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At least 181 records · Page 10

All sources NASA NTRS DOE OSTI

DOE OSTI2020

Examination of Global Midlatitude Atmospheric River Lifecycles Using an Object-Oriented Methodology

Tracking atmospheric rivers (ARs) across their lifecycles is a field of recent interest with a multitude of emerging methodologies. The CONNected-objECT (CONNECT) algorithm is adapted for the tracking of global midlatitude AR lifecycles and associated precipitation by implementing a seeded region growing segmentation algorithm, creating the AR-CONNECT algorithm. To facilitate the permissiveness of the methodology, AR-CONNECT is without hard-coded geometric criteria yet is still shown to extract synoptic-scale elongated objects >99.99% of the time. One of the consequences of the methodology is the ability to occasionally track atmospheric water vapor anomalies before evolving into AR geometries, effectively tracking AR genesis further back than other studies. With the aid of subdaily satellite-derived rain data, we investigate the climatology, trends, and patterns of AR lifecycles from 1983–2016 and compare with other AR tracking studies. We find that AR frequency, genesis, and terminus locations are in generally good agreement with other AR tracking methodologies, though with key differences, and that AR frequencies in each hemisphere are determined by the number of AR hotspots. Furthermore, we uncover evidence that certain AR characteristics, such as frequency, areal extent, and duration, show evidence of increasing trends. Midlatitude precipitation uncovered by AR-CONNECT shows contributions up to 50% over land and 65% over the ocean. Trend analysis of AR precipitation shows an increase in precipitation associated with ARs propagated by the Southern Jet Stream and ARs that traverse over the Sahara Desert, among others, but is determined not to be a driver of changes in global precipitation.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Improving the Quasi‐Biennial Oscillation via a Surrogate‐Accelerated Multi‐Objective Optimization

Accurate simulation of the quasi-biennial oscillation (QBO) is challenging due to uncertainties in representing convectively generated gravity waves. We develop an end-to-end uncertainty quantification workflow that calibrates these gravity wave processes in E3SM for a realistic QBO. Central to our approach is a domain knowledge-informed, compressed representation of high-dimensional spatio-temporal wind fields. By employing a parsimonious statistical model that learns the fundamental frequency from complex observations, we extract interpretable and physically meaningful quantities capturing key attributes. Building on this, we train a probabilistic surrogate model that approximates the fundamental characteristics of the QBO as functions of critical physics parameters governing gravity wave generation. Leveraging the Karhunen–Loève decomposition, our surrogate efficiently represents these characteristics as a set of orthogonal features, capturing cross-correlations among multiple physics quantities evaluated at different pressure levels and enabling rapid surrogate-based inference at a fraction of the computational cost of full-scale simulations. Finally, we analyze the inverse problem using a multi-objective approach. Our study reveals a tension between amplitude and period that constrains the QBO representation, precluding a single optimal solution. To navigate this, we quantify the bi-criteria trade-off and generate a set of Pareto optimal parameter values that balance the conflicting objectives. This integrated workflow improves the fidelity of QBO simulations and offers a versatile template for uncertainty quantification in complex geophysical models.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

A nearby long gamma-ray burst from a merger of compact objects

Gamma-ray bursts (GRBs) are flashes of high-energy radiation arising from energetic cosmic explosions. Bursts of long (greater than two seconds) duration are produced by the core-collapse of massive stars, and those of short (less than two seconds) duration by the merger of compact objects, such as two neutron stars. A third class of events with hybrid high-energy properties was identified, but never conclusively linked to a stellar progenitor. The lack of bright supernovae rules out typical core-collapse explosions, but their distance scales prevent sensitive searches for direct signatures of a progenitor system. Only tentative evidence for a kilonova has been presented. Here we report observations of the exceptionally bright GRB 211211A, which classify it as a hybrid event and constrain its distance scale to only 346 megaparsecs. Our measurements indicate that its lower-energy (from ultraviolet to near-infrared) counterpart is powered by a luminous (approximately 10 42 erg per second) kilonova possibly formed in the ejecta of a compact object merger.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

DefectTrack: a deep learning-based multi-object tracking algorithm for quantitative defect analysis of in-situ TEM videos in real-time

Abstract In-situ irradiation transmission electron microscopy (TEM) offers unique insights into the millisecond-timescale post-cascade process, such as the lifetime and thermal stability of defect clusters, vital to the mechanistic understanding of irradiation damage in nuclear materials. Converting in-situ irradiation TEM video data into meaningful information on defect cluster dynamic properties (e.g., lifetime) has become the major technical bottleneck. Here, we present a solution called the DefectTrack , the first dedicated deep learning-based one-shot multi-object tracking (MOT) model capable of tracking cascade-induced defect clusters in in-situ TEM videos in real-time. DefectTrack has achieved a Multi-Object Tracking Accuracy (MOTA) of 66.43% and a Mostly Tracked (MT) of 67.81% on the test set, which are comparable to state-of-the-art MOT algorithms. We discuss the MOT framework, model selection, training, and evaluation strategies for in-situ TEM applications. Further, we compare the DefectTrack with four human experts in quantifying defect cluster lifetime distributions using statistical tests and discuss the relationship between the material science domain metrics and MOT metrics. Our statistical evaluations on the defect lifetime distribution suggest that the DefectTrack outperforms human experts in accuracy and speed.

42 ENGINEERING↗

DOE OSTI2022

Multi-objective goal-directed optimization of de novo stable organic radicals for aqueous redox flow batteries

Abstract Advances in the field of goal-directed molecular optimization offer the promise of finding feasible candidates for even the most challenging molecular design applications. One example of a fundamental design challenge is the search for novel stable radical scaffolds for an aqueous redox flow battery that simultaneously satisfy redox requirements at the anode and cathode, as relatively few stable organic radicals are known to exist. To meet this challenge, we develop a new open-source molecular optimization framework based on AlphaZero coupled with a fast, machine-learning-derived surrogate objective trained with nearly 100,000 quantum chemistry simulations. The objective function comprises two graph neural networks: one that predicts adiabatic oxidation and reduction potentials and a second that predicts electron density and local three-dimensional environment, previously shown to be correlated with radical persistence and stability. With no hard-coded knowledge of organic chemistry, the reinforcement learning agent finds molecule candidates that satisfy a precise combination of redox, stability and synthesizability requirements defined at the quantum chemistry level, many of which have reasonable predicted retrosynthetic pathways. The optimized molecules show that alternative stable radical scaffolds may offer a unique profile of stability and redox potentials to enable low-cost symmetric aqueous redox flow batteries.

25 ENERGY STORAGE↗

DOE OSTI2020

dCache – Efficient Message Encoding For Inter-Service Communication in dCache: Evaluation of Existing Serialization Protocols as a Replacement for Java Object Serialization

As a well established, large-scale distributed storage system, dCache is used to manage and serve huge amounts of data collected by high energy physics, astrophysics and photon science experiments. Based on a microservices-like architecture, dCache is built as a modular distributed system, where each component provides a different core functionality. These services communicate by passing serialized messages to each other, a core behavior whose performance properties can consequently affect the entire system.This paper compares and evaluates different data serialization protocols in computer science with the objective of replacing and improving upon Java Object Serialization (JOS), which has increasingly presented itself as no longer being sufficiently performant for encoding messages. The criteria for choosing a new framework are collected, analyzed and formalized. The primary motivation for replacing Java serialization for encoding dCache messages is increasing the general speed of message-passing and thereby reducing the round-trip time for user requests. Emphasis is also placed on schema evolution capabilities and framework usability. Approaches for generalizing (de)serialization speed and size measurements based on data structure complexity are introduced, criteria for measuring documentation, learning curve, maintainability and introduction effort are defined. Finally, several selected serialization protocols are evaluated and compared accordingly, concluding with a recommendation for a suitable JOS replacement.

Morschel, Lea↗

DOE OSTI2021

Multi-objective Bayesian optimization of ferroelectric materials with interfacial control for memory and energy storage applications

Optimization of materials’ performance for specific applications often requires balancing multiple aspects of materials’ functionality. Even for the cases where a generative physical model of material behavior is known and reliable, this often requires search over multidimensional function space to identify low-dimensional manifold corresponding to the required Pareto front. In this work, we introduce the multi-objective Bayesian optimization (MOBO) workflow for the ferroelectric/antiferroelectric performance optimization for memory and energy storage applications based on the numerical solution of the Ginzburg–Landau equation with electrochemical or semiconducting boundary conditions. MOBO is a low computational cost optimization tool for expensive multi-objective functions, where we update posterior surrogate Gaussian process models from prior evaluations and then select future evaluations from maximizing an acquisition function. Using the parameters for a prototype bulk antiferroelectric (PbZrO 3 ), we first develop a physics-driven decision tree of target functions from the loop structures. We further develop a physics-driven MOBO architecture to explore multidimensional parameter space and build Pareto-frontiers by maximizing two target functions jointly—energy storage and loss. This approach allows for rapid initial materials and device parameter selection for a given application and can be further expanded toward the active experiment setting. The associated notebooks provide both the tutorial on MOBO and allow us to reproduce the reported analyses and apply them to other systems (https://github.com/arpanbiswas52/MOBO_AFI_Supplements).

36 MATERIALS SCIENCE↗

DOE OSTI2022

Fused x-ray and fast neutron CT reconstruction for imaging large and dense objects

Megavolt x-ray computed tomography (CT) is a powerful tool for three-dimensional characterization. However, its utility is limited for large objects composed of high-atomic number (Z) materials, where x rays fail to penetrate. Information from fast neutron CT (FNCT) can complement x-ray CT reconstructions since fast neutrons can more readily penetrate high-Z objects. In this work, we demonstrate a method for combining FNCT and x-ray CT data to create a single reconstruction, more accurate than could be achieved with either x rays or fast neutrons alone. The algorithm was tested on an exemplar comprising multiple concentric, nested cylinders of different materials. Simulated and empirical x-ray CT data were acquired for the exemplar using a 9 MV bremsstrahlung spectrum. Additional simulated and empirical FNCT data were acquired using an accelerator based fast neutron source. The FNCT data were used to synthesize x-ray CT data and augment the x-ray CT data missing due to lack of penetration. This approach mitigates artifacts that would otherwise negatively affect the accuracy and resolution of a single-modality reconstructed volume.

47 OTHER INSTRUMENTATION↗

DOE OSTI2025

Global stellarator coil optimization with quadratic constraints and objectives

Most present stellarator designs are produced by costly two-stage optimization: the first for an optimized equilibrium, and the second for a coil design reproducing its magnetic configuration. Few proxies for coil complexity and forces exist at the equilibrium stage. Rapid initial state finding for both stages is a topic of active research. Most present convex coil optimization codes use the least square winding surface method by Merkel (NESCOIL), with recent improvements in conditioning, regularization, sparsity, and physics objectives. While elegant, the method is limited to modeling the norms of linear functions in coil current. We present QUADCOIL, a global coil optimization method that targets combinations of linear and quadratic functions of the current. It can directly constrain and/or minimize a wide range of physics objectives unavailable in NESCOIL and REGCOIL, including the Lorentz force, magnetic energy, curvature, field-current alignment, and the maximum density of a dipole array. QUADCOIL requires no initial guess and runs nearly $10$ 2 x faster than filament optimization. Integrating it in the equilibrium optimization stage can potentially exclude equilibria with difficult-to-design coils, without significantly increasing the computation time per iteration. QUADCOIL finds the exact, global minimum in a large parameter space when possible, and otherwise finds a well-performing approximate global minimum. It supports most regularization techniques developed for NESCOIL and REGCOIL. We demonstrate QUADCOIL’s effectiveness in coil topology control, minimizing non-convex penalties, and predicting filament coil complexity with three numerical examples.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Data imbalance in drug response prediction: multi-objective optimization approach in deep learning setting

Abstract Drug response prediction (DRP) methods tackle the complex task of associating the effectiveness of small molecules with the specific genetic makeup of the patient. Anti-cancer DRP is a particularly challenging task requiring costly experiments as underlying pathogenic mechanisms are broad and associated with multiple genomic pathways. The scientific community has exerted significant efforts to generate public drug screening datasets, giving a path to various machine learning models that attempt to reason over complex data space of small compounds and biological characteristics of tumors. However, the data depth is still lacking compared to application domains like computer vision or natural language processing domains, limiting current learning capabilities. To combat this issue and improves the generalizability of the DRP models, we are exploring strategies that explicitly address the imbalance in the DRP datasets. We reframe the problem as a multi-objective optimization across multiple drugs to maximize deep learning model performance. We implement this approach by constructing Multi-Objective Optimization Regularized by Loss Entropy loss function and plugging it into a Deep Learning model. We demonstrate the utility of proposed drug discovery methods and make suggestions for further potential application of the work to achieve desirable outcomes in the healthcare field.

Biochemistry & Molecular Biology↗

DOE OSTI2021

Three-body capture, ejection, and the demographics of bound objects in binary systems

ABSTRACT We study the capture of light objects of arbitrary velocity by binary systems. Extending results for the capture of comets in the Solar system, we develop a simple geometric characterization of the capture cross-section, leading directly to the distribution of orbital parameters of captured objects. We use the same framework to study the lifetimes of these bound orbits prior to ejection, and find that a simplified version of the Öpik–Arnold approach readily yields a closed-form estimate for the ejection rate that agrees well with numerical experiments. Without any detailed-balance assumptions, our results make manifest the characteristics of close encounters leading to capture and ejection. As an application of our results, we demonstrate the estimation of the equilibrium population of captured dark matter particles in a binary system.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Discovering vanishing objects in POSS I red images using the Virtual Observatory

ABSTRACT In this paper, we report a search for vanishing sources in POSS I red images using virtual observatory (VO) archives, tools, and services. The search, conducted in the framework of the VASCO project, aims at finding POSS I (red) sources not present in recent catalogues like Pan-STARRS DR2 (limiting magnitude r = 21.4) or Gaia EDR3 (limiting magnitude G = 21). We found 298 165 sources visible only in POSS I plates, out of which 288 770 had a cross-match within 5 arcsec in other archives (mainly in the infrared), 189 were classified as asteroids, 35 as variable objects, 3592 as artefacts from the comparison to a second digitization (Supercosmos), and 180 as high proper motion objects without information on proper motion in Gaia EDR3. The remaining unidentified transients (5399) as well as the 172 163 sources not detected in the optical but identified in the infrared regime are available from a VO compliant archive and can be of interest in searches for strong M-dwarf flares, high-redshift supernovae, asteroids, or other categories of unidentified red transients. No point sources were detected by both POSS-I and POSS-II before vanishing, setting the rate of failed supernovae in the Milky Way during 70 yr to less than one in one billion.

Solano, Enrique↗

DOE OSTI2022

Can Thorne-Zytkow objects source GW190814-type events?

The LIGO-Virgo collaboration reported in their third run the coalescence event GW190814 involving a 2.6 M ⊙ object with a 23 M ⊙ black hole. In this article we study the conditions under which Thorne- Zytkow objects (TZOs) can be connected to that type of event. We evaluate first the rate of appearance of TZOs in the local Universe. Under the assumption that TZOs eventually become low mass gap black holes we evaluate how those black holes end up in binaries with other stellar mass black holes and compare to the reported rate for GW190814-type of events (1–23 Gpc –3 yr –1 ). Here, we find that TZOs in dense stellar clusters can not explain the LIGO-Virgo rate without a TZO population in the field providing a dominant contribution. We also find that TZOs formed within hierarchical triple systems in the field with the third more distant star being the progenitor of a stellar mass black hole may be able to give a rate comparable to that of GW190814-type events. In that case, future observations should discover mergers between stellar mass and low mass gap black holes, with the lower mass spanning the entire low mass gap range.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Eavesdropping on the Decohering Environment: Quantum Darwinism, Amplification, and the Origin of Objective Classical Reality

“How much information about a system S can one extract from a fragment F of the environment E that decohered it?” is the central question of Quantum Darwinism. To date, most answers relied on the quantum mutual information of SF, or on the Holevo bound on the channel capacity of F to communicate the classical information encoded in S. Furthermore, these are reasonable upper bounds on what is really needed but much harder to calculate—the accessible information in the fragment F about S. We consider a model based on imperfect c-not gates where all the above can be computed, and discuss its implications for the emergence of objective classical reality. We find that all relevant quantities, such as the quantum mutual information as well as various bounds on the accessible information exhibit similar behavior. In the regime relevant for the emergence of objective classical reality this includes scaling independent of the quality of the imperfect c-not gates or the size of E, and even nearly independent of the initial state of S.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2026

Multi-Objective Boundary Analysis of Discrete and Integrated SiC FET Modular Non-inverting Buck and Boost Converters for Fuel Cell EVs

This paper presents a multi-objective analysis of discrete and integrated SiC FET-based non-inverting buck-boost converter modules for modular fuel cell electric vehicle (EV) systems. Two converter ratings, 60 kW and 90 kW, are evaluated for both implementations, scalable up to 420 kW and 450 kW, respectively. Performance is assessed across efficiency, volumetric and gravimetric power density, cost, thermal stress, and estimated lifetime, where lifetime is derived from SiC FET B10 power-cycling data and junction temperature variations at rated power. A normalized overall performance index combined with a Pareto-boundary framework is used to identify configurations that optimally balance competing objectives. Results show that most configurations lie on the Pareto front, providing balanced trade-offs, while certain high-power discrete (90 kW at 450 kW) and integrated (60 kW at 180−420 kW) configurations are dominated. In general, discrete modules are more favorable for lower-power modular systems due to higher power density and lower cost, whereas integrated modules become more advantageous at higher power levels due to improved thermal behavior and longer lifetime. These findings provide practical design guidance for scalable fuel cell converter architectures and highlight the importance of system-level trade-offs in modular power electronics design.

Asa, Erdem [ORNL] (ORCID:0000000190884812)↗

DOE OSTI2025

A Two-Stage Quantum Reinforcement Learning Method for Multi-Objective Transmission Switching

Multi-objective transmission switching (MO-TS) problems involve the strategic reconfiguration of network topology to simultaneously optimize multiple objectives. As the system scale increases, finding feasible solutions becomes increasingly challenging due to the problem's nonlinearity and high computational complexity. To address these challenges, this paper proposes a two-stage quantum reinforcement learning method that leverages potential quantum advantages for MO-TS. In the first stage, candidate switching lines are identified using a graph-theoretical approach to reduce the problem's dimensionality. The second stage introduces a quantum-classical reinforcement learning framework, where a learnable measurement-based CNN-ResVQC architecture is developed to effectively reduce the input dimension for quantum processing, mitigate vanishing gradients, and enhance trainability while improving the quantum circuit's flexibility in modeling complex decision policies for MO-TS. Numerical studies on IEEE 14-bus, 57-bus, and 118-bus systems demonstrate that the proposed algorithm achieves superior training stability and faster convergence with approximately 1% of the network parameters required by classical algorithms, highlighting its effectiveness, efficiency, and scalability. Furthermore, the practicality is validated through its stable convergence under three common quantum noise channels.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2023

Rapid method for computing the mechanical resonances of irregular objects

A solid object's geometry, density, and elastic moduli completely determine its spectrum of normal modes. Solving the inverse problem—determining a material's elastic moduli given a set of resonance frequencies and sample geometry—relies on the ability to compute resonance spectra accurately and efficiently. Established methods for calculating these spectra are either fast but limited to simple geometries, or are applicable to arbitrarily shaped samples at the cost of being prohibitively slow. Here, we describe a method to rapidly compute the normal modes of irregularly shaped objects using entirely open-source software. Our method's accuracy compares favorably with existing methods for simple geometries and shows a significant improvement in speed over existing methods for irregular geometries.

Acoustics↗

DOE OSTI2023

A Sequential Quadratic Programming Algorithm for Nonsmooth Problems with Upper- ${\boldsymbol{\mathcal{C}^2}}$ Objective

An optimization algorithm for nonsmooth nonconvex constrained optimization problems with upper- ${\boldsymbol{\mathcal{C}^2}}$ objective functions is proposed and analyzed. Upper- ${\boldsymbol{\mathcal{C}^2}}$ is a weakly concave property that exists in difference of convex (DC) functions and arises naturally in many applications, particularly certain classes of solutions to parametric optimization problems e.g., recourse of stochastic programming and projection onto closed sets. The algorithm can be viewed as an extension of sequential quadratic programming (SQP) to nonsmooth problems with upper- ${\boldsymbol{\mathcal{C}^2}}$ objectives or a simplified bundle method. It is globally convergent with bounded algorithm parameters that are updated with a trust-region criterion. The algorithm handles general smooth constraints through linearization and uses a line search to ensure progress. The potential inconsistencies from the linearization of the constraints are addressed through a penalty method. In conclusion, the capabilities of the algorithm are demonstrated by solving both simple upper- ${\boldsymbol{\mathcal{C}^2}}$ problems and a real-world optimal power flow problem used in current power grid industry practices.

97 MATHEMATICS AND COMPUTING↗