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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 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Regulation of the sizes of silver nanoparticles stabilized with a maleic acid copolymer and the prospect of their biotechnological use

Methods of synthesizing silver nanoparticles (SNP) of various sizes stabilized with a maleic acid copolymer are proposed. The colloidal solutions of SNP are characterized by electron spectroscopy, static and dynamic light scattering, transmission electron microscopy. The stability of the obtained SNP in solutions of hydrogen peroxide and a hydrochloric acid salt is studied, their efficiency in antimicrobial activity tests is assessed.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Fuel Properties of Oxymethylene Ethers with Terminating Groups from Methyl to Butyl

Oxymethylene ethers (OMEs) have been studied as possible additives or replacements for diesel fuels. Typically, studies have considered only methyl-terminated OMEs. Recent structure-property relationship models suggest that extended-alkyl OMEs may provide improvements to many of the properties of methyl-terminated OMEs that make them less suitable as diesel fuel blendstocks. In this work, we describe the synthesis and characterization of 16 different OMEs with methyl, ethyl, propyl, butyl, isopropyl, and isobutyl terminating alkyl groups with varying oxymethylene chain length. Indicated Cetane Number, Lower Heating Value, Flash Point, Density, Viscosity, Vapor Pressure, and Oxidative Stability are tested via ASTM standard methods. Additionally, Water Solubility, Boiling Point, seal material compatibility, and sooting propensity (via the Yield Sooting Index) are measured for these fuels. For diesel compatibility, all tested OMEs except smaller methyl and ethyl OMEs, and the branched isopropyl OME, meet cetane number requirements. Further, extending the alkyl end group increases the heating value, but all OMEs, due to their oxygen content, have heating values less than diesel; despite this, all OMEs show significant reductions in soot production per unit heating value. Only the heaviest OMEs meet diesel viscosity requirements, and most are higher density than diesel. OMEs with larger alkyl groups show the highest stability under accelerated auto-oxidation conditions. Increases in alkyl group length cause order of magnitude reduction in water solubility, from hundreds of g/L for methyl terminated OMEs to hundreds of mg/L for butyl terminated OMEs. Limited seal material testing indicates that PEEK polymers are unaffected by OMEs; while extended alkyl groups may improve compatibility with FKM (Viton), other common elastomers (NBR, silicone) remain incompatible with all tested OMEs. Overall, it is found that methyl-terminated OMEs exhibit the most potential for soot reduction, but OMEs with larger propyl and butyl terminating alkyl groups show improved compatibility with existing diesel systems.

09 BIOMASS FUELS↗
DOE OSTI2024

Sequential formulation of all‐way coupled finite strain thermoporomechanics for largely deformable gas hydrate deposits

We develop a numerically stable sequential formulation of thermoporomechanics for largely deformable gas hydrate deposits, extended from the fixed stress split of infinitesimal transformation. Constitutive equations are based on the total Lagrangian approach for both flow and geomechanics, including dynamic full tensor permeability and thermal conductivity updated from the deformation gradient. For space discretization, we take the cell-centered finite volume and node-based finite element method for flow and geomechanics, respectively. Then, we propose a sequential implicit method for all-way coupled thermoporomechanics, where the nonisothermal multiphase flow problem of gas hydrates is solved implicitly first and then the geomechanics problem is solved implicitly at the next step. During solution of the flow problem, we fix the rate of first Pioal total stress for numerical stability as well as apply porosity correction and entropy correction to account for geomechanical effects. We test numerical examples where flow and geomechanics parameters are based on deep oceanic gas hydrate deposits. When applying depressurization, even though the results between the infinitesimal transformation and finite strain geomechanics are similar in the early stages due to small deformation, we find differences between them in the late times as deformation becomes large. Accordingly, permeability and thermal conductivity tensors become nonisotropic full tensors although they are initially isotropic. Furthermore, we identify numerical stability of the developed sequential method from the test cases that exhibit the highly complex coupled gas hydrate systems with large deformation. Thus, the proposed sequential formulation can be applied in largely deformable gas hydrate systems.

42 ENGINEERING↗
DOE OSTI2020

An organogel library for solution NMR analysis of nanoparticle suspensions in non-aqueous samples

Surface contrast solution NMR methods (scNMR) are emerging as powerful tools to investigate the adsorption of small molecule ligands to the surface of nanoparticles (NP), returning fundamental insight into the kinetics and thermodynamics of sorption, as well as structural information on the adsorbed species. A prerequisite for the acquisition of high quality solution NMR data is the preparation of homogeneous and stable samples that return consistent NMR spectra and allow extensive signal averaging. Unfortunately, this condition does not apply to NMR samples containing NPs that often show a tendency to sediment and accumulate at the bottom of the NMR tube over the course of the experiment. We have recently shown that preparing NMR samples in an agarose gel matrix inhibits sedimentation and allows the characterization of small molecule-NP interactions by scNMR. Unfortunately, as the agarose gel only forms in aqueous solution, this sample preparation method cannot be used to stabilize NP suspensions in a non-aqueous environment. In this work, we introduce a library of 48 organogels, based on low molecular-mass organic gelators (LMOGs), to prepare NMR samples of small molecule/NP systems in a wide range of organic solvents. In addition, we present a simple method that takes advantage of 1H transverse relaxation (1H-R2) measurements to screen the library and identify the best gelator to characterize the small molecule-NP interaction of interest in the solvent of choice. We expect the results of this study will enable the preparation of homogeneous and stable samples of NPs in non-aqueous environments, therefore dramatically increasing the applicability of scNMR to the characterization of heterogeneous interactions and to the investigation of the role played by solvent molecules in regulating the kinetics and thermodynamics of sorption.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Differentiating Structural Changes of Glycoproteins in Solution using Small Angle Scattering Analysis

Alpha 1-Antitrypsin (A1AT) and Fibrinogen are plasma glycoproteins with different, but specific biological functions. A1AT (which forms part of the serpin family) has been shown to have protective roles of lung cells against emphysema, a disease characterized by lung tissue destruction, while fibrinogen is a major factor in the blood clotting process. While biologically distinct, the two proteins present similarities in biophysical studies due to their size and polymerization tendency. Previous approximations, using radius of gyration analysis (shape independent), have shown that there is a phase transition for A1AT under osmotic stress. The goals of this study are to better understand: the stability of A1AT's native conformation when its environment deviates from physiological conditions; and the effects on fibrin's final structure as fibrinogen undergoes polymerization under different conditions. Environmental variables include osmotic stress, crowding, and presence of other molecules (e.g. lipids, catalytic enzyme thrombin, or cholesterol) found in plasma. The method used to assess the stability of the native conformation was to observe changes in the structural envelope of the protein. Static and dynamic small angle x-ray scattering (SAXS) and small angle neutron scattering (SANS) experiments of the proteins in solution were conducted for this purpose. Scattering data was fitted using various shape dependent models in SASView. Pair distance functions (PDF) were used to validate any changes identified by the model fits. Multi-variable phase diagrams were constructed from the fitting results in order to quantify structural and conformational changes of the proteins.

Segally, Taylor N.↗
DOE OSTI2019

A parallel-in-time algorithm for variable step multistep methods

This paper presents a multigrid reduction in time (MGRIT) algorithm for achieving time parallelism using multistep backward difference formula (BDF) methods on variably-spaced temporal grids. This MGRIT approach transforms the linear multistep methods into single step methods applied to groups of time steps. Stability considerations are addressed through lowering of the order on coarse grids. The methods are presented for fixed and variable time step formulations. Furthermore, numerical results show moderate speedups for the heat equation as well as two IEEE power grid test problems characterized by nonlinear differential algebraic equations (DAE) of index 1. The performance of MGRIT with BDF is compared to MGRIT with Runge-Kutta for both the fixed and variable step methods of the same order.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Subtlety of TiO 2 phase stability: Reliability of the density functional theory predictions and persistence of the self-interaction error

TiO 2 is an important material with broad applications that can exist in different phases with dramatically different properties. Theoretical prediction of their polymorph energetics is therefore critical for the material design and for identifying thermodynamically accessible structures. Determining TiO 2 relative phase stabilities remains challenging for first-principles methods, and density functional theory is the only approach available for studying phase stabilities at finite temperatures with acceptable computational efficiency. Here, we show that density functional theory using the recently developed efficient strongly constrained and appropriately normed (SCAN) [Sun et al., Phys. Rev. Lett. 115, 036402 (2015)] exchange-correlation functional for the first time predicts the phase stability in qualitative agreement with the experimental results at realistic conditions. Further analysis shows that the self-interaction error intrinsic in the density functional persists in the stability prediction. By correcting the self-interaction error through an empirical approach, SCAN predicts the relative stability as well as defect properties in excellent agreement with the experimental results.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1992

Thermomechanical buckling and postbuckling of multilayered composite panels

A study is made of the thermomechanical buckling and postbuckling responses of flat unstiffened composite panels. The panels are subjected to combined temperature change and applied edge displacement. The analysis is based on a first-order shear deformation, von Karman type nonlinear plate theory. A mixed formulation is used with the fundamental unknowns consisting of the generalized displacements and the stress resultants of the plate. An efficient multiple-parameter reduction method is used in conjunction with mixed finite element models, for determining the stability boundary and postbuckling response. The reduction method is also used for evaluating the sensitivity coefficients which measure the sensitivity of the buckling and postbuckling responses to variations in the different lamination and material parameters of the panel. Numerical results are presented showing the effects of variations in the laminate stacking sequence, fiber orientation, number of layers and aspect ratio of the panels on their thermomechanical buckling and postbuckling responses and their sensitivity coefficients.

Noor, Ahmed K.↗
DOE OSTI2025

Efficient Simulation of Cascading Outages Using an Energy Function-Embedded Quasi-Steady-State Model

Here, this paper proposed an energy function-embedded quasi-steady-state model for efficient simulation of cascading outages on a power grid while addressing transient stability concerns. Compared to quasi-steady-state models, the proposed model incorporates short-term dynamic simulation and an energy function method to efficiently evaluate the transient stability of a power grid together with outage propagation without transient stability simulation. Cascading outage simulation using the proposed model conducts three steps for each disturbance such as a line outage. First, it performs time-domain simulation for a short term to obtain a post-disturbance trajectory. Second, along the trajectory, the system state with the local maximum potential energy is found and used as the initial point to search for a relevant unstable equilibrium by Newton's method. Third, the transient energy margin is estimated based on this unstable equilibrium to predict an out-of-step condition with generators. The proposed energy function-embedded quasi-steady-state model is tested in terms of its accuracy and time performance on an NPCC 140-bus power system and compared to a quasi-steady-state model embedding transient stability simulation.

Guo, Zhenping [Univ. of Tennessee, Knoxville, TN (↗
NASA NTRS2017

Wavefront sensing for a future HabEx space telescope.

HabEx is a concept study for a next generation space telescope having a 4 to 6.5 m primary mirror diameter. Primarily designed for exoplanet science, but also carrying general astrophysics instruments, it will have stability requirements orders of magnitude more stringent than any previously flown space-based observatory. Wavefront control, including active sensing/control of wavefront jitter and drift, will be essential to achieving and maintaining coronagraph performance. There are currently two complementary techniques that can be used to sense the wavefront drift. An attractive method is to use starlight rejected from the coronagraph to sense changes in the wavefront incident on the coronagraph mask. This method suffers from photon noise especially when imaging dim stars. It is also unavailable during slews between target stars. Laser metrology is a complementary system in which a laser “truss” enables rigid body displacements of the optics to be measured from changes in the separation of pairs of optical fiducials which can be separated by many meters. In closed loop with actuated optics, laser metrology actively maintains rigid body alignment of the front-end optics, thereby eliminating the dominant source of wavefront drift. This method can maintain rigid body stability of the telescope optics and thereby wavefront control, even during slews between targets.

Martin, Stefan↗
DOE OSTI2025

Pointing stabilization of a 1 Hz high-power laser via machine learning

Abstract High-power lasers are vital for particle acceleration, imaging, fusion and materials processing, requiring precise control and high-energy delivery. Laser plasma accelerators (LPAs) demand laser positional stability at focus to ensure consistent electron beams in applications such as X-ray free-electron lasers and high-energy colliders. Achieving this stability is especially challenging for the low-repetition-rate lasers in current LPAs. We present a machine learning method that predicts and corrects laser pointing instabilities in real-time using a high-frequency pilot beam. By preemptively adjusting a correction mirror, this approach overcomes traditional feedback limits. Demonstrated on the BELLA petawatt laser operating at the terawatt level (30 mJ amplification), our method achieved root mean square pointing stabilization of 0.34 and 0.59 $\unicode{x3bc} \mathrm{rad}$ in the x and y directions, reducing jitter by 65% and 47%, respectively. This is the first successful application of predictive control for shot-to-shot stabilization in low-repetition-rate laser systems, paving the way for full-energy petawatt lasers and transformative advances across science, industry and security.

Amodio, Alessio↗
DOE OSTI2023

Decoding Zeolite Crystallization and Stage III in Nuclear Waste Glasses by Coupled Modeling and Experiments

Under specific conditions of pH and temperature, nuclear waste immobilization borosilicate glasses may exhibit a sudden acceleration in their corrosion kinetics (stage III)—a behavior that has been associated with the formation of zeolite crystals. Such accelerated dissolution may compromise the integrity of nuclear wasteforms placed in geological depositories. However, thus far, none of the available models is able to predict the thermodynamic propensity and kinetics of zeolite precipitation as a function of the solution conditions due to (i) a lack of fundamental knowledge regarding the nucleation & growth mechanisms of zeolitic phases, (ii) uncertainty regarding the compositions (types) of zeolites that may form and the rate-limiting step in their precipitation as a function of the solution conditions, and (iii) the complexities that arise due to the vast parametric space (i.e., solution chemistry, temperature, number of secondary phases, etc.) that encompass these systems under conditions of environmental exposure. To resolve these challenges, this project aimed to unambiguously identify the thermodynamic propensity for zeolite precipitation and the kinetics thereof as a function of the solution conditions (composition, pH, and temperature). To achieve this goal: 1) We identified the solution conditions and zeolite phases relevant to nuclear glass dissolution. 2) We performed a series of ab initio molecular dynamics (AIMD) simulations to compute the thermodynamic properties of a group of characteristic zeolites that features a large range of compositions, various hydration levels, a wide range of framework structures, and partial atomic site occupancies. 3) We released a first-of-a-kind self-consistent thermodynamic database that can be used to assess the kinetics and the stability fields of zeolitic phases within a Gibbs energy minimization (GEM) framework. 4) We developed a robust geochemical modeling method allowing us to predict the stability of secondary phases (including zeolites, calcium–silicate–hydrate gels, and clays) upon the dissolution of nuclear waste immobilization glasses. 5) We introduced a model that predicts the dissolution kinetics of a series of borosilicate nuclear waste immobilization glasses in terms of the topology of their atomic network. 6) We investigated the roles of the solution composition on the crystallization kinetics of phillipsite zeolites and tobermorite silicate hydrates. Via PNNL’s collaboration and engagement, this project directly supports DOE’s nuclear waste immobilization activities by offering a technical, science-based foundation that will (i) facilitate predictions of the long-term corrosion rates and extents of existing nuclear waste immobilization glasses to help ensure safe and successful vitrification operations, (ii) inform the development of advanced glass formulations with enhanced durability, and, (iii) enable cost-savings that result from making more decisive and hence less conservative predictions while offering higher levels of nuclear waste embedment in smaller, more compact glass volumes.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1991

Applications of singular value analysis and partial-step algorithm for nonlinear orbit determination

An adaptive method in which cruise and nonlinear orbit determination problems can be solved using a single program is presented. It involves singular value decomposition augmented with an extended partial step algorithm. The extended partial step algorithm constrains the size of the correction to the spacecraft state and other solve-for parameters. The correction is controlled by an a priori covariance and a user-supplied bounds parameter. The extended partial step method is an extension of the update portion of the singular value decomposition algorithm. It thus preserves the numerical stability of the singular value decomposition method, while extending the region over which it converges. In linear cases, this method reduces to the singular value decomposition algorithm with the full rank solution. Two examples are presented to illustrate the method's utility.

Ryne, Mark S.↗
NASA NTRSDate not supplied

Design of a Thruster Vector Servo-Elastic Filter

This presents a method to improve the thruster vector servo elasticity (TVSE) stability. TVSE is the coupling between the TVC system engine dynamics and the vehicle flexible modes. It can lead to instability of the flexible modes due to the energy injection from the thrust. For large boosters with heavy TVC engine, TVSE is more likely to cause instability. This instability is part of the plant dynamics and is not detected by the flight control. In this paper, the TVSE is treated as a disturbance rejection problem with the inertial force of the flexible motion viewed as an external disturbance to the TVC actuator control system. By effectively rejecting this disturbance, the engine can be decoupled from the flexible dynamics thus improving TVSE stability. The actuator disturbance transfer function is modified by inserting a TVSE filter into the control system. The filter aims to reduce the magnitude and introduce phase lead of the disturbance transfer function over the TVSE sensitive frequency range while maintaining adequate stability margins of the actuator control system. A prefilter is also designed for good command tracking. The filter and prefilter resulting from this method are usually of low order and can be included to the existing actuator controller if the controller is programmable. This method was demonstrated for a hydraulic Simplex actuator model. Its applications to SLS B1 and B2 TVC actuator are also described. B2 actuator controller is modified based on this method. The tradeoff between TVSE stability and the control system stability can be balanced by adjusting the amount of phase lead introduced by the TVSE filter. This method provides a useful way to solve the TVSE instability issue without costly and time-consuming a TVC system redesign. This method is based on the basic control principles of loop shaping and disturbance rejection and has been proven to be effective under proper circum-stances.

Thrust vector control↗
NASA NTRS1986

Polynomial elimination theory and non-linear stability analysis for the Euler equations

Numerical methods are presented that exploit the polynomial properties of discretizations of the Euler equations. It is noted that most finite difference or finite volume discretizations of the steady-state Euler equations produce a polynomial system of equations to be solved. These equations are solved using classical polynomial elimination theory, with some innovative modifications. This paper also presents some preliminary results of a new non-linear stability analysis technique. This technique is applicable to determining the stability of polynomial iterative schemes. Results are presented for applying the elimination technique to a one-dimensional test case. For this test case, the exact solution is computed in three iterations. The non-linear stability analysis is applied to determine the optimal time step for solving Burgers' equation using the MacCormack scheme. The estimated optimal time step is very close to the time step that arises from a linear stability analysis.

Kennon, S. R.↗
NASA NTRS1951

On stability and turbulence of fluid flows

This investigation is divided into two parts, the treatment of the stability problem of fluid flows on the one hand, and that of the turbulent motion on the other. The first part summarizes all previous investigations under a unified point of view, that is, sets up as generally as possible the conditions under which a profile possesses unstable or stable characteristics, and indicates the methods for solution of the stability equation for any arbitrary velocity profile and for calculation of the critical Reynolds number for unstable profiles. In the second part, under certain greatly idealizing assumptions, differential equations for the turbulent motions are derived and from them qualitative information about several properties of the turbulent velocity distribution is obtained.

FLOW, TURBULENT↗
DOE OSTI2021

First principles study of the stability and thermal conductivity of novel Li-Be hybrid ceramics

Hybrid Li-Be ceramics, combining both tritium (T) breeder (Li) and neutron multiplier (Be) for use as part of the fuel cycle of future nuclear fusion reactors are proposed. The development of such hybrid materials may reduce thermal gradients through better matching of thermal properties, mitigating the detrimental effects that may accompany traditional breeder systems while maintaining acceptable neutron multiplication and T breeding. Here, first-principles methods are used to investigate stability and thermal transport properties of a set of compounds containing both Li and Be. It is demonstrated that BeLi 2 O 4 Ge and BeLi 2 O 4 Si are mechanically stable and have formation energies comparable with leading candidates for solid state breeder materials, Li 2 TiO 3 , Li 2 ZrO 3 . It is also demonstrated that similar to the leading candidates, these compounds are insulators with thermal transport defined by phonons. The calculated thermal conductivity of BeLi 2 O 4 Ge is slightly higher compared to Li 2 TiO 3 or Li 2 ZrO 3 while in the BeLi 2 O 4 Si it is almost three times higher compared to the rest of compounds due to a higher phonon group velocities and increased phonon lifetimes. These results indicate that hybrid Li-Be ceramics offer a potential route towards better matching of thermal properties with minimal functional property degradation, thereby offering better overall fuel cycle performance.

36 MATERIALS SCIENCE↗