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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Power System Frequency Dynamics Modeling, State Estimation, and Control using Neural Ordinary Differential Equations (NODEs) and Soft Actor-Critic (SAC) Machine Learning Approaches

With the global energy transition of the electric power system, grid control, supervision, and protection is becoming more challenging. With the increasing integration of renewable energy sources (RES), the system dynamics are changing, causing traditional power system dynamic modeling with swing equation-based modeling approaches to fail. Additionally, the converter-dominated power grid is decreasing the system inertia, making the power system more fragile to the frequency swings. This paper first investigates and compares the application of a model-based Kalman filter state estimation approach with (i) a model-free machine learning approach --- neural ordinary differential equations (NODEs) --- and (ii) a data-driven system identification (SysId) approach to model and infer critical state values of the power system frequency dynamics. Then a model predictive control (MPC) framework is compared to a model-free Soft Actor-Critic (SAC) reinforcement learning (RL) control algorithm in providing efficient fast frequency response (FFR) to the power system frequency dynamics. The approaches are compared in terms of their performance goals as well as their per-timestep computational efficiency. Furthermore, the comparative study for state estimation shows that for the model-free requirement, both NODEs and SysId can provide accurate state estimates; however, with increasing model complexity, NODEs can be a better choice for model identification. Similarly, the results from the FFR comparative study show that the SAC RL-based FFR, once trained, outperforms MPC with better control signals and faster computation time, making the SAC RL-based FFR better option for providing FFR to the power system.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Naturalness in D-brane inspired models

We examine the naturalness of the D-brane inspired model constructed in flipped SU(5) supplemented with vector-like particles at the TeV scale, dubbed flippons. We find the model can produce a mainly Higgsino-like lightest supersymmetric particle (LSP) and small light stops, as favored by naturalness. In fact, a large trilinear scalar At term at the electroweak (EW) scale creates a large mass splitting between the top squarks, driving the light stop to near degeneracy with an LSP that is almost all Higgsino, with ΔM(t~1,χ~01)< 5GeV, evading the LHC constraint on t~1→cχ~01 thus far. Given the smallness of the light stop, generating a 125 GeV light Higgs boson mass is aided by one-loop contributions from the Yukawa couplings between the flippons and Higgs fields. The resulting parameter space satisfying naturalness is rather constrained, thus we assess its viability by means of comparison to the LHC constraint on soft charm jets and direction detection limits on spin-independent cross-sections. Finally, we compute the level of electroweak fine-tuning and uncover a region with ΔEW< 30, i.e., fine-tuning better than 3%, regarded as low electroweak fine-tuning. Given the small light stop, the electroweak fine-tuning from only the top squarks is of O(1), indicating no fine-tuning from neither the light stop t~1 nor the heavy stop t~2.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Reparametrization modes, shadow operators, and quantum chaos in higher-dimensional CFTs

We study two novel approaches to efficiently encoding universal constraints imposed by conformal symmetry, and describe applications to quantum chaos in higher dimensional CFTs. The first approach consists of a reformulation of the shadow operator formalism and kinematic space techniques. We observe that the shadow operator associated with the stress tensor (or other conserved currents) can be written as the descendant of a field ε with negative dimension. Computations of stress tensor contributions to conformal blocks can be systematically organized in terms of the “soft mode” ε, turning them into a simple diagrammatic perturbation theory at large central charge.Our second (equivalent) approach concerns a theory of reparametrization modes, generalizing previous studies in the context of the Schwarzian theory and two-dimensional CFTs. Due to the conformal anomaly in even dimensions, gauge modes of the conformal group acquire an action and are shown to exhibit the same dynamics as the soft mode ε that encodes the physics of the stress tensor shadow. We discuss the calculation of the conformal partial waves or the conformal blocks using our effective field theory. The separation of conformal blocks from shadow blocks is related to gauging of certain symmetries in our effective field theory of the soft mode. These connections explain and generalize various relations between conformal blocks, shadow operators, kinematic space, and reparametrization modes. As an application we study thermal physics in higher dimensions and argue that the theory of reparametrization modes captures the physics of quantum chaos in Rindler space. This is also supported by the observation of the pole skipping phenomenon in the conformal energy-energy two-point function on Rindler space.

1/N Expansion↗
DOE OSTI2012

Percutaneous Extraction of Cement Leakage After Vertebroplasty Under CT and Fluoroscopy Guidance: A New Technique

Purpose: We report a new minimally invasive technique of extraction of cement leakage following percutaneous vertebroplasty in adults. Methods: Seven adult patients (five women, two men; mean age: 81 years) treated for vertebral compression fractures by percutaneous vertebroplasty had cement leakage into perivertebral soft tissues along the needle route. Immediately after vertebroplasty, the procedure of extraction was performed under computed tomography (CT) and fluoroscopy guidance: a Chiba needle was first inserted using the same route as the vertebroplasty until contact was obtained with the cement fragment. This needle was then used as a guide for an 11-gauge Trocar t'am (Thiebaud, France). After needle withdrawal, a 13-gauge endoscopy clamp was inserted through the cannula to extract the cement fragments. The whole procedure was performed under local anesthesia. Results: In each patient, all cement fragments were withdrawn within 10 min, without complication. Conclusions: This report suggests that this CT- and fluoroscopy-guided percutaneous technique of extraction could reduce the rate of cement leakage-related complications.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2015

Effect of the shape on the spin state and exchange in quantum dots. Feynman path integral analysis

The ab initio computer simulation of the mixed quantum states of 1–5-nm model ellipsoid quantum dots with “soft” walls containing two and three quantum-indistinguishable nonrelativistic electrons has been performed by the path integral method. The calculation has been carried out beyond the single-electron and mean-field approximations with the fundamentally exact inclusion of Coulomb and exchange correlations of all orders and the spin variable. Distributions over the eigenfunctions of the spin-squared operator, as well as the equilibrium spin numbers, have been obtained depending on the shape of a quantum dot and the temperature. The complete set of basis functions symmetrized in permutations according to the spin of the system has been obtained by application of the Young symmetry operators. The dependence of the energy on the shape of the quantum dot corresponds to the negative sign of the surface tension at its boundary. The calculation indicates that the spin magnetic susceptibility in the system of two electrons decreases strongly for spherical quantum dots (“pairing” of spins) and the temperature dependences have a pronounced maximum whose position depends on the shape of the quantum dot. For three electrons in an oblate quantum dot, the inversion of the energy levels of spin states is observed and affects the spin magnetic susceptibility. The results indicate a strong dependence of the energy of collective spin states of electrons on the detailed inclusion of exchange and Coulomb spatial correlations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Cloud-based Architecture Capabilities Summary Report

In collaborating scientific research arena it is important to have an environment where analysts have access to a shared of information documents, software tools and be able to accurately maintain and track historical changes in models. A new cloud-based environment would be accessible remotely from anywhere regardless of computing platforms given that the platform has available of Internet access and proper browser capabilities. Information stored at this environment would be restricted based on user assigned credentials. This report reviews development of a Cloud-based Architecture Capabilities (CAC) as a web portal for PRA tools.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Stations Tool for Automated Permitting (S-TAP) User Manual

The Stations Tool for Automated Permitting (S-TAP) is a spreadsheet-based plan review questionnaire designed to help automate and expedite the electric vehicle supply equipment (EVSE) permitting process. This manual goes into detail on the development of the tool and guidance for use cases of the tool.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2012

Theoretical Studies on the Electronic Structures and Properties of Complex Ceramic Crystals and Novel Materials

This project is a continuation of a long program supported by the Office of Basic Energy Science in the Office of Science of DOE for many years. The final three-year continuation started on November 1, 2005 with additional 1 year extension to October 30, 2009. The project was then granted a two-year No Cost Extension which officially ended on October 30, 2011. This report covers the activities within this six year period with emphasis on the work completed within the last 3 years. A total of 44 papers with acknowledgement to this grant were published or submitted. The overall objectives of this project are as follows. These objectives have been evolved over the six year period: (1) To use the state-of-the-art computational methods to investigate the electronic structures of complex ceramics and other novel crystals. (2) To further investigate the defects, surfaces/interfaces and microstructures in complex materials using large scale modeling. (3) To extend the study on ceramic materials to more complex bioceramic crystals. (4) To initiate the study on soft condensed matters including water and biomolecules. (5) To focus on the spectroscopic studies of different materials especially on the ELNES and XANES spectral calculations and their applications related to experimental techniques. (6) To develop and refine computational methods to be effectively executed on DOE supercomputers. (7) To evaluate mechanical properties of different crystals and those containing defects and relate them to the fundamental electronic structures. (8) To promote and publicize the first-principles OLCAO method developed by the PI (under DOE support for many years) for applications to large complex material systems. (9) To train a new generation of graduate students and postdoctoral fellows in modern computational materials science and condensed matter physics. (10) To establish effective international and domestic collaborations with both experimentalists and theorists in materials research. Because of the large amount of work accomplished, a diverse class of materials covered and the desire for an easier reporting process, this report will list six categories (A to F) of major accomplishments and findings under the following headings with references to the published papers under DOE support. These six categories obviously have heavy overlaps. A complete list of published papers follows the brief description on each category. Each paper also indicates to which of the six categories the main accomplishment it belongs to. A. Electronic structure of complex and novel crystals B. Impurities, surfaces, interfaces and microstructures in ceramics C. Structures and properties of complex bioceramics D. Soft condensed matters E. Spectroscopic characterizations, XANES and ELNES spectroscopy F. Large-scale simulations.

36 MATERIALS SCIENCE↗
DOE OSTI2023

The lattice extraction of the TMD soft function using the auxiliary field representation of the Wilson line

The transverse momentum dependent (TMD) soft function can be obtained by formulating the Wilson line in terms of auxiliary 1-dimensional fermion fields on the lattice. In this formulation, the directional vector of the auxiliary field in Euclidean space has the form ˜ 𝑛 = ¹𝑖𝑛0– ®0?– 𝑛3º, where the time component is purely imaginary. The components of these complex directional vectors in the Euclidean space can be mapped directly to the rapidities of the Minkowski space soft function. We present the results of the one-loop calculation of the Euclidean space analog to the soft function using these complex directional vectors. As a result, we show that the calculation is valid only when the directional vectors obey the relation: j𝑟 j = j𝑛3𝑛0j ¡ 1, and that this result corresponds to a computation in Minkowski space with space-like directed Wilson lines. Finally, we show that a lattice calculable object can be constructed that has the desired properties of the soft function.

Francis, Anthony↗
DOE OSTI2021

Synergy of coupled kink and tearing modes in fast ion transport

One aspect of the interaction between fast ions and magnetohydrodynamic (MHD) instabilities is the fast ion transport. Coupled kink and tearing MHD instabilities have also been reported to cause fast ion transport. Recently, the 'kick' model has been developed to compute the evolution of the fast ion distribution from neutral beam injection using instabilities as phase-space resonance sources. Overall, the goal of this paper is to utilize the kick model to understand the physics of fast ion transport caused by the coupled kink and tearing modes. Soft x-ray diagnostics are used to identify the mode parameters in the National Spherical Torus Experiment. The comparison of neutron rates measured and computed from time-dependent TRANSP simulation with the kick model shows that the coupling of kink and tearing mode is important in determination of the fast ion transport. The numerical scan of the mode parameters shows that the relative phase of the kink and tearing modes and the overlapping of kink and tearing mode resonances in the phase space can affect the fast ion transport, suggesting that the synergy of the coupled modes may be causing the fast ion transport.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Encoder–decoder neural network for solving the nonlinear Fokker–Planck–Landau collision operator in XGC

An encoder–decoder neural network has been used to examine the possibility for acceleration of a partial integro-differential equation, the Fokker–Planck–Landau collision operator. This is part of the governing equation in the massively parallel particle-in-cell code XGC, which is used to study turbulence in fusion energy devices. The neural network emphasizes physics-inspired learning, where it is taught to respect physical conservation constraints of the collision operator by including them in the training loss, along with the ℓ 2 loss. In particular, network architectures used for the computer vision task of semantic segmentation have been used for training. A penalization method is used to enforce the ‘soft’ constraints of the system and integrate error in the conservation properties into the loss function. During training, quantities representing the particle density, momentum and energy for all species of the system are calculated at each configuration vertex, mirroring the procedure in XGC. This simple training has produced a median relative loss, across configuration space, of the order of 10 –4 , which is low enough if the error is of random nature, but not if it is of drift nature in time steps. The run time for the current Picard iterative solver of the operator is O(n 2 ), where n is the number of plasma species. As the XGC1 code begins to attack problems including a larger number of species, the collision operator will become expensive computationally, making the neural network solver even more important, especially since its training only scales as O(n). Here, a wide enough range of collisionality has been considered in the training data to ensure the full domain of collision physics is captured. An advanced technique to decrease the losses further will be subject of a subsequent report. Eventual work will include expansion of the network to include multiple plasma species.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Microstructure of sheared monosized colloidal suspensions resulting from hydrodynamic and electrostatic interactions

Hydrodynamic and near-particle interactions in sheared suspensions are communicated through suspension microstructure to produce a wide variety of rheological behaviors. To characterize this microstructure, the individual positions of monosized silica particles flowing through a microchannel are obtained with near simulation-level detail. The pair distribution functions of the microstructure at moderate to high Péclet number shear rates are very similar to previous numerical studies. Viscometric functions calculated based on the detailed microstructure obtained through this technique show qualitative agreement with computational results. These results elucidate the origins of shear-thickening of suspensions at high shear rates. While efforts are taken to screen electrostatic interactions to study hydrodynamic and Brownian interactions, the role of electrostatic interaction between particles is also investigated by reducing suspension ionic strength. These non-hydrodynamic electrostatic interactions result in a loss of anisotropy that generally agrees with previous findings of “soft” particle systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Transverse-momentum-dependent pion structures from lattice QCD: Collins-Soper kernel, soft factor, TMDWF, and TMDPDF

We present the first lattice quantum chromodynamics (QCD) calculation of the pion valence-quark transverse-momentum-dependent parton distribution function (TMDPDF) within the framework of large-momentum effective theory (LaMET). Using correlators fixed in the Coulomb gauge (CG), we computed the quasi-TMD beam function for a pion with a mass of 300 MeV, a fine lattice spacing of 𝑎 =0.06 fm, and multiple large momenta up to 3 GeV. The intrinsic soft functions in the CG approach are extracted from form factors with large momentum transfer, and as a byproduct, we also obtain the corresponding Collins-Soper (CS) kernel. Our determinations of both the soft function and the CS kernel agree with perturbation theory at small transverse separations (𝑏 ⊥ ) between the quarks. At larger 𝑏 ⊥ , the CS kernel remains consistent with recent results obtained using both CG and gauge-invariant TMD correlators in the literature. By combining next-to-leading logarithmic factorization of the quasi-TMD beam function and the soft function, we obtain an 𝑥-dependent pion valence-quark TMDPDF for transverse separations 𝑏 ⊥ ≳1 fm. Interestingly, we find that the 𝑏 ⊥ dependence of the phenomenological parametrizations of TMDPDF for moderate values of 𝑥 are in reasonable agreement with our QCD determinations. In addition, we present results for the transverse-momentum-dependent wave function for a heavier pion with 670 MeV mass.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

High Performance Computing Based Parallel HIearchical Modal Association Clustering (HPAR HMAC)

For many applications, clustering is a crucial step in order to gain insight into the makeup of a dataset. The best approach to a given problem often depends on a variety of factors, such as the size of the dataset, time restrictions, and soft clustering requirements. The HMAC algorithm seeks to combine the strengths of 2 particular clustering approaches: model-based and linkage-based clustering. One particular weakness of HMAC is its computational complexity. HMAC is not practical for mega-scale data clustering. For high-definition imagery, a user would have to wait months or years for a result; for a 16-megapixel image, the estimated runtime skyrockets to over a decade! To improve the execution time of HMAC, it is reasonable to consider an multi-core implementation that utilizes available system resources. An existing imple-mentation (Ray and Cheng 2014) divides the dataset into N partitions - one for each thread prior to executing the HMAC algorithm. This implementation benefits from 2 types of optimization: parallelization and divide-and-conquer. By running each partition in parallel, the program is able to accelerate computation by utilizing more system resources. Although the parallel implementation provides considerable improvement over the serial HMAC, it still suffers from poor computational complexity, O(N2). Once the maximum number of cores on a system is exhausted, the program exhibits slower behavior. We now consider a modification to HMAC that involves a recursive partitioning scheme. Our modification aims to exploit divide-and-conquer benefits seen by the parallel HMAC implementation. At each level in the recursion tree, partitions are divided into 2 sub-partitions until a threshold size is reached. When the partition can no longer be divided without falling below threshold size, the base HMAC algorithm is applied. This results in a significant speedup over the parallel HMAC.

Patlolla, Dilip R↗
DOE OSTI2023

Confidentiality-preserving machine learning algorithms for soft-failure detection in optical communication networks

Automated fault management is at the forefront of next-generation optical communication networks. The increase in complexity of modern networks has triggered the need for programmable and software-driven architectures to support the operation of agile and self-managed systems. In these scenarios, the European Telecommunications Standards Institute zero-touch network and service management approach is imperative. The need for machine learning algorithms to process the large volume of telemetry data brings safety concerns as distributed cloud-computing solutions become the preferred approach for deploying reliable communication network automation. This paper’s contribution is twofold. First, we propose a simple yet effective method to guarantee the confidentiality of the telemetry data based on feature scrambling. The method allows the operation of third-party computational services without direct access to the full content of the collected data. Additionally, the effectiveness of four unsupervised machine learning algorithms for soft-failure detection is evaluated when applied to the scrambled telemetry data. The methods are based on factor analysis, principal component analysis, nonlinear principal component analysis, and singular value decomposition. Most dimensionality reduction algorithms have the common property that they can maintain similar levels of fault classification performance while hiding the data structure from unauthorized access. Evaluations of the proposed algorithms demonstrate this capability.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Standard Model thermodynamics across the electroweak crossover

Even though the Standard Model with a Higgs mass m{sub \tiny H}=125 GeV possesses no bulk phase transition, its thermodynamics still experiences a “soft point” at temperatures around T=160 GeV, with a deviation from ideal gas thermodynamics. Such a deviation may have an effect on precision computations of weakly interacting dark matter relic abundances if their mass is in the few TeV range, or on leptogenesis scenarios operating in this temperature range. By making use of results from lattice simulations based on a dimensionally reduced effective field theory, we estimate the relevant thermodynamic functions across the crossover. The results are tabulated in a numerical form permitting for their insertion as a background equation of state into cosmological particle production/decoupling codes. We find that Higgs dynamics induces a non-trivial “structure” visible e.g. in the heat capacity, but that in general the largest radiative corrections originate from QCD effects, reducing the energy density by a couple of percent from the free value even at T>160 GeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Unbiased particle conformation extraction from scattering spectra using orthonormal basis expansions

A strategy is outlined for quantitatively evaluating the particle density profiles from small-angle scattering spectra of dilute solutions. The approach employs an orthonormal basis function expansion method, enabling the determination of characteristic mass distributions in self-assembled structures without the need for a specific structural model. Through computational benchmarking, the efficacy of this approach is validated by effectively reconstructing the density profile of soft-ball systems with varying fuzziness from their scattering signatures. Further, the feasibility of the method is demonstrated by fitting small-angle neutron scattering data obtained from Pluronic L64 micelles at different temperatures. This proposed approach is both simple and analytical, eliminating the requirement for a presumptive structural model in scattering analysis. The new method could therefore facilitate quantitative descriptions of complex nanoscopic structures inherent to numerous soft-matter systems using small-angle scattering techniques.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Extracting the \(\Lambda \) Polarizing Fragmentation Function from Belle e + e − Data within the TMD Formalism

Data from the Belle Collaboration for associated production (with a light unpolarized hadron) and single-inclusive production of transversely polarized Λ-hyperons in e + e − annihilation processes allowed to extract within a TMD approach, for the first time, the Λ polarizing fragmentation function. Recent theoretical developments on the computation of cross sections for single-inclusive hadron production in e + e − annihilation processes, within a Soft Collinear Effective Theory approach, combined with the CSS formalism for the double-hadron production case, can be used to perform a renewed analysis, adopting a full TMD factorization scheme. Preliminary results and a comparison between the two analyses are presented.

CSS evolution equations↗