-flip and phase errors, we map three quantities to observables in 2D classical spin models and analytically show they all undergo a transition at the same error threshold. This threshold is an upper bound on that achieved in any decoding algorithm and is indeed saturated by that in the optimal decoding algorithm for the Toric code. Published by the American Physical Society 2024

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Processability and Material Behavior of NiTi Shape Memory Alloys Using Wire Laser-Directed Energy Deposition (WL-DED)

Utilizing additive manufacturing (AM) techniques with shape memory alloys (SMAs) like NiTi shows great promise for fabricating highly flexible and functionally superior 3D metallic structures. Compared to methods relying on powder feedstocks, wire-based additive manufacturing processes provide a viable alternative, addressing challenges such as chemical composition instability, material availability, higher feedstock costs, and limitations on part size while simplifying process development. This study presented a novel approach by thoroughly assessing the printability of Ni-rich Ni55.94Ti (Wt. %) SMA using the wire laser-directed energy deposition (WL-DED) technique, addressing the existing knowledge gap regarding the laser wire-feed metal additive manufacturing of NiTi alloys. For the first time, the impact of processing parameters—specifically laser power (400–1000 W) and transverse speed (300–900 mm/min)—on single-track fabrication using NiTi wires in the WL-DED process was examined. An optimal range of process parameters was determined to achieve high-quality prints with minimal defects, such as wire dripping, stubbing, and overfilling. Building upon these findings, we printed five distinct cubes, demonstrating the feasibility of producing nearly porosity-free specimens. Notably, this study investigated the effect of energy density on the printed part density, impurity pick-up, transformation temperature, and hardness of the manufactured NiTi cubes. The results from the cube study demonstrated that varying energy densities (46.66–70 J/mm3) significantly affected the quality of the deposits. Lower to intermediate energy densities achieved high relative densities (>99%) and favorable phase transformation temperatures. In contrast, higher energy densities led to instability in melt pool shape, increased porosity, and discrepancies in phase transformation temperatures. These findings highlighted the critical role of precise parameter control in achieving functional NiTi parts and offer valuable insights for advancing AM techniques in fabricating larger high-quality NiTi components. Additionally, our research highlighted important considerations for civil engineering applications, particularly in the development of seismic dampers for energy dissipation in structures, offering a promising solution for enhancing structural performance and energy management in critical infrastructure.

Dabbaghi, Hediyeh↗

An analysis of image storage systems for scalable training of deep neural networks

This study presents a principled empirical evaluation of image storage systems for training deep neural networks. We employ the Caffe deep learning framework to train neural network models for three different data sets, MNIST, CIFAR-10, and ImageNet. While training the models, we evaluate five different options to retrieve training image data: (1) PNG-formatted image files on local file system; (2) pushing pixel arrays from image files into a single HDF5 file on local file system; (3) in-memory arrays to hold the pixel arrays in Python and C++; (4) loading the training data into LevelDB, a log-structured merge tree based key-value storage; and (5) loading the training data into LMDB, a B+tree based key-value storage. The experimental results quantitatively highlight the disadvantage of using normal image files on local file systems to train deep neural networks and demonstrate reliable performance with key-value storage based storage systems. When training a model on the ImageNet dataset, the image file option was more than 17 times slower than the key-value storage option. Along with measurements on training time, this study provides in-depth analysis on the cause of performance advantages/disadvantages of each back-end to train deep neural networks. We envision the provided measurements and analysis will shed light on the optimal way to architect systems for training neural networks in a scalable manner.

Lim, Seung-Hwan↗

Atomic scale insight into the amorphous structure of Cu doped GeTe phase-change material

GeTe shows promising application as a recording material for phase-change nonvolatile memory due to its fast crystallization speed and extraordinary amorphous stability. To further improve the performance of GeTe, various transition metals, such as copper, have been doped in GeTe in recent works. However, the effect of the doped transition metals on the stability of amorphous GeTe is not known. Here, we shed light on this problem for the system of Cu doped GeTe by means of ab initio molecular dynamics calculations. Our results show that the doped Cu atoms tend to agglomerate in amorphous GeTe. Further, base on analyzing the pair correlation functions, coordination numbers and bond angle distributions, remarkable changes in the local structure of amorphous GeTe induced by Cu are obviously seen. The present work may provide some clues for understanding the effect of early transition metals on the local structure of amorphous phase-change compounds, and hence should be helpful for optimizing the structure and performance of phase-change materials by doping transition metals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Development of Efficient Process for Manufacturing of Thermoplastic Composites with Tailored Properties (CRADA 511)

This is a collaborative effort between Battelle Memorial Institute as manager and operator of Pacific Northwest National Laboratory (PNNL) and ESI North America Inc. (“ESI” or “Participant”) to apply computation and data analytics to the challenge of light weighting with a focus on the battery enclosures of electric vehicles (EVs). EVs use heavy batteries to increase range and power. A complex-shaped battery enclosure is required to meet a host of challenging performance requirements. The ability to virtually develop composite parts such as battery enclosure with tailored properties to meet required performance will be highly valuable to the automotive industry. However, efficient simulation of composite-manufacturing processes remains a challenging issue since simulation involves multiscale models in space and time, highly non-linear and anisotropic behavior, strongly coupled multi-physics, and complex geometries. This work will advance the state of the art by reducing the computational burden of composite optimization by using simulation data from a limited number of configurations off-line and then developing a reduced order model (ROM) using data analytics and machine learning (ML). Develop a data driven approach to link features of the material and manufacturing processes to the mechanical properties of thermoplastic composite parts.

42 ENGINEERING↗

Neural correspondence to spectrum of environmental uncertainty in multiple-cue probability judgment system with time delay

Despite state-of-the-art technologies like artificial intelligence, human judgment is critically essential in cooperative systems, such as the multi-agent system (MAS), which collect information among agents based on multiple-cue judgment. Human agents can prevent impaired situational awareness of automated agents by confirming situations under environmental uncertainty. System error caused by uncertainty can result in an unreliable system environment, and this environment affects the human agent, resulting in non-optimal decision-making in MAS. Thus, it is necessary to know how human behavior is changed to capture system reliability under uncertainty. Another issue affecting MAS is time delay, which can delay agent information transfer, resulting in low performance and instability. However, it is difficult to find studies on the influence of time delay on human agents. This study is about understanding the human decision-making process under a specific system reliability environment by uncertainty with time delay. We used concepts of expected and unexpected uncertainty to implement reliability of the system usage environment with three types of time delay conditions: no time delay, regular time delay, and irregular time delay conditions. We used electroencephalogram (EEG) for human cognitive neural mechanisms in multiple-cue judgment systems to understand human decision-making. In the reliability of system usage environment, the unreliable system environment significantly creates less memory load by less utilization of system rules for decision-making. In terms of time delay, delayed information delivery does not significantly affect memory load for decision-making.

cognitive process↗

Testing of the Authenticatable Container Tracking System (ACTS)

The Authenticatable Container Tracking System (ACTS) is being designed to provide a secure container tag that can be used to optimize chain-of-custody monitoring for packaged nuclear materials as they are being stored, processed, and transported. ACTS is an active device that uses an almost-universal core platform that can be appropriately configured to provide the necessary data acquisition, data logging, and communications functions needed for 21st century material accountancy, monitoring, and tracking applications. The core design supports active monitoring of containment, movement, and location and provides secure data transmission via selectable communication methods that can be used throughout the world. This core architecture enables appropriately designed modules to be easily interfaced to the basic system, thus providing an integration path for current and new technologies. ACTS contains a built-in set of sensors but also supports an expansion bus for up to six additional communications, tracking, or sensing modules that may enhance monitoring and tracking of particular containers for specific applications. ACTS stores events in memory, communicates activity to Argonne National Laboratory’s ARG-US TransPort tracking and information server, and provides options for data encryption and authentication. We are currently beginning a testing phase that will field five devices outdoors in a controlled environment to allow evaluation of the functionality of the systems and the hardness of the devices to outdoor conditions. Partners for this system are Oak Ridge National Laboratory, Argonne National Laboratory, Savannah River National Laboratory, Pacific Northwest National Laboratory, and commercialization partner The Aquila Group.

Britton Jr, Chuck↗

Using Formal Grammars to Predict I/O Behaviors in HPC: The Omnisc'IO Approach

The increasing gap between the computation performance of post-petascale machines and the performance of their I/O subsystem has motivated many I/O optimizations including prefetching, caching, and scheduling. In order to further improve these techniques, modeling and predicting spatial and temporal I/O patterns of HPC applications as they run has become crucial. In this paper we present Omnisc'IO, an approach that builds a grammar-based model of the I/O behavior of HPC applications and uses it to predict when future I/O operations will occur, and where and how much data will be accessed. To infer grammars, Omnisc'IO is based on StarSequitur, a novel algorithm extending Nevill-Manning's Sequitur algorithm. Omnisc'IO is transparently integrated into the POSIX and MPI I/O stacks and does not require any modification in applications or higher-level I/O libraries. It works without any prior knowledge of the application and converges to accurate predictions of any N future I/O operations within a couple of iterations. Its implementation is efficient in both computation time and memory footprint.

97 MATHEMATICS AND COMPUTING↗

A High Performance Block Eigensolver for Nuclear Configuration Interaction Calculations

As on-node parallelism increases and the performance gap between the processor and the memory system widens, achieving high performance in large-scale scientific applications requires an architecture-aware design of algorithms and solvers. We focus on the eigenvalue problem arising in nuclear Configuration Interaction (CI) calculations, where a few extreme eigenpairs of a sparse symmetric matrix are needed. Here, we consider a block iterative eigensolver whose main computational kernels are the multiplication of a sparse matrix with multiple vectors (SpMM), and tall-skinny matrix operations. We then present techniques to significantly improve the SpMM and the transpose operation SpMM T by using the compressed sparse blocks (CSB) format. We achieve 3-4× speedup on the requisite operations over good implementations with the commonly used compressed sparse row (CSR) format. We develop a performance model that allows us to correctly estimate the performance of our SpMM kernel implementations, and we identify cache bandwidth as a potential performance bottleneck beyond DRAM. We also analyze and optimize the performance of LOBPCG kernels (inner product and linear combinations on multiple vectors) and show up to 15× speedup over using high performance BLAS libraries for these operations. The resulting high performance LOBPCG solver achieves 1.4× to 1.8× speedup over the existing Lanczos solver on a series of CI computations on high-end multicore architectures (Intel Xeons). We also analyze the performance of our techniques on an Intel Xeon Phi Knights Corner (KNC) processor.

97 MATHEMATICS AND COMPUTING↗

Large Ensemble Particle Filter for Spatial Climate Reconstructions Using a Linear Inverse Model

Proxy records that document the last 2000 years of climate provide evidence for the wide range of the natural climate variability from inter-annual to secular timescales not captured by the short window of recent direct observations. Assessing climate models ability to reproduce such natural variations is crucial to understand climate sensitivity and impacts of future climate change. Paleoclimate data assimilation (PDA) offers a powerful way to extend the short instrumental period by optimally combining the physics described by General Circulation Climate Models (GCMs) with information from available proxy records while taking into account their uncertainties. Here we present a new PDA approach based on a sequential importance resampling (SIR) Particle filter (PF) that uses Linear Inverse Modeling (LIM) as an emulator of several CMIP-class GCMs. We examine in a perfect-model framework the skill of the various LIMs to forecast the dynamics of the surface temperatures and provide spatial field reconstructions over the last millennium in a SIR PF. Our results show that the LIMs allow for skillful ensemble forecasts at 1-year lead-time based on GCMs dynamical knowledge with best prediction in the tropics and the North Atlantic. The PDA further provides a set of physically consistent spatial fields allowing robust uncertainty quantification related to climate models biases and proxy spatial sampling. Our results indicate that the LIM yields dynamical memory improving climate variability reconstructions and support the use of the LIM as a GCM-emulator in real reconstruction to propagate large ensembles of particles at low cost in SIR PF.

54 ENVIRONMENTAL SCIENCES↗

Learning efficient erasure protocols for an underdamped memory

Here we apply evolutionary reinforcement learning to a simulation model to identify efficient time-dependent erasure protocols for a physical realization of a 1-bit memory using an underdamped mechanical cantilever. We show that these protocols, when applied to the cantilever in the laboratory, are considerably more efficient than our best hand-designed protocols. The learned protocols allow reliable high-speed erasure by minimizing the heating of the memory during its operation. More generally, the combination of methods used here opens the door to the rational design of efficient protocols for various physics applications.

74 ATOMIC AND MOLECULAR PHYSICS↗

Review of Graph Databases for Big Data Dynamic Entity Scoring

Modeling data as a graph enables users to quickly analyze networked phenomenon, such as social network-based marketing data (e.g., linking entities in social media based on their friends and their "likes", their friend-of-a-friend's "likes", etc.) and scientific data, such as in biology to assess a gene's proximity in a graph to particular disease phenotype. Numerous purpose-built graph databases (DBs) called “NoSQL” or “Not Only SQL” DBs are emerging to support this type of graph analysis. These DBs differ from traditional relational DBs in that they are optimized to improve storage and query performance across large, complex graphs. This document reviews the state of the art in graph DBs and identifies potential DBs that show promise for dynamic entity-scoring algorithms. Dynamic entity scoring is a new area of research that allows analysis of data within graphs using undirected methods to weigh the edges of the graph based on the proximity or ambient influence of near-by nodes. The EntityScore (eScore) methodology developed at Lawrence Livermore National Laboratory (LLNL) is one application of these emerging graph-analysis algorithms to help analysts identify and prioritize entities, based on complex, analyst-defined weighting criteria. Our review examines a wide range of different, well-known graph DBs in use since at least 2010 and identifies unique advantages and disadvantages that may impact eScore-specific requirements. Specifically, we review data structures employed, query features employed, load times, query calculation times, memory usage and several other important attributes reported in the literature. We limited our considerations for eScore to Blueprints-compliant graph DBs (https://github.com/tinkerpop/blueprints/) because they provide a standard, java application programming interface (API) based on the property graph model.

42 ENGINEERING↗

Higher Ion Selectivity with Lower Energy Usage Promoted by Electro-osmotic Flow in the Transport through Conical Nanopores

The tradeoff between selectivity and throughput presents fundamental challenges to improve desalination and charge storage, salinity gradient-based energy harvesting, memory device/circuit development, and so forth. The well-known ion-current rectification and the recently resolved time-dependent transport hysteresis in conical nanopores or asymmetric nanointerfaces offer new opportunities for the selective transport of matter. This report shows that electro-osmotic flow (EOF) is an overlooked factor that increases ion selectivity while maintaining enhanced transport throughput in rectified nanoscale electrokinetic transport. The increased selectivity originates primarily from the suppression of anion flux by the fluid flow in the opposite direction under the applied electrical field. By solving the Poisson and Nernst–Planck (PNP) equations without and with coupled Navier–Stokes (PNP–NS) equations, the EOF effects on cation and anion transport are unequivocally revealed in asymmetric nanopipettes. The flux of cations and anions as well as the transference number and flow velocity are elucidated using the models and boundary conditions validated by previous experiments. A dimensionless parameter, radius over the Debye length, reveals optimal ion selectivity and energy cost at intermediate ion concentrations and nanopore sizes, up to hundreds of millimolars and tens of nanometers under time-dependent potential stimulus. Furthermore, the fundamental insights into EOF at nanointerfaces suggest new routes/strategies for better separation, analysis, and energy applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Pairwise connected tensor network representation of path integrals

It has been recently shown how the tensorial nature of real-time path integrals (PIs) involving the Feynman-Vernon influence functional can be utilized with matrix product states, taking advantage of the finite length of the bath-induced memory. Tensor networks (TNs) promise to provide a unified language to express the structure of a PI. A generalized TN specifically incorporating the pairwise interaction structure of the influence functional and its invariance with respect to the average forward-backward position or the sojourn value in the form of the blip representation is derived and implemented. This pairwise connected TNPI (PC-TNPI) is illustrated through applications to typical spin-boson problems and explorations of the differences caused by the exact form of the spectral density. The storage and performance scalings are reported, showing the compactness of the representation and the efficiency of the contraction process. Finally, taking advantage of the compressed representation, the viability of using PC-TNPI for simulating multistate problems is demonstrated. The PC-TNPI structure can be shown to yield other TN algorithms currently in use. Consequently, it should be possible to use it as a starting point for deriving other optimized procedures.

36 MATERIALS SCIENCE↗

Using Machine Learning to Predict Future Temperature Outputs in Geothermal Systems

Optimizing the power output, and economic value, of geothermal power plants over decades of operation is a major challenge in renewable energy. Optimizing the output requires the ability to predict the mass flow rates and the output temperatures of production wells based on the inputs of injection wells, as well as the time history of the system. Machine Learning (ML) that incorporates the known physics of geothermal systems is one possible solution to this challenge. In this work, we explore the ability of ML algorithms to predict future temperature outputs based on historical data. Considering the challenges with obtaining an empirical dataset from field data that is large enough to enable reliable ML, we propose an alternate approach: developing a high-fidelity reservoir model and using computational resources to build a dataset that enables ML. As a first step towards achieving this goal, we present preliminary results from applying ML to predict the temperature timeseries of simple modeled geothermal systems. We describe the application of relevant state-of-the-art ML approaches, such as the Long Short-Term Memory (LSTM) networks and Convolutional Neural Networks (CNN), to extract temporal structures in the model data. We assess the accuracy of the forecasts we obtain, compare the selected approaches, and share the lessons learned that would inform the process of training and utilizing ML algorithms for larger and more complex geothermal systems.

GEOTHERMAL ENERGY↗