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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 1,441 records · Page 80
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Boosting the cycling stability of Ni-rich layered oxide cathode by dry coating of ultrastable Li 3 V 2 (PO 4 ) 3 nanoparticles

Nickel (Ni)-rich layered oxides such as LiNi 0.6 Co 0.2 Mn 0.2 O 2 (NCM622) represent one of the most promising candidates for next-generation high-energy lithium-ion batteries (LIBs). However, the pristine Ni-rich cathode materials usually suffer from poor structural stability during cycling. In this work, we demonstrate a simple but effective approach to improve the cycling stability of the NCM622 cathode by dry coating of ultrastable Li 3 V 2 (PO 4 ) 3 -carbon (LVP-C) nanoparticles, which leads to a robust composite cathode (NCM622/LVP-C) without sacrificing the specific energy density compared with pristine NCM622. The optimal NCM622/LVP-C composite presents a high specific capacity of 162 mA h g -1 at 0.5 C and excellent cycling performance with 85.0% capacity retention after 200 cycles at 2 C, higher than that of the pristine NCM622 (67.6%). Systematic characterization confirms that the LVP-C protective layer can effectively reduce the side reactions, restrict the cation mixing of NCM622 and improve its structural stability. Moreover, the NCM622/LVP-C||graphite full cells also show a commercial-level capacity of 3.2 mA h cm -2 and much improved cycling stability compared with NCM622/LVP-C||graphite full cells, indicating the great promise for low-cost, high-capacity and long-life LIBs.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Hamiltonian magnetohydrodynamics: Lagrangian, Eulerian, and dynamically accessible stability—Theory

Stability conditions of magnetized plasma flows are obtained by exploiting the Hamiltonian structure of the magnetohydrodynamics (MHD) equations and, in particular, by using three kinds of energy principles. First, the Lagrangian variable energy principle is described and sufficient stability conditions are presented. Next, plasma flows are described in terms of Eulerian variables and the noncanonical Hamiltonian formulation of MHD is exploited. For symmetric equilibria, the energy-Casimir principle is expanded to second order and sufficient conditions for stability to symmetric perturbation are obtained. Then, dynamically accessible variations, i.e., variations that explicitly preserve invariants of the system, are introduced and the respective energy principle is considered. General criteria for stability are obtained, along with comparisons between the three different approaches.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Propagation and stability characteristics of a 500-m-long laser-based fiducial line for high-precision alignment of long-distance linear accelerators

A laser-based alignment system with a He-Ne laser has been newly developed in order to precisely align accelerator units at the KEKB injector linac. The laser beam was first implemented as a 500-m-long fiducial straight line for alignment measurements. We experimentally investigated the propagation and stability characteristics of the laser beam passing through laser pipes in vacuum. The pointing stability at the last fiducial point was successfully obtained with the transverse displacements of ±40 μm level in one standard deviation by applying a feedback control. This pointing stability corresponds to an angle of ±0.08 μrad. This report contains a detailed description of the experimental investigation for the propagation and stability characteristics of the laser beam in the laser-based alignment system for long-distance linear accelerators.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

Structure, stability, and electronic property of carbon-doped gold clusters Au{sub n}C{sup −} (n = 1–10): A density functional theory study

The equilibrium geometric structures, relative stabilities, and electronic properties of Au{sub n}C{sup −} and Au{sub n+1}{sup −} (n = 1–10) clusters are systematically investigated using density functional theory with hyper-generalized gradient approximation. The optimized geometries show that one Au atom capped on Au{sub n−1}C{sup −} clusters is a dominant growth pattern for Au{sub n}C{sup −} clusters. In contrast to Au{sub n+1}{sup −} clusters, Au{sub n}C{sup −} clusters are most stable in a quasi-planar or three-dimensional structure because C doping induces the local non-planarity while the rest of the structure continues to grow in a planar mode, resulting in an overall non-2D configuration. The relative stability calculations show that the impurity C atom can significantly enhance the thermodynamic stability of pure gold clusters. Moreover, the effect of C atom on the Au{sub n}{sup −} host decreases with the increase of cluster size. The HOMO-LUMO gap curves show that the interaction of the C atom with Au{sub n}{sup −} clusters improves the chemical stability of pure gold clusters, except for Au{sub 3}{sup −} and Au{sub 4}{sup −} clusters. In addition, a natural population analysis shows that the charges in corresponding Au{sub n}C{sup −} clusters transfer from the Au{sub n}{sup −} host to the C atom. Meanwhile, a natural electronic configuration analysis also shows that the charges mainly transfer between the 2s and 2p orbitals within the C atom.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Thermal stability and oxidation of layer-structured rhombohedral In{sub 3}Se{sub 4} nanostructures

The thermal stability and oxidation of layer-structured rhombohedral In{sub 3}Se{sub 4} nanostructures have been investigated. In-situ synchrotron X-ray diffraction in a sealed system reveals that In{sub 3}Se{sub 4} has good thermal stability up to 900 °C. In contrast, In{sub 3}Se{sub 4} has lower thermal stability up to 550 or 200 °C when heated in an atmosphere flushed with Ar or in air, respectively. The degradation mechanism was determined to be the oxidation of In{sub 3}Se{sub 4} by O{sub 2} in the heating environment. This research demonstrates how thermal processing conditions can influence the thermal stability of In{sub 3}Se{sub 4}, suggesting that appropriate heating environment for preserving its structural integrity is required.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Thermodynamic stability of nanosized multicomponent bubbles/droplets: The square gradient theory and the capillary approach

Formation of nanosized droplets/bubbles from a metastable bulk phase is connected to many unresolved scientific questions. We analyze the properties and stability of multicomponent droplets and bubbles in the canonical ensemble, and compare with single-component systems. The bubbles/droplets are described on the mesoscopic level by square gradient theory. Furthermore, we compare the results to a capillary model which gives a macroscopic description. Remarkably, the solutions of the square gradient model, representing bubbles and droplets, are accurately reproduced by the capillary model except in the vicinity of the spinodals. The solutions of the square gradient model form closed loops, which shows the inherent symmetry and connected nature of bubbles and droplets. A thermodynamic stability analysis is carried out, where the second variation of the square gradient description is compared to the eigenvalues of the Hessian matrix in the capillary description. The analysis shows that it is impossible to stabilize arbitrarily small bubbles or droplets in closed systems and gives insight into metastable regions close to the minimum bubble/droplet radii. Despite the large difference in complexity, the square gradient and the capillary model predict the same finite threshold sizes and very similar stability limits for bubbles and droplets, both for single-component and two-component systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Enhanced thermal stability of phosphate capped magnetite nanoparticles

We have studied the effect of phosphate capping on the high temperature thermal stability and magnetic properties of magnetite (Fe{sub 3}O{sub 4}) nanoparticles synthesized through a single-step co-precipitation method. The prepared magnetic nanoparticles are characterized using various techniques. When annealed in air, the phosphate capped nanoparticle undergoes a magnetic to non-magnetic phase transition at a temperature of 689 °C as compared to 580 °C in the uncoated nanoparticle of similar size. The observed high temperature phase stability of phosphate capped nanoparticle is attributed to the formation of a phosphocarbonaceous shell over the nanoparticles, which acts as a covalently attached protective layer and improves the thermal stability of the core material by increasing the activation energy. The phosphocarbonaceous shell prevents the intrusion of heat, oxygen, volatiles, and mass into the magnetic core. At higher temperatures, the coalescence of nanoparticles occurs along with the restructuring of the phosphocarbonaceous shell into a vitreous semisolid layer on the nanoparticles, which is confirmed from the small angle X-ray scattering, Fourier transform infra red spectroscopy, and transmission electron microscopy measurements. The probable mechanism for the enhancement of thermal stability of phosphocarbonaceous capped nanoparticles is discussed.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Interfacial degradation effects of aqueous solution-processed molybdenum trioxides on the stability of organic solar cells evaluated by a differential method

The authors investigate the influence of two hole interfacial materials poly (3,4-ethylenedioxythiophene):poly (styrenesulfonate) (PEDOT:PSS) and aqueous solution-processed MoO{sub 3} (sMoO{sub 3}) on cell stability. sMoO{sub 3}-based device demonstrated obviously improved stability compared to PEDOT:PSS-based one. Current-voltage characteristics analysis is carried out to investigate the effect of the hole interfacial layers on the cell stability. The formation of additional trap states at the interfaces between the hole interfacial layer and the active layer in degraded devices is verified by a differential method. Improved cell stability is attributed to a relatively stable sMoO{sub 3} interfacial layer compared to PEDOT:PSS by comparing their different trap states distributions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

How the “main condition” of phase stability can explain the effect of the velocity deviation of secondary electrons in DC-biased single-sided multipactors

In this work, a “main condition” for phase stability has been employed to investigate the effects of the velocity deviation of the electrons in DC-biased single-sided multipactors (MPs). In a previous study [M. Mostajeran, Phys. Plasmas 21, 053108 (2014)], a stability equation was derived, where the secondary electron was assumed to have zero initial velocity and the phase deviation from the resonant phase was considered. In this work, both deviations in phase and velocity from the resonant condition are taken into account, assuming nonzero initial velocity for the secondary electrons. Using the main condition for stability, it is shown that MP discharge can rise in situations, where large velocity deviations from initial velocity and large phase deviations from resonant phase exist. This is contrary to what can be predicted on the basis of the “simple stability condition.” This result is further confirmed by numerical simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Origin of molecular conformational stability: Perspectives from molecular orbital interactions and density functional reactivity theory

To have a quantitative understanding about the origin of conformation stability for molecular systems is still an unaccomplished task. Frontier orbital interactions from molecular orbital theory and energy partition schemes from density functional reactivity theory are the two approaches available in the literature that can be used for this purpose. In this work, we compare the performance of these approaches for a total of 48 simple molecules. We also conduct studies to flexibly bend bond angles for water, carbon dioxide, borane, and ammonia molecules to obtain energy profiles for these systems over a wide range of conformations. We find that results from molecular orbital interactions using frontier occupied orbitals such as the highest occupied molecular orbital and its neighbors are only qualitatively, at most semi-qualitatively, trustworthy. To obtain quantitative insights into relative stability of different conformations, the energy partition approach from density functional reactivity theory is much more reliable. We also find that the electrostatic interaction is the dominant descriptor for conformational stability, and steric and quantum effects are smaller in contribution but their contributions are indispensable. Stable molecular conformations prefer to have a strong electrostatic interaction, small molecular size, and large exchange-correlation effect. This work should shed new light towards establishing a general theoretical framework for molecular stability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

A gimbal platform stabilization for topographic applications

The aim of this work is the stabilization of a Gimbal platform for optical sensors acquisitions in topographic applications using mobile vehicles. The stabilization of the line of sight (LOS) consists in tracking the command velocity in presence of nonlinear noise due to the external environment. The hardware architecture is characterized by an Ardupilot platform that allows the control of both the mobile device and the Gimbal. Here we developed a new approach to stabilize the Gimbal platform, which is based on neural network. For the control system, we considered a plant that represents the transfer function of the servo system control model for an inertial stabilized Gimbal platform. The transductor used in the feed-back line control is characterized by the Rate Gyro transfer function installed onboard of Ardupilot. For the simulation and investigation of the system performance, we used the Simulink tool of Matlab. Results show that the hardware/software approach is efficient, reliable and cheap for direct photogrammetry, as well as for general purpose applications using mobile vehicles.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Operational electrochemical stability of thiophene-thiazole copolymers probed by resonant Raman spectroscopy

We report on the electrochemical stability of hole polarons in three conjugated polymers probed by resonant Raman spectroscopy. The materials considered are all isostructural to poly(3-hexyl)thiophene, where thiazole units have been included to systematically deepen the energy level of the highest occupied molecular orbital (HOMO). We demonstrate that increasing the thiazole content planarizes the main conjugated backbone of the polymer and improves the electrochemical stability in the ground state. However, these more planar thiazole containing polymers are increasingly susceptible to electrochemical degradation in the polaronic excited state. We identify the degradation mechanism, which targets the C=N bond in the thiazole units and results in disruption of the main polymer backbone conjugation. The introduction of thiazole units to deepen the HOMO energy level and increase the conjugated backbone planarity can be beneficial for the performance of certain optoelectronic devices, but the reduced electrochemical stability of the hole polaron may compromise their operational stability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Long-term laser frequency stabilization using fiber interferometers

We report long-term laser frequency stabilization using only the target laser and a pair of 5 m fiber interferometers, one as a frequency reference and the second as a sensitive thermometer to stabilize the frequency reference. When used to stabilize a distributed feedback laser at 795 nm, the frequency Allan deviation at 1000 s drops from 5.6 × 10{sup −8} to 6.9 × 10{sup −10}. The performance equals that of an offset lock employing a second, atom-stabilized laser in the temperature control.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

The stability of stratified spatially periodic shear flows at low Péclet number

This work addresses the question of the stability of stratified, spatially periodic shear flows at low Péclet number but high Reynolds number. This little-studied limit is motivated by astrophysical systems, where the Prandtl number is often very small. Furthermore, it can be studied using a reduced set of “low-Péclet-number equations” proposed by Lignières [“The small-Péclet-number approximation in stellar radiative zones,” Astron. Astrophys. 348, 933–939 (1999)]. Through a linear stability analysis, we first determine the conditions for instability to infinitesimal perturbations. We formally extend Squire’s theorem to the low-Péclet-number equations, which shows that the first unstable mode is always two-dimensional. We then perform an energy stability analysis of the low-Péclet-number equations and prove that for a given value of the Reynolds number, above a critical strength of the stratification, any smooth periodic shear flow is stable to perturbations of arbitrary amplitude. In that parameter regime, the flow can only be laminar and turbulent mixing does not take place. Finding that the conditions for linear and energy stability are different, we thus identify a region in parameter space where finite-amplitude instabilities could exist. Using direct numerical simulations, we indeed find that the system is subject to such finite-amplitude instabilities. We determine numerically how far into the linearly stable region of parameter space turbulence can be sustained.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Low frequency azimuthal stability of the ionization region of the Hall thruster discharge. II. Global analysis

The linear stability of the Hall thruster discharge is analysed against axial-azimuthal perturbations in the low frequency range using a time-dependent 2D code of the discharge. This azimuthal stability analysis is spatially global, as opposed to the more common local stability analyses, already afforded previously (D. Escobar and E. Ahedo, Phys. Plasmas 21(4), 043505 (2014)). The study covers both axial and axial-azimuthal oscillations, known as breathing mode and spoke, respectively. The influence on the spoke instability of different operation parameters such as discharge voltage, mass flow, and thruster size is assessed by means of different parametric variations and compared against experimental results. Additionally, simplified models are used to unveil and characterize the mechanisms driving the spoke. The results indicate that the spoke is linked to azimuthal oscillations of the ionization process and to the Bohm condition in the transition to the anode sheath. Finally, results obtained from local and global stability analyses are compared in order to explain the discrepancies between both methods.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

On the stability and compressive nonlinearity of a physiologically based model of the cochlea

Hearing relies on a series of coupled electrical, acoustical (fluidic) and mechanical interactions inside the cochlea that enable sound processing. A positive feedback mechanism within the cochlea, called the cochlear amplifier, provides amplitude and frequency selectivity in the mammalian auditory system. The cochlear amplifier and stability are studied using a nonlinear, micromechanical model of the Organ of Corti (OoC) coupled to the electrical potentials in the cochlear ducts. It is observed that the mechano-electrical transduction (MET) sensitivity and somatic motility of the outer hair cell (OHC), control the cochlear stability. Increasing MET sensitivity beyond a critical value, while electromechanical coupling coefficient is within a specific range, causes instability. We show that instability in this model is generated through a supercritical Hopf bifurcation. A reduced order model of the system is approximated and it is shown that the tectorial membrane (TM) transverse mode effect on the dynamics is significant while the radial mode can be simplified from the equations. The cochlear amplifier in this model exhibits good agreement with the experimental data. A comprehensive 3-dimensional model based on the cross sectional model is simulated and the results are compared. It is indicated that the global model qualitatively inherits some characteristics of the local model, but the longitudinal coupling along the cochlea shifts the stability boundary (i.e., Hopf bifurcation point) and enhances stability.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

On stabilization of scattering resonances in recombination reaction that forms ozone

Calculations of energy transfer in the recombination reaction that forms ozone are carried out within the framework of the mixed quantum/classical theory and using the dimensionally reduced 2D-model of ozone molecule, with bending motion neglected. Recombination rate coefficients are obtained at room temperature for symmetric and asymmetric isotopomers of singly and doubly substituted isotopologues. The processes of resonance formation, spontaneous decay, collisional dissociation, and stabilization by bath gas (Ar) are all characterized and taken into account within the steady-state approximation for kinetics. The focus is on stabilization step, where the mysterious isotopic η-effect was thought to originate from. Our results indicate no difference in cross sections for stabilization of scattering resonances in symmetric and asymmetric isotopomers. As practical results, the general and simple analytic models for stabilization and dissociation cross sections are presented, which can be applied to resonances in any ozone molecule, symmetric or asymmetric, singly or doubly substituted. Present calculations show some isotope effect that looks similar to the experimentally observed η-effect, and the origin of this phenomenon is in the rates of formation/decay of scattering resonances, determined by their widths, that are somewhat larger in asymmetric isotopomers than in their symmetric analogues. However, the approximate two-dimensional model used here is insufficient for consistent and reliable description of all features of the isotopic effect in ozone. Calculations using an accurate 3D model are still needed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Thermal transport in phase-stabilized lithium zirconate phosphates

The thermal properties of yttrium-stabilized lithium zirconate phosphate [LZP: Li 1+x+y Y x Zr 2-x (PO 4 ) 3 with x = 0.15, -0.2 ≤ y ≤ 0.4 and with x = 0.0, y = 0.0] are presented over a wide temperature range from 30 to 973 K, elucidating the interplay between structural phase transformations and thermal properties in a solid state superionic conducting material. At room temperature, the thermal conductivity decreases by more than 75% as the stoichiometry is changed from lithium deficient to excess and increases with increasing temperature, indicative of defect-mediated transport in the spark plasma sintered materials. The phase transformations and their stabilities are examined by x-ray diffraction and differential scanning calorimetry and indicate that the Y3 + substitution of Zr 4+ is effective in stabilizing the ionically conductive rhombohedral phase over the entire temperature range measured, the mechanism of which is found through ab initio theoretical calculations. Finally, these insights into thermal transport of LZP superionic conductors are valuable as they may be generally applicable for predicting material stability and thermal management in the ceramic electrolyte of future all-solid-state-battery devices.

36 MATERIALS SCIENCE↗