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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Small Gas Bubble Experiment for Mitigation of Cavitation Damage and Pressure Waves in Short-pulse Mercury Spallation Targets

Populations of small helium gas bubbles were introduced into a flowing mercury experiment test loop to evaluate mitigation of beam-pulse induced cavitation damage and pressure waves. The test loop was developed and thoroughly tested at the Spallation Neutron Source (SNS) prior to irradiations at the Los Alamos Neutron Science Center - Weapons Neutron Research Center (LANSCE-WNR) facility. Twelve candidate bubblers were evaluated over a range of mercury flow and gas injection rates by use of a novel optical measurement technique that accurately assessed the generated bubble size distributions. Final selection for irradiation testing included two variations of a swirl bubbler provided by Japan Proton Accelerator Research Complex (J-PARC) collaborators and one orifice bubbler developed at SNS. Bubble populations of interest consisted of sizes up to 150 m in radius with achieved gas void fractions in the 10^-5 to 10^-4 range. The nominal WNR beam pulse used for the experiment created energy deposition in the mercury comparable to SNS pulses operating at 2.5 MW. Nineteen test conditions were completed each with 100 pulses, including variations on mercury flow, gas injection and protons per pulse. The principal measure of cavitation damage mitigation was surface damage assessment on test specimens that were manually replaced for each test condition. Damage assessment was done after radiation decay and decontamination by optical and laser profiling microscopy with damaged area fraction and maximum pit depth being the more valued results. Damage was reduced by flow alone; the best mitigation from bubble injection was between half and a quarter that of flow alone. Other data collected included surface motion tracking by three laser Doppler vibrometers (LDV), loop wall dynamic strain, beam diagnostics for charge and beam profile assessment, embedded hydrophones and pressure sensors, and sound measurement by a suite of conventional and contact microphones.

bubbles↗
DOE OSTI2021

Surface Salinity Under Transitioning Ice Cover in the Canada Basin: Climate Model Biases Linked to Vertical Distribution of Fresh Water

Abstract The Canada Basin has exhibited a significant trend toward a fresher surface layer and thus a more stratified upper‐ocean over the past three decades. State‐of‐the‐art ice‐ocean models, by contrast, tend to simulate a surface layer that is saltier and less stratified than observed. Here, we examine decadal changes to seasonal processes that may contribute to this wide‐reaching model bias using climate model simulations from the Community Earth System Model and below‐ice observations from the Arctic Ice Dynamics Joint Experiment in 1975 and Ice Tethered Profilers in 2006–2012. In contrast to the observations, the models simulate salinity profiles that show relatively little variation between 1975 and 2012. We demonstrate that this bias can be mainly attributed to unrealistically deep vertical mixing in the model, creating a surface layer that is saltier than observed. The results provide insight for climate model improvement with broad implications for Arctic sea ice and ecosystem dynamics.

58 GEOSCIENCES↗
DOE OSTI2013

The liquid surface of chiral ionic liquids as seen from molecular dynamics simulations combined with intrinsic analysis

We present molecular-level insight into the liquid/gas interface of two chiral room-temperature ionic liquids (RTILs) derived from 1-n-butyl-3-methylimidazolium bromide ([bmim][Br]); namely, (R)-1-butyl-3-(3-hydroxy-2-methylpropyl)imidazolium bromide (hydroxypropyl) and 1-butyl-3-[(1R)-nopyl]imidazolium bromide (nopyl). We use our currently developed force field which was validated against the experimental bulk density, heat of vaporization, and surface tension of [bmim][Br]. The force field for the RTILs adopts the Chemistry at Harvard Molecular Mechanics (CHARMM) parameters for the intramolecular and repulsion-dispersion interactions along with the reduced partial atomic charges based on ab initio calculations. The net charges of the ions are around ±0.8e, which mimic the anion to cation charge transfer and many-body effects. Molecular dynamics simulations in the slab geometry combined with the intrinsic interface analysis are employed to provide a detailed description of the RTIL/gas interface in terms of the structural and dynamic properties of the interfacial, sub-interfacial, and central layers at a temperature of 300 K. The focus is on the comparison of the liquid/gas interface for the chiral RTILs with the interface for parent [bmim][Br]. The structure of the interface is elucidated by evaluating the surface roughness, intrinsic atomic density profiles, and orientation ordering of the cations. The dynamics of the ions at the interfacial region is characterized by computing the survival probability, and normal and lateral self-diffusion coefficients in the layers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Bacterial Membranes Are More Perturbed by the Asymmetric Versus Symmetric Loading of Amphiphilic Molecules

Characterizing the biophysical properties of bacterial membranes is critical for understanding the protective nature of the microbial envelope, interaction of biological membranes with exogenous materials, and designing new antibacterial agents. Presented here are molecular dynamics simulations for two cationic quaternary ammonium compounds, and the anionic and nonionic form of a fatty acid molecule interacting with a Staphylococcus aureus bacterial inner membrane. The effect of the tested materials on the properties of the model membranes are evaluated with respect to various structural properties such as the lateral pressure profile, lipid tail order parameter, and the bilayer’s electrostatic potential. Conducting asymmetric loading of molecules in only one leaflet, it was observed that anionic and cationic amphiphiles have a large impact on the Staphylococcus aureus membrane’s electrostatic potential and lateral pressure profile as compared to a symmetric distribution. Nonintuitively, we find that the cationic and anionic molecules induce a similar change in the electrostatic potential, which points to the complexity of membrane interfaces, and how asymmetry can induce biophysical consequences. Finally, we link changes in membrane structure to the rate of electroporation for the membranes, and again find a crucial impact of introducing asymmetry to the system. Understanding these physical mechanisms provides critical insights and viable pathways for the rational design of membrane-active molecules, where controlling the localization is key.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Time-series dissolved oxygen, other bigeochemically-relevant analytes, and pressure gradients associated with the manuscript “Dissolved oxygen sensor in an automated hyporheic sampling system reveals biogeochemical dynamics”

This dataset contains time-series data from a vertical profile within the bed and banks of the Columbia river near Richland, WA. Water was sampled through 3 small tubes embedded in the sediment at 50,100, and 200 cm below the sediment-water interface. The goal of this study was to observe the correlations between hydraulic drivers and biogeochemical responses. The results of this study are published in the manuscript “Dissolved oxygen sensor in an automated hyporheic sampling system reveals biogeochemical dynamics”. The file types included in the data package are all time-series spreadsheet data, including hydraulic head gradients, physical parameters (temperature, pressure, SpC (specific conductivity)), and biogeochemical parameters (dissolved oxygen, pH, NO3 (nitrate) and ORP (oxidation-reduction potential)).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Coupled modeling of a directly heated tubular solar receiver for supercritical carbon dioxide Brayton cycle: Optical and thermal-fluid evaluation

In single phase performance and appealing thermo-physical properties supercritical carbon dioxide (s-CO 2 ) make a good heat transfer fluid candidate for concentrating solar power (CSP) technologies. The development of a solar receiver capable of delivering s-CO 2 at outlet temperatures ~973 K is required in order to merge CSP and s-CO 2 Brayton cycle technologies. A coupled optical and thermal-fluid modeling effort for a tubular receiver is undertaken to evaluate the direct tubular s-CO 2 receiver’s thermal performance when exposed to a concentrated solar power input of ~0.3–0.5 MW. Ray tracing, using SolTrace, is performed to determine the heat flux profiles on the receiver and computational fluid dynamics (CFD) determines the thermal performance of the receiver under the specified heating conditions. Moreover, an in-house MATLAB code is developed to couple SolTrace and ANSYS Fluent. CFD modeling is performed using ANSYS Fluent to predict the thermal performance of the receiver by evaluating radiation and convection heat loss mechanisms. Understanding the effects of variation in heliostat aiming strategy and flow configurations on the thermal performance of the receiver was achieved through parametric analyses. Finally, a receiver thermal efficiency ~85% was predicted and the surface temperatures were observed to be within the allowable limit for the materials under consideration.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Rationalization of Reduced Penetration of Drugs through Ceramide Gel Phase Membrane

Since computing resources have advanced enough to allow routine molecular simulation studies of drug molecules interacting with biologically relevant membranes, a considerable amount of work has been carried out with fluid phospholipid systems. However, there is very little work in the literature on drug interactions with gel phase lipids. This poses a significant limitation for understanding permeation through the stratum corneum where the primary pathway is expected to be through a highly ordered lipid matrix. To address this point, we analyzed the interactions of p-aminobenzoic acid (PABA) and its ethyl (benzocaine) and butyl (butamben) esters with two membrane bilayers, which differ in their fluidity at ambient conditions. We considered a dioleoylphosphatidylcholine (DOPC) bilayer in a fluid state and a ceramide 2 (CER2, ceramide NS) bilayer in a gel phase. We carried out unbiased (100 ns long) and biased z-constraint molecular dynamics simulations and calculated the free energy profiles of all molecules along the bilayer normal. The free energy profiles converged significantly slower for the gel phase. While the compounds have comparable affinities for both membranes, they exhibit penetration barriers almost 3 times higher in the gel phase CER2 bilayer. This elevated barrier and slower diffusion in the CER2 bilayer, which are caused by the high ordering of CER2 lipid chains, explain the low permeability of the gel phase membranes. We also compared the free energy profiles from MD simulations with those obtained from COSMOmic. This method provided the same trends in behavior for the guest molecules in both bilayers; however, the penetration barriers calculated by COSMOmic did not differ between membranes. Finally, we show how membrane fluid properties affect the interaction of drug-like molecules with membranes.

chemistry↗
DOE OSTI2023

Diffusion of Brønsted acidic dopants in conjugated polymers

Many semiconductor devices (e.g., light emitting diodes and photovoltaics) utilize heterojunctions of doped and undoped layers or depend on gradients of electronic doping to control charge transport. Understanding of the formation and stability of gradients in doping requires an understanding of diffusion of dopants and the complex changes in polymer properties that arise during doping. Conjugated polymers can be electrically doped by strong acids, but the details of the reaction mechanism and subsequent stability are not understood. Here, we show a clear kinetic isotope effect in the doping of thin films of poly(3-hexylthiophene) (P3HT) by bis(trifluoromethane)sulfonimide (HTFSI) from solution indicating that this doping process is limited by proton transfer to the polymer. Complementary X-ray photoelectron spectroscopy and dynamic secondary ion mass spectrometry (DSIMS) depth profiling of dopant concentrations show definitive evidence of dopant enrichment at the P3HT surface. These surface-limited concentration profiles suggest that diffusivity of dopants vary inversely with dopant concentration due to doping-induced changes to the structure of the conjugated polymer.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

High-resolution and site-specific scanning spreading resistance microscopy and its applications to silicon devices

Due to the continuous reduction of the critical dimensions of semiconductor devices, it becomes very important to know the two dimensional (2D) doping profile for improving device performance. Scanning spreading resistance microscopy (SSRM) performed in high vacuum is a powerful technique for quantitative 2D-doping profiling, with high spatial resolution and wide dynamic range of carrier concentration, as well as capability of site-specific analysis for accurate position. In this paper, we review SSRM applications to source/drain engineering in Si devices and their correlation with device characteristics by demonstrating several case studies. Direct observation of (110)/(100) CMOSFETs clarified significant differences between both pFETs and nFETs on (110) and (100) silicon substrates, revealing 2D channeling effect of boron ion implantation in pFETs; as well as silicidation impact on junction leakage-current characteristics in nFETs. Furthermore, our sample-preparation breakthrough enables site-specific SSRM characterization within 60 nm ultra thin samples and therefore failure analysis of real SRAM devices, demonstrating the high potential of SSRM technology for further device scaling and for failure analysis.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Investigation of thermodynamic equilibrium in laser-induced aluminum plasma using the H{sub α} line profiles and Thomson scattering spectra

We have studied isothermal equilibrium in the laser-induced plasma from aluminum pellets in argon at pressure of 200 mbar by using a method which combines the standard laser Thomson scattering and analysis of the H{sub α}, Stark-broadened, line profiles. Plasma was created using 4.5 ns, 4 mJ pulses from a Nd:YAG laser at 1064 nm. While electron density and temperature were determined from the electron feature of Thomson scattering spectra, the heavy particle temperature was obtained from the H{sub α} full profile applying computer simulation including ion-dynamical effects. We have found strong imbalance between these two temperatures during entire plasma evolution which indicates its non-isothermal character. At the same time, according to the McWhirter criterion, the electron density was high enough to establish plasma in local thermodynamic equilibrium.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Stress relaxation in vanadium under shock and shockless dynamic compression

Evolutions of elastic-plastic waves have been recorded in three series of plate impact experiments with annealed vanadium samples under conditions of shockless and combined ramp and shock dynamic compression. The shaping of incident wave profiles was realized using intermediate base plates made of different silicate glasses through which the compression waves were entered into the samples. Measurements of the free surface velocity histories revealed an apparent growth of the Hugoniot elastic limit with decreasing average rate of compression. The growth was explained by “freezing” of the elastic precursor decay in the area of interaction of the incident and reflected waves. A set of obtained data show that the current value of the Hugoniot elastic limit and plastic strain rate is rather associated with the rate of the elastic precursor decay than with the local rate of compression. The study has revealed the contributions of dislocation multiplications in elastic waves. It has been shown that independently of the compression history the material arrives at the minimum point between the elastic and plastic waves with the same density of mobile dislocations.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Brillouin light scattering study of transverse mode coupling in confined yttrium iron garnet/barium strontium titanate multiferroic

Using the space-resolved Brillouin light scattering spectroscopy we study the transformation of dynamic magnetization patterns in a bilayer multiferroic structure. We show that in the comparison with a single yttrium iron garnet (YIG) film magnetization distribution is transformed in the bilayer structure due to the coupling of waves propagating both in an YIG film (magnetic layer) and in a barium strontium titanate slab (ferroelectric layer). We present a simple electrodynamic model using the numerical finite element method to show the transformation of eigenmode spectrum of confined multiferroic. In particular, we demonstrate that the control over the dynamic magnetization and the transformation of spatial profiles of transverse modes in magnetic film of the bilayer structure can be performed by the tuning of the wavevectors of transverse modes. The studied confined multiferroic stripe can be utilized for fabrication of integrated dual tunable functional devices for magnonic applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Characterization of a new ultra-high pressure shock tube facility for combustion and propulsion studies

A new shock tube facility has been designed, constructed, and characterized at the University of Central Florida. This facility is capable of withstanding pressures of up to 1000 atm, allowing for combustion diagnostics of extreme conditions, such as in rocket combustion chambers or in novel power conversion cycles. For studies with toxic gas impurities, the high initial pressures required the development of a gas delivery system to ensure the longevity of the facility and the safety of the personnel. Data acquisition and experimental propagation were implemented with remote access to ensure safety, paired with a LabVIEW- and Python-based user interface. Thus far, test pressures of 270 atm, blast pressures of 730 atm, and temperatures approaching 10 000 K have been achieved. The extreme limitations of this facility allow for emission spectroscopy to be performed during the oxidation of fuel mixtures, e.g., alkanes diluted in argon and carbon dioxide. Ignition delay times were determined and compared to simulations using chemical kinetic mechanisms. The design, experimental procedures, processes of analysis, and uncertainty determination are outlined, and typical pressure profiles are compared with a new gas dynamics solver and empirical correlations developed across multiple shock tube facilities. Preliminary reactive mixture analyses are included with further investigation of the mixtures outlined.

47 OTHER INSTRUMENTATION↗
DOE OSTI2018

Laser pulse self-compression in an active fibre with a finite gain bandwidth under conditions of a nonstationary nonlinear response

We study the influence of a nonstationary nonlinear response of a medium on self-compression of soliton-like laser pulses in active fibres with a finite gain bandwidth. Based on the variational approach, we qualitatively analyse the self-action of the wave packet in the system under consideration in order to classify the main evolution regimes and to determine the minimum achievable laser pulse duration during self-compression. The existence of stable soliton-type structures is shown in the framework of the parabolic approximation of the gain profile (in the approximation of the Gnizburg – Landau equation). An analysis of the self-action of laser pulses in the framework of the nonlinear Schrödinger equation with a sign-constant gain profile demonstrate a qualitative change in the dynamics of the wave field in the case of a nonstationary nonlinear response that shifts the laser pulse spectrum from the amplification region and stops the pulse compression. Expressions for a minimum duration of a soliton-like laser pulse are obtained as a function of the problem parameters, which are in good agreement with the results of numerical simulation. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Vertical equilibrium, energetics, and star formation rates in magnetized galactic disks regulated by momentum feedback from supernovae

Recent hydrodynamic (HD) simulations have shown that galactic disks evolve to reach well-defined statistical equilibrium states. The star formation rate (SFR) self-regulates until energy injection by star formation feedback balances dissipation and cooling in the interstellar medium (ISM), and provides vertical pressure support to balance gravity. In this paper, we extend our previous models to allow for a range of initial magnetic field strengths and configurations, utilizing three-dimensional, magnetohydrodynamic (MHD) simulations. We show that a quasi-steady equilibrium state is established as rapidly for MHD as for HD models unless the initial magnetic field is very strong or very weak, which requires more time to reach saturation. Remarkably, models with initial magnetic energy varying by two orders of magnitude approach the same asymptotic state. In the fully saturated state of the fiducial model, the integrated energy proportions E{sub turb}:E{sub th}:δE{sub mag}: E-bar {sub mag} are 0.35:0.39:0.15:0.11, while the proportions of midplane support P{sub turb}:P{sub th}:δΠ{sub mag}: Π-bar {sub mag} are 0.49:0.18:0.18:0.15. Vertical profiles of total effective pressure satisfy vertical dynamical equilibrium with the total gas weight at all heights. We measure the “feedback yields” η{sub c}≡P{sub c}/Σ{sub SFR} (in suitable units) for each pressure component, finding that η{sub turb}∼3.5−4 and η{sub th}∼1.1−1.4 are the same for MHD as in previous HD simulations, and δη{sub mag}∼1.3−1.5. These yields can be used to predict the equilibrium SFR for a local region in a galaxy based on its observed gas and stellar surface densities and velocity dispersions. As the ISM weight (or dynamical equilibrium pressure) is fixed, an increase in η from turbulent magnetic fields reduces the predicted Σ{sub SFR} by ∼20−30% relative to the HD case.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Measurement of a radial flow profile with eddy current flow meters and deep neural networks

Eddy current flow meters (ECFMs) measure flows of conductive fluids. Recent interest in ECFMs has increased due to applications in advanced nuclear reactors. ECFMs are well suited for such applications, as they can provide non-invasive measurements of flow in fluids that are often difficult to measure. Traditionally, ECFMs are operated using an alternating current at a single frequency, limiting ECFMs to measure average fluid velocities, blockages, or voids. Here, we expand the capabilities of ECFMs by measuring the fluid radial velocity profile of liquid mercury. To accomplish this, we made several ECFM sensitivity measurements at a range of frequencies. Different frequencies vary the electromagnetic skin depth of the device. By adjusting frequencies, we probed the fluid velocity at various radial locations and constructed a flow-velocity profile. The relationship between the ECFM measurements and velocity profile is nonlinear and requires solving an inverse problem. Using electromagnetic finite-element simulations to train a deep neural network (DNN), we created a model that provides a stable general relationship between the sensitivity measurements of an ECFM and the fluid velocity profile. Using ECFM measurements of liquid mercury, our DNN model calculates a flow profile that agrees well with computational fluid dynamics (CFD) simulations. This technique has potential to improve flow monitoring for optimization, safe operation of conductive fluid loops, and/or validating complex CFD models.

47 OTHER INSTRUMENTATION↗
DOE OSTI2015

Dynamical constraints on the dark matter distribution in the Milky Way

An accurate knowledge of the dark matter distribution in the Milky Way is of crucial importance for galaxy formation studies and current searches for particle dark matter. In this paper we set new dynamical constraints on the Galactic dark matter profile by comparing the observed rotation curve, updated with a comprehensive compilation of kinematic tracers, with that inferred from a wide range of observation-based morphologies of the bulge, disc and gas. The generalised Navarro-Frenk-White (NFW) and Einasto dark matter profiles are fitted to the data in order to determine the favoured ranges of local density, slope and scale radius. For a representative baryonic model, a typical local circular velocity v{sub 0}=230 km/s and a distance of the Sun to the Galactic centre R{sub 0}=8 kpc, we find a local dark matter density ρ{sub 0} = 0.420{sup +0.021}{sub −0.018} (2σ) ± 0.025 GeV/cm{sup 3} (ρ{sub 0} = 0.420{sup +0.019}{sub −0.021} (2σ) ± 0.026 GeV/cm{sup 3}) for NFW (Einasto), where the second error is an estimate of the systematic due to baryonic modelling. Apart from the Galactic parameters, the main sources of uncertainty inside and outside the solar circle are baryonic modelling and rotation curve measurements, respectively. Upcoming astronomical observations are expected to reduce all these uncertainties substantially over the coming years.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Challenges to Reliable Production Nitrogen Doping of Nb for SRF Accelerating Cavities

Over the last several years, alloying of the surface layer of niobium SRF cavities has been demonstrated to beneficially lower the superconducting RF surface resistance. Nitrogen, titanium, and oxygen have all been demonstrated as effective alloying agents, occupying interstitial sites in the niobium lattice within the RF penetration depth and even deeper, when allowed to thermally diffuse into the surface at appropriate temperatures. The use of nitrogen for this function has been often termed ’nitrogen doping’ and is being applied in the LCLS-II and LCLS-II HE projects. We report characterization studies of the distribution of nitrogen into the exposed niobium surface and how such distribution is affected by the quality of the vacuum furnace environment in which the doping takes place, and the complexity of nitride crystal growth on different grain orientations of surface niobium. Using state-of-the-art quantification methods by dynamic secondary ion mass spectrometry (SIMS) depth profiling in niobium, we identify several phenomena involving furnace-sourced contamination. We also highlight a potential issue with N₂ flow constraints from the flange ’caps’ used during heat treatments.

Reece, Charles↗