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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

CosmosDG: An hp -adaptive Discontinuous Galerkin Code for Hyper-resolved Relativistic MHD

We have extended Cosmos++, a multidimensional unstructured adaptive mesh code for solving the covariant Newtonian and general relativistic radiation magnetohydrodynamic (MHD) equations, to accommodate both discrete finite volume and arbitrarily high-order finite element structures. The new finite element implementation, called CosmosDG, is based on a discontinuous Galerkin (DG) formulation, using both entropy-based artificial viscosity and slope limiting procedures for the regularization of shocks. High-order multistage forward Euler and strong-stability preserving Runge–Kutta time integration options complement high-order spatial discretization. We have also added flexibility in the code infrastructure allowing for both adaptive mesh and adaptive basis order refinement to be performed separately or simultaneously in a local (cell-by-cell) manner. We discuss in this report the DG formulation and present tests demonstrating the robustness, accuracy, and convergence of our numerical methods applied to special and general relativistic MHD, although we note that an equivalent capability currently also exists in CosmosDG for Newtonian systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

High-quality Thermodynamic Data on the Stability Changes of Proteins Upon Single-site Mutations

We have set up and manually curated a dataset containing experimental information on the impact of amino acid substitutions in a protein on its thermal stability. It consists of a repository of experimentally measured melting temperatures (T{sub m}) and their changes upon point mutations (ΔT{sub m}) for proteins having a well-resolved x-ray structure. This high-quality dataset is designed for being used for the training or benchmarking of in silico thermal stability prediction methods. It also reports other experimentally measured thermodynamic quantities when available, i.e., the folding enthalpy (ΔH) and heat capacity (ΔC{sub P}) of the wild type proteins and their changes upon mutations (ΔΔH and ΔΔC{sub P}), as well as the change in folding free energy (ΔΔG) at a reference temperature. These data are analyzed in view of improving our insights into the correlation between thermal and thermodynamic stabilities, the asymmetry between the number of stabilizing and destabilizing mutations, and the difference in stabilization potential of thermostable versus mesostable proteins.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Extreme multistability in a memristor-based multi-scroll hyper-chaotic system

In this paper, a new memristor-based multi-scroll hyper-chaotic system is designed. The proposed memristor-based system possesses multiple complex dynamic behaviors compared with other chaotic systems. Various coexisting attractors and hidden coexisting attractors are observed in this system, which means extreme multistability arises. Besides, by adjusting parameters of the system, this chaotic system can perform single-scroll attractors, double-scroll attractors, and four-scroll attractors. Basic dynamic characteristics of the system are investigated, including equilibrium points and stability, bifurcation diagrams, Lyapunov exponents, and so on. In addition, the presented system is also realized by an analog circuit to confirm the correction of the numerical simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Analytical Assessment for Transient Stability Under Stochastic Continuous Disturbances

Here, with the growing integration of renewable power generation, plug-in electric vehicles, and other sources of uncertainty, increasing stochastic continuous disturbances are brought to power systems. The impact of stochastic continuous disturbances on power system transient stability attracts significant attention. To address this problem, this paper proposes an analytical assessment method for transient stability of multi-machine power systems under stochastic continuous disturbances. In the proposed method, a probability measure of transient stability is presented and analytically solved by stochastic averaging. Compared with the conventional method (Monte Carlo simulation), the proposed method is many orders of magnitude faster, which makes it very attractive in practice when many plans for transient stability must be compared or when transient stability must be analyzed quickly. Also, it is found that the evolution of system energy over time is almost a simple diffusion process by the proposed method, which explains the impact mechanism of stochastic continuous disturbances on transient stability in theory.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2015

Reconsidering harmonic and anharmonic coherent states: Partial differential equations approach

This article presents a new approach to dealing with time dependent quantities such as autocorrelation function of harmonic and anharmonic systems using coherent states and partial differential equations. The approach that is normally used to evaluate dynamical quantities involves formidable operator algebra. That operator algebra becomes insurmountable when employing Morse oscillator coherent states. This problem becomes even more complicated in case of Morse oscillator as it tends to exhibit divergent dynamics. This approach employs linear partial differential equations, some of which may be solved exactly and analytically, thereby avoiding the cumbersome noncommutative algebra required to manipulate coherent states of Morse oscillator. Additionally, the arising integrals while using the herein presented method feature stability and high numerical efficiency. The correctness, applicability, and utility of the above approach are tested by reproducing the partition and optical autocorrelation function of the harmonic oscillator. A closed-form expression for the equilibrium canonical partition function of the Morse oscillator is derived using its coherent states and partial differential equations. Also, a nonequilibrium autocorrelation function expression for weak electron–phonon coupling in condensed systems is derived for displaced Morse oscillator in electronic state. Finally, the utility of the method is demonstrated through further simplifying the Morse oscillator partition function or autocorrelation function expressions reported by other researchers in unevaluated form of second-order derivative exponential. Comparison with exact dynamics shows identical results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Stable electron beam propagation in a plasma column

The stability of plasma-based accelerators against transverse misalignments and asymmetries of the drive beam is crucial for their applicability. Without stabilizing mechanisms, even small initial offsets of the drive beam centroid can couple coherently to the plasma wake, grow, and ultimately lead to emittance degradation or beam loss for a trailing witness beam. In this work, we demonstrate the intrinsic stability of a beam propagating in a plasma column. This result is relevant in the context of plasma-based positron acceleration, where a wakefield suitable for the transport and acceleration of a positron witness beam is generated in a plasma column by means of an electron drive beam. The stable propagation of the drive beam is a necessary condition for the experimental implementation of this scheme. The differences and similarities of stabilizing mechanisms in a plasma column compared to a homogeneous plasma are identified via theory and particle-in-cell simulations. Experimental tolerances are given, demonstrating the experimental feasibility of the scheme.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Highly Uniform Resistive Switching in HfO 2 Films Embedded with Ordered Metal Nanoisland Arrays

Memristors enter a critical developmental stage where emerging large-scale integration methods face major challenges with severe switching instabilities in the oxide layer. In this work, the superior uniformity is achieved within HfO 2 films by embedding highly ordered metal nanoisland (NI) arrays. Embedded films exhibit a significant reduction in both SET and RESET while displaying enhanced uniformity in operating voltages and resistance states. This behavior is attributed to the concentration of electric fields along Pt and Ti NIs and their interactions with the surrounding oxide film matrix environment, which induce separate and distinct filamentary formation mechanisms that affect the stability. A method is reported to further optimize the uniformity of the SET voltage by translating the NI array position down the film-thickness dimension towards the bottom electrode. A comparison of the density and distribution of the oxygen vacancies responsible for the formation/dissolution of conducting filaments is made via combined electrostatic force microscopy and conductive atomic force microscopy (c-AFM) studies. Finally, complete observation of the morphological evolution of conducting filaments produced by Pt and Ti is enabled by 3D c-AFM nanotomography and cross-sectional scanning transmission electron microscopy–energy dispersive spectroscopy to provide direct correlations between NI-oxide interactions and overall switching performance.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Transient Stability Enhancement via a Scalable RL Method with VSG Parameter Tuning

This paper presents a reinforcement learning (RL)-driven strategy to improve the transient stability of power systems via tuning parameters of multiple virtual synchronous generators (VSGs). We proposed a scalable method to support RL training convergence probability and speed, even when a large number of contingencies are considered. The proposed scalable RL framework first decomposes the large number of contingencies into multiple groups and then conducts parallel training for each group, decreasing the state space and complexity of each training. Additionally, we propose a contingency grouping algorithm to streamline the RL action space and facilitate the training. The proposed method is validated across various standard test systems.

Huang, Xiaoge↗
DOE OSTI2023

Toward continuum gyrokinetic study of high-field mirrors

High-temperature superconducting (HTS) magnetic mirrors under development exploit strong fields with high mirror ratio to compress loss cones and enhance confinement and may offer cheaper, more compact fusion power plant candidates. This new class of devices could exhibit largely unexplored interchange and gradient-driven modes. Such instabilities, and methods to stabilize them, can be studied with gyrokinetics, given the strong magnetization and prevalence of kinetic effects. Our focus here is to (a) determine if oft-used gyrokinetic models for open field lines produce the electron-confining (Pastukhov) electrostatic potential and (b) examine and address challenges faced by gyrokinetic codes in studying HTS mirrors. Here, we show that a one-dimensional limit of said models self-consistently develops a potential qualitatively approaching the analytical Pastukhov level. Additionally, we describe the computational challenges of studying high mirror ratios with open field line gyrokinetic solvers and offer a force softening method to mitigate small time steps needed for time integration in colossal magnetic field gradients produced by HTS coils, providing a 19X speedup.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Stability of new exact solutions of the nonlinear Schrödinger equation in a Pöschl–Teller external potential

Here, we discuss the stability properties of the solutions of the general nonlinear Schrödinger equation in 1 + 1 dimensions in an external potential derivable from a parity-time ($ \newcommand{\PT}{\mathcal{PT}} \PT$ ) symmetric superpotential $W(x)$ that we considered earlier in Kevrekidis et al (2015 Phys. Rev. E 92 042901). In particular we consider the nonlinear partial differential equation $ \{i \, \partial_t + \partial_x^2 - V(x) + g \vert \psi(x, t) \vert ^{2\kappa} \} \, \psi(x, t) = 0 \>, $ for arbitrary nonlinearity parameter κ, where $g= \pm1$ and V is the well known Pöschl–Teller potential which we allow to be repulsive as well as attractive. Using energy landscape methods, linear stability analysis as well as a time dependent variational approximation, we derive consistent analytic results for the domains of instability of these new exact solutions as a function of the strength of the external potential and κ. For the repulsive potential we show that there is a translational instability which can be understood in terms of the energy landscape as a function of a stretching parameter and a translation parameter being a saddle near the exact solution. In this case, numerical simulations show that if we start with the exact solution, the initial wave function breaks into two pieces traveling in opposite directions. If we explore the slightly perturbed solution situations, a 1% change in initial conditions can change significantly the details of how the wave function breaks into two separate pieces. For the attractive potential, changing the initial conditions by 1% modifies the domain of stability only slightly. For the case of the attractive potential and negative g perturbed solutions merely oscillate with the oscillation frequencies predicted by the variational approximation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Use of a Plasticizer for Physical Stability Prediction of Amorphous Solid Dispersions

Utilizing glycerol as a plasticizer, an accelerated physical stability testing method of amorphous solid dispersions (ASDs) was developed. The influence of glycerol concentration on the glass transition temperature and α-relaxation time (a measure of molecular mobility) of amorphous ketoconazole, celecoxib, and the solid dispersions of each prepared with polyvinylpyrrolidone was investigated. By temperature scaling (T g /T), the effects of glycerol concentration and temperature on the relaxation time were simultaneously evaluated. Glycerol, in a concentration dependent manner, accelerated crystallization in all of the systems without affecting the fragility. In celecoxib-PVP ASDs, the drug crystallization was well coupled to molecular mobility and was essentially unaltered at glycerol concentrations up to 2% w/w. The acceleration in crystallization brought about by glycerol expedited the determination of the coupling between molecular mobility and crystallization. As a result, we were able to predict the physical stability of the unplasticized ASD. Lastly, this approach is especially useful for ASDs with high polymer content where drug crystallization is extremely slow at the relevant storage temperature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Revealing the semiconductor–catalyst interface in buried platinum black silicon photocathodes

Nanoporous 'black' silicon semiconductors interfaced with buried platinum nanoparticle catalysts have exhibited stable activity for photoelectrochemical hydrogen evolution even after months of exposure to ambient conditions. The mechanism behind this stability has not been explained in detail, but is thought to involve a Pt/Si interface free from SiOx layer that would adversely affect interfacial charge transfer kinetics. In this paper, we resolve the chemical composition and structure of buried Pt/Si interfaces in black silicon photocathodes from a micron to sub-nanometer level using aberration corrected analytical scanning transmission electron microscopy. Through a controlled electrodeposition of copper on samples aged for one month in ambient conditions, we demonstrate that the main active catalytic sites are the buried Pt nanoparticles located below the 400-800 nm thick nanoporous SiOx layer. Though hydrogen production performance degrades over 100 h under photoelectrochemical operating conditions, this burying strategy preserves an atomically clean catalyst/Si interface free of oxide or other phases under air exposure and provides an example of a potential method for stabilizing silicon photoelectrodes from oxidative degradation in photoelectrochemical applications.

14 SOLAR ENERGY↗
DOE OSTI2018

High-order finite-volume modeling of drift waves

The study discusses high-order finite-volume numerical modeling of drift waves, which is an ubiquitous phenomenon in magnetized plasmas. It is found that some standard discretization methods applied to the conservative form of the governing equations can lead to a numerical instability. A method to stabilize high-order discretization is proposed and demonstrated to work in numerical simulations performed with the fourth-order finite-volume code COGENT. As practical examples, a stable drift-wave solution with adiabatic electrons and the collisionless (universal) drift-wave instability driven by electron kinetic effects are considered. Finally, application of the present analysis to a broader range of computational fluid dynamics systems is discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

On the stability of the fragments and associated properties at the peak center-of-mass energy of light fragments

We simulate semi-central symmetric system reactions, for center-of-mass energies at which maximal number of light fragments (2 ≤ A ≤ 4) occurs and at a fixed E{sub c.m.} = 60 AMeV. The study was carried out with soft EOS using isospin-dependent quantum molecular dynamics (IQMD) model. We studied various properties of fragments at peak E{sub c.m.} and also at constant energy (E{sub c.m.} = 60 AMeV) to find out the relative difference between the properties at both energies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

Treatment Study Plan for Nitrate Salt Waste Remediation Revision 1.0

The two stabilization treatment methods that are to be examined for their effectiveness in the treatment of both the unremediated and remediated nitrate salt wastes include (1) the addition of zeolite and (2) cementation. Zeolite addition is proposed based on the results of several studies and analyses that specifically examined the effectiveness of this process for deactivating nitrate salts. Cementation is also being assessed because of its prevalence as an immobilization method used for similar wastes at numerous facilities around the DOE complex, including at Los Alamos. The results of this Treatment Study Plan will be used to provide the basis for a Resource Conservation and Recovery Act (RCRA) permit modification request of the LANL Hazardous Waste Facility Permit for approval by the New Mexico Environment Department-Hazardous Waste Bureau (NMED-HWB) of the proposed treatment process and the associated facilities.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

Parameter space of experimental chaotic circuits with high-precision control parameters

We report high-resolution measurements that experimentally confirm a spiral cascade structure and a scaling relationship of shrimps in the Chua's circuit. Circuits constructed using this component allow for a comprehensive characterization of the circuit behaviors through high resolution parameter spaces. To illustrate the power of our technological development for the creation and the study of chaotic circuits, we constructed a Chua circuit and study its high resolution parameter space. The reliability and stability of the designed component allowed us to obtain data for long periods of time (∼21 weeks), a data set from which an accurate estimation of Lyapunov exponents for the circuit characterization was possible. Moreover, this data, rigorously characterized by the Lyapunov exponents, allows us to reassure experimentally that the shrimps, stable islands embedded in a domain of chaos in the parameter spaces, can be observed in the laboratory. Finally, we confirm that their sizes decay exponentially with the period of the attractor, a result expected to be found in maps of the quadratic family.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Upgrading Fast Pyrolysis Liquids

The liquid formed by the fast pyrolysis (FP) of biomass is commonly termed bio-oil. Biomass is converted to bio-oil through FP at 400-550°C typically at 1 atm. During FP, the biomass is held at temperature for a residence time on the order of 1-2 seconds. FP is beneficial from the standpoint that a large portion of the total mass and carbon contained in the biomass is converted and retained in the liquid bio-oil fraction. However, bio-oil is acidic, viscous, and thermally unstable. Bio-oil must be upgraded in order to be considered as a liquid transportation fuel or separated and further treated to produce value-added chemicals. Bio-oil is generally regarded as difficult to upgrade due to its thermal instability and chemical complexity which is derived in part from the incorporation of highly reactive species such as aldehydes and terminal olefins as well as the presence of sugars and anhydrosugar species which undergo secondary polymerization reactions when heated. Upgrading strategies considered in this chapter include methods to stabilize and deoxygenate bio-oil through low temperature hydroprocessing to stabilize bio-oil followed by higher temperature “deep hydrotreating” to remove the majority of oxygen present; converting bio-oil catalytically (often with zeolites such as HZSM-5) prior to condensation with catalysts inside the FP reactor or in a separate fixed or fluidized bed after the FP reactor; catalytic cracking with acid catalysts such as zeolites after condensation; or through physical or chemical separations to improve bio-oil stability, extract valuable chemicals, or produce H¬2. Bio-oil upgrading by co-processing with refinery streams such as vacuum gas oil in a fluid catalytic cracking (FCC) unit in a refinery has also been investigated. Numerous excellent reviews, perspectives and other chapters have been published in the preceding 7 years.[1-10] Reviews specific to individual sections within this chapter are at the beginning of the individual sections. This chapter is intended as an update to the original article authored by Prof. Anthony V. Bridgwater, Thermochemical Processing of Biomass: Conversion into Fuels, Chemicals and Power, First Edition, Edited by Robert C. Brown, © 2011 John Wiley & Sons, Ltd. We gratefully acknowledge the original contribution by Prof. Bridgwater and have kept much of his original discussions intact with updated references. The scope of this updated chapter includes references published since about 2010. In the interest of space many of the original references included in the original version were not included. Thus, Prof. Bridgwater’s original chapter should be viewed as a companion to this updated chapter to provide a holistic set of references to the numerous bio-oil upgrading processes discussed herein.

Albrecht, Karl O.↗
DOE OSTI2025

Advances and Challenges in Low‐Temperature Upcycling of Waste Polyolefins via Tandem Catalysis

Abstract Polyolefin waste is the largest polymer waste stream that could potentially serve as an advantageous hydrocarbon feedstock. Upcycling polyolefins poses significant challenges due to their inherent kinetic and thermodynamic stability. Traditional methods, such as thermal and catalytic cracking, are straightforward but require temperatures exceeding 400 °C for complete conversion because of thermodynamic constraints. We summarize and critically compare recent advances in upgrading spent polyolefins and model reactants via kinetic (and thermodynamic) coupling of the endothermic C─C bond cleavage of polyolefins with exothermic reactions including hydrogenation, hydrogenolysis, metathesis, cyclization, oxidation, and alkylation. These approaches enable complete conversion to desired products at low temperatures (<300 °C). The goal is to identify challenges and possible pathways for catalytic conversions that minimize energy and carbon footprints.

Zhang, Wei [State Key Laboratory of Petroleum Mole↗