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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 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Weak Ferroelectricity and Leakage Current Behavior of Multiferroic CoCr{sub 2}O{sub 4} Nanomaterials

Multiferroic CoCr{sub 2}O{sub 4} is synthesized by low-temperature sol-gel auto combustion technique. High energy synchrotron x-ray diffraction pattern confirms the single-phase cubic structure with space group Fd3m. Average crystallite size (17.91 nm) and negative micro-strain (9.86 × 10{sup −4}) are estimated by Williamson–Hall (W-H) plot. FTIR confirms the formation of spinel metal oxide-based cobalt chromites. The strong decrease in ε′ and tan δ at higher frequency can be interpreted by Maxwell-Wagner-type interfacial polarization. Weak ferroelectricity is mainly attributed to the partial reversal of polarization. J-E characteristic reveals the Ohmic (I–V) and Child’s square law (I–V{sup 2}) behavior observed in CoCr{sub 2}O{sub 4} nanomaterials with slope value ~ 1.04 and ~ 1.6, respectively. The conduction process for the leakage current density is interpreted using the space-charge limited current (SCLC) mechanism.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Weak and Strong Connectivity Regimes for a General Time Elapsed Neuron Network Model

For large fully connected neuron networks, we study the dynamics of homogenous assemblies of interacting neurons described by time elapsed models. Under general assumptions on the firing rate which include the ones made in previous works (Pakdaman et al. in Nonlinearity 23(1):55–75, 2010; SIAM J Appl Math 73(3):1260–1279, 2013, Mischler and Weng in Acta Appl Math, 2015), we establish accurate estimate on the long time behavior of the solutions in the weak and the strong connectivity regime both in the case with and without delay. Our results improve (Pakdaman et al. 2010, 2013) where a less accurate estimate was established and Mischler and Weng (2015) where only smooth firing rates were considered. Our approach combines several arguments introduced in the above previous works as well as a slightly refined version of the Weyl’s and spectral mapping theorems presented in Voigt (Monatsh Math 90(2):153–161, 1980) and Mischler and Scher (Ann Inst H Poincaré Anal Non Linéaire 33(3):849–898, 2016).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Electron-Transfer Coefficients in Weakly Ionized Plasma with Dust Particles

Based on a numerical solution of the Boltzmann equation and the equation for charging monodisperse macroparticles, the influence of dust on the electron-transfer coefficients is investigated in a weakly ionized plasma within the range of the reduced-field values E/N = 5·10{sup −18}–1·10{sup −15} V·cm2 and dust parameters nd a{sup 2} = 10{sup −4}–5·10{sup −3} cm{sup −1}. It is shown that in the region of small values of E/N the diffusion and mobility coefficients in the argon plasma increase upon addition of dust, given the invariable reduced-field value. The effect is accounted for by the presence of a Ramsauer minimum in the transport cross-section of particle collisions. For the discharge in helium, the deviations in the transfer coefficients after the introduction of dust are less pronounced. The presence of dust changes the structure of the electron energy loss during collisions – the fraction of inelastic loss becomes essential in the entire range of the E/N values.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Three-Dimensional Characterization and Modeling of Microstructural Weak Links for Spall Damage in FCC Metals

Local microstructural weak links for spall damage were investigated using three-dimensional (3-D) characterization in multicrystalline copper samples (grain size ≈ 450 µm) shocked with laser-driven plates at low pressures (2 to 4 GPa). The thickness of samples and flyer plates, approximately 1000 and 500 µm respectively, led to short pressure pulses that allowed isolating microstructure effects on local damage characteristics. Electron Backscattering Diffraction and optical microscopy were used to relate the presence, size, and shape of porosity to local microstructure. The experiments were complemented with 3-D finite element simulations of individual grain boundaries (GBs) that resulted in large damage volumes using crystal plasticity coupled with a void nucleation and growth model. Results from analysis of these damage sites show that the presence of a GB-affected zone, where strain concentration occurs next to a GB, correlates strongly with damage localization at these sites, most likely due to the inability of maintaining strain compatibility across these interfaces, with additional effects due to the inclination of the GB with respect to the shock. Results indicate that strain compatibility plays an important role on intergranular spall damage in metallic materials.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Strengths and Weaknesses of Molecular Simulations of Electrosprayed Droplets

The origin and the magnitude of the charge in a macroion are critical questions in mass spectrometry analysis coupled to electrospray and other ionization techniques that transfer analytes from the bulk solution into the gaseous phase via droplets. In many circumstances, it is the later stages of the existence of a macroion in the containing solvent drop before the detection that determines the final charge state. Experimental characterization of small (with linear dimensions of several nanometers) and short-lived droplets is quite challenging. Molecular simulations in principle may provide insight exactly in this challenging for experiments regime. We discuss the strengths and weaknesses of the molecular modeling of electrosprayed droplets using molecular dynamics. We illustrate the limitations of the molecular modeling in the analysis of large macroions and specifically proteins away from their native states. .

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Automatic Determination of the Weak-Beam Condition in Dark Field X-ray Microscopy

Mechanical properties in crystals are strongly correlated to the arrangement of 1D line defects, termed dislocations. Recently, Dark field X-ray Microscopy (DFXM) has emerged as a new tool to image and interpret dislocations within crystals using multidimensional scans. However, the methods required to reconstruct meaningful dislocation information from high-dimensional DFXM scans are still nascent and require significant manual oversight (i.e. supervision). In this work, we present a new relatively unsupervised method that extracts dislocation-specific information (features) from a 3D dataset (x, y, Φ) using Gram-Schmidt orthogonalization to represent the large dataset as an array of 3-component feature vectors for each position, corresponding to the weak-beam conditions and the strong-beam condition. Finally, this method offers key opportunities to significantly reduce dataset size while preserving only the crystallographic information that is important for data reconstruction.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Weak and strong orders of linear recurring sequences

The concept of the strong order of linear recurring sequence (LRS) is introduced in this paper. Necessary and sufficient conditions for the existence of the strong LRS order are derived. The strong LRS order is exploited for the formalization of the problem of the extension of a sequence from the available fragment (fragments) of that sequence. The definition of the strong LRS order opens new possibilities for formal sequence analysis whenever the weak LRS order of that sequence exists. Computational experiments with discrete iterative maps are used to illustrate the applicability of the strong LRS order in nonlinear system analysis.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

A semi-discrete scheme for solving fourth-order partial integro-differential equation with a weakly singular kernel using Legendre wavelets method

In this paper, a semi-discrete scheme is presented for solving fourth-order partial integro-differential equations with a weakly singular kernel. The second-order backward difference formula is used to discretize the temporal derivatives. After discretizing the temporal derivatives, the considered problems are converted into a set of ordinary differential equations which are solved by using Legendre wavelets collocation method. The stability and convergence properties related to the time discretization are discussed and theoretically proven. Several numerical examples are included to demonstrate the accuracy and efficiency of the proposed method.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

On the regularization method for Fredholm integral equations with odd weakly singular kernel

In this paper, we propose a numerical method to approach the solution of a Fredholm integral equation with a weakly singular kernel by applying the convolution product as a regularization operator and the Fourier series as a projection. Preliminary numerical results show that the order of convergence of the method is better than the one of conventional projection methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

The nonlinear Schrödinger equation and the propagation of weakly nonlinear waves in optical fibers and on the water surface

The dynamics of waves in weakly nonlinear dispersive media can be described by the nonlinear Schrödinger equation (NLSE). An important feature of the equation is that it can be derived in a number of different physical contexts; therefore, analogies between different fields, such as for example fiber optics, water waves, plasma waves and Bose–Einstein condensates, can be established. Here, we investigate the similarities between wave propagation in optical Kerr media and water waves. In particular, we discuss the modulation instability (MI) in both media. In analogy to the water wave problem, we derive for Kerr-media the Benjamin–Feir index, i.e. a nondimensional parameter related to the probability of formation of rogue waves in incoherent wave trains.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Perturbation theory for short-range weakly-attractive potentials in one dimension

We have obtained the perturbative expressions up to sixth order for the energy of the bound state in a one dimensional, arbitrarily weak, short range finite well, applying a method originally developed by Gat and Rosenstein Ref. [1]. The expressions up to fifth order reproduce the results already known in the literature, while the sixth order had not been calculated before. As an illustration of our formulas we have applied them to two exactly solvable problems and to a nontrivial problem.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Cephalosporin antibiotics are weak blockers of GABAa receptor-mediated synaptic transmission in rat brain slices

Highlights: • Millimolar concentrations of cephalosporins are required to block eIPSCs. • Cefepime and ceftriaxone have different mechanisms of GABAa receptor inhibition. • Cephalosporins alone fail to induce consistent epileptiform activity in brain slices. Cephalosporins are beta-lactam antibiotics that are extensively used in medical practice and are reported to cause epileptic seizures in some patients. The primary cause of cephalosporin-induced convulsions is believed to be their ability to block GABAa receptors. However, direct evidence for the involvement of this mechanism has not yet been provided. The present study aims to investigate the ability of two cephalosporins – cefepime and ceftriaxone – to block inhibitory synaptic transmission in entorhinal cortex slices of rats. Using the whole-cell patch-clamp method, we found that millimolar concentrations of cefepime (IC{sub 50} = 1.6 ± 0.1 mM) and ceftriaxone (2.0 ± 0.1 mM) were required to block the evoked inhibitory postsynaptic currents (IPSCs). These concentrations are almost two orders of magnitude higher than cerebrospinal fluid concentrations of antibiotics achieved during treatment. We also found that while ceftriaxone did not affect the IPSC decay kinetics, cefepime significantly slowed the decays of the evoked currents, which may be attributed to the diverse mechanisms of the GABAa receptor inhibition of cefepime and ceftriaxone. The experiments involving the fast application of GABA at various concentrations to isolated neurons suggests that cefepime blocks receptors competitively, while ceftriaxone does so noncompetitively. Cefepime, at a concentration of up to 4 mM, was unable to produce seizure-like events in brain slices. However, this antibiotic could induce epileptiform activity in combination with the altered ionic composition of the perfusing media, which may be the case for patients with renal insufficiency. Our results suggest that cefepime and ceftriaxone are weak GABAa receptor blockers and that it is unlikely that the inhibition of GABAa receptors by antibiotics is the primary cause of the seizures.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

An inelastic homogenization framework for layered materials with planes of weakness

Many geologic materials have a composite structure, in which macroscopic mechanical behavior is determined by the properties, shape, and heterogeneous distribution of individual constituents. In particular, sedimentary rocks commonly exhibit a layered microstructure, with distinct bedding planes that can also form planes of weakness. In this work, we present a homogenization framework for modeling inelastic layered media. The proposed constitutive model allows for distinct micro-constitutive laws for each layer, explicit representation of layer distributions, as well as incorporation of imperfect bonding at the interface between adjacent layers. No a priori assumptions are needed regarding the specific constitutive models used for the layers and interfaces, providing significant modeling flexibility. The overall framework provides a simple and physically-motivated way of defining anisotropic material behavior as an emergent property of the layered microstructure. The model is calibrated using triaxial and true-triaxial experimental data to demonstrate its ability to describe anisotropic deformation and multiple modes of failure.

58 GEOSCIENCES↗
DOE OSTI2024

A splice method for local-to–nonlocal coupling of weak forms

Here, we propose a method to couple local and nonlocal diffusion models. By inheriting desirable properties such as patch tests, asymptotic compatibility and unintrusiveness from related splice and optimization-based coupling schemes, it enables the use of weak (or variational) formulations, is computationally efficient and straightforward to implement. We prove well-posedness of the coupling scheme and demonstrate its properties and effectiveness in a variety of numerical examples.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Calculation of mode lifetimes in weakly anharmonic solids using self-consistent ensemble eigenstates of the Liouvillian

Recent schemes for the efficient calculation of vibrational mode frequencies and lifetimes in weakly anharmonic systems such as solid crystal structures have shown promise, with simple relationships being observed between low order moments of the Liouvillian and the observed lifetime. While only shown empirically, two parameters seemed sufficient to determine the lifetime to high accuracy over a large range of temperatures for a few simple low degree of freedom models and a Lennard–Jones solid. In this paper we analytically reproduce the numerically observed relationship using a few generally applicable assumptions about the density of states. This advance is made by studying the autocorrelation based on an “ensemble eigenstate” of the Liouvillian. We propose the use of this ensemble eigenstate as the basis for autocorrelations to simplify calculations in richer systems. Finally, an analysis is also performed of the relationship between canonical and microcanonical autocorrelation functions and a long standing error in the long time behavior of such functions originally presented by Sen, Sinkovits, and Chakravarti is corrected.

36 MATERIALS SCIENCE↗
DOE OSTI2018

A comparative study of shear band tracking strategies in three-dimensional finite elements with embedded weak discontinuities

We present a computational framework for the treatment of shear localization in metallic materials under dynamic loading, based on the integration of a shear band tracking strategy into an explicit 3D finite element formulation with embedded weak discontinuities. Within this computational framework, an embedded shear band’s mid-surface is represented by an iso-surface of a level set function, which is obtained by solving a heatconduction type boundary value problem (BVP). The solution of this BVP is carried out either globally over the entire problem domain, or locally at the level of individual elements in the mesh. In this paper, we present a detailed comparison of these global and local algorithmic implementations of the shear band tracking strategy. Numerical results obtained using these two implementations, and using a simplified formulation without shear band tracking, are presented and compared. Moreover, we compare the computational efficiency and parallel scaling performance of the local and global implementations. This comparative study shows that both implementations can simulate the initiation of two independent shear bands and their propagation past each other without merging, whereas only the global implementation can successfully simulate the merging of two branches of a single shear band. This study also confirms that the global implementation is more computationally intensive, since it requires a global system of linear equations associated with the level set BVP to be solved at each time step. Both implementations exhibit very good scalability in domain decomposition-based parallel simulations.

36 MATERIALS SCIENCE↗
DOE OSTI2026

End-To-End Decentralized Transmission Line Protection in IBR-Dominated Weak Grids Using Interpretable Data-Driven Methods

Traditional transmission line protection relies on predictable synchronous-based fault signatures, which frequently fail under the non-standard, current-limited fault characteristics of Inverter-Based Resources (IBRs). This study investigates how to achieve secure, communication-free fault isolation in IBR-dominated weak grids without relying on opaque, computationally heavy "black-box" machine learning algorithms. To address this, we propose a novel, standalone, and inherently interpretable data-driven protection framework. Unlike centralized methods requiring multi-terminal communication, this decentralized approach relies solely on local measurements using a hierarchical linear-kernel Support Vector Machine (SVM). The methodology decomposes the protection task into four sequential stages that mimic traditional protection elements: fault detection and fault direction identification, fault type classification, zone classification, and location estimation. This multi-stage architecture allows for specialized feature engineering at each stage, combining high computational efficiency with logic traceability. The framework's end-to-end performance was validated via C-code and PSCAD/EMTDC co-simulation, utilizing a real-world utility network and an OEM black-box IBR model. The proposed relay achieves 97.2% overall accuracy and provides a reliable trip decision within a 2.5-cycle window. The results confirm 100% accuracy in fundamental fault detection, reliable zone selectivity across low to moderate fault resistances, and robust security against non-fault transients, proving its immediate viability for integration into commercial numerical relays.

24 POWER TRANSMISSION AND DISTRIBUTION↗