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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 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Asymptotically safe non-minimal inflation

We study the constraints imposed by the requirement of Asymptotic Safety on a class of inflationary models with an inflaton field non-minimally coupled to the Ricci scalar. The critical surface in the space of theories is determined by the improved renormalization group flow which takes into account quantum corrections beyond the one loop approximation. The combination of constraints deriving from Planck observations and those from theory puts severe bounds on the values of the parameters of the model and predicts a quite large tensor to scalar ratio. We finally comment on the dependence of the results on the definition of the infrared energy scale which parametrises the running on the critical surface.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Structure-Property Relationships of Polymer Brushes in Restricted Geometries and their Utilization as Ultra-Low Lubricants

Though polymer films are widely used to modify or tailor the physical, chemical and mechanical properties of interfaces in both solid and liquid systems, the rational design of interface- or surface-active polymer modifiers has been hampered by a lack of information about the behavior and structure-property relationships of this class of molecules. This is especially true for systems in which the role of the polymer is to modify the interaction between two solid surfaces in intimate contact and under load, to cause them to be mechanically coupled (e.g. to promote adhesion and wetting) or to minimize their interaction (e.g. lubrication, colloidal stabilization, etc.). Detailed structural information on these systems has largely been precluded by the many difficulties and challenges associated with direct experimental measurements of polymer structure in these geometries. As a result, many practitioners have been forced to employ indirect measurements or rely wholly on theoretical modeling. This has resulted in an incomplete understanding of the structure-property relationships, which are relied upon for the rational design of improved polymer modifiers. Over the course of this current research program, we made direct measurements of the structure of polymers at the interface between two solid surfaces under confinement and elucidated the fundamental physics behind these phenomena using atomistic and coarse grained simulations. The research has potential to lead to new lubricants and wear reducing agents to improve efficiency.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Regional 3-D Geophysical Characterization of the Nevada National Security Site

We perform a joint inversion of absolute and differential P and S body waves, gravity measurements, and surface wave dispersion curves for the 3-D P- and S-wave velocity structure of the Nevada National Security Site (NNSS) and vicinity. Data from earthquakes, past nuclear tests, and other active source chemical explosive experiments, such as the Source Physics Experiments (SPE), are combined with surface wave phase and group speed measurements from ambient noise, source interferometry, and active source experiments to construct a 3-D velocity model of the site with resolvable structures as fine as 6 km horizontal and 2 km vertically. Results compare favorably with previous studies and expand and extend the knowledge of the 3-D structure of the region.

42 ENGINEERING↗
DOE OSTI2013

Surface barrier height for different Al compositions and barrier layer thicknesses in AlGaN/GaN heterostructure field effect transistors

In this paper, we present a physics based analytical model for the calculation of surface barrier height for given values of barrier layer thicknesses and Al mole fractions. An explicit expression for the two dimensional electron gas density is also developed incorporating the change in polarization charges for different Al mole fractions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Reactions of water and C1 molecules on carbide and metal-modified carbide surfaces

The formation of carbides can significantly modify the physical and chemical properties of the parent metals. In the current review, we summarize the general trends in the reactions of water and C1 molecules over transition metal carbide (TMC) and metal-modified TMC surfaces and thin films. Although the primary focus of the current review is on the theoretical and experimental studies of reactions of C1 molecules (CO, CO 2 , CH 3 OH, etc.), the reactions of water will also be reviewed because water plays an important role in many of the C1 transformation reactions. This review is organized by discussing separately thermal reactions and electrochemical reactions, which provides insights into the application of TMCs in heterogeneous catalysis and electrocatalysis, respectively. In thermal reactions, we discuss the thermal decomposition of water and methanol, as well as the reactions of CO and CO 2 over TMC surfaces. In electrochemical reactions, we summarize recent studies in the hydrogen evolution reaction, electrooxidation of methanol and CO, and electroreduction of CO 2 . Lastly, future research opportunities and challenges associated with using TMCs as catalysts and electrocatalysts are also discussed.

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

Summary of ORSphere Critical and Reactor Physics Measurements

In the early 1970s Dr. John T. Mihalczo (team leader), J. J. Lynn, and J. R. Taylor performed experiments at the Oak Ridge Critical Experiments Facility (ORCEF) with highly enriched uranium (HEU) metal (called Oak Ridge Alloy or ORALLOY) to recreate GODIVA I results with greater accuracy than those performed at Los Alamos National Laboratory in the 1950s. The purpose of the Oak Ridge ORALLOY Sphere (ORSphere) experiments was to estimate the unreflected and unmoderated critical mass of an idealized sphere of uranium metal corrected to a density, purity, and enrichment such that it could be compared with the GODIVA I experiments. This critical configuration has been evaluated. Preliminary results were presented at ND2013. Since then, the evaluation was finalized and judged to be an acceptable benchmark experiment for the International Criticality Safety Benchmark Experiment Project (ICSBEP). Additionally, reactor physics measurements were performed to determine surface button worths, central void worth, delayed neutron fraction, prompt neutron decay constant, fission density and neutron importance. These measurements have been evaluated and found to be acceptable experiments and are discussed in full detail in the International Handbook of Evaluated Reactor Physics Benchmark Experiments. The purpose of this paper is summary summarize all the critical and reactor physics measurements evaluations and, when possible, to compare them to GODIVA experiment results.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Capillary-driven Condensation for Heat Transfer Enhancement in Steam Power Plants

A novel condensation method was developed to enhance the efficiency of steam power plants. The method consists of a hierarchical structure on the surface of condenser tubes consisting of a wicking structure overlaid with a porous hydrophobic membrane. The project is divided into two main efforts. First, a structure with highly defined geometry was made utilizing microfabrication on silicon. This structure helped us elucidate the physics of steam condensation at the surface, more easily model the heat transfer coefficient, and demonstrate the first proof-of-concept for our proposed condensation approach. The structures on silicon achieved a heat transfer coefficient ~ 240% higher than the theoretical filmwise value at the same operating condition. Second, the method is explored for scalability by fabricating surfaces with industrial class materials followed by heat transfer measurements on flat surfaces. An HTC enhancement of 50% over the experimental filmwise value was achieved on hierarchical copper surfaces made of commercially available copper foams and meshes, showing the potential of achieving heat transfer enhancement using low cost and scalable materials. Scalable fabrication of the hydrophobic membrane and the porous copper wick were also investigated. Our heat and mass transfer model predicts a > 5x heat transfer enhancement on a scalable version of capillary driven condenser made of membrane covered porous copper. The results demonstrate the promise of capillary-driven condensation surfaces for heat transfer applications.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2024

A Phenomenological Thermal Spray Wall Interaction Modeling Framework Applied to a High Temperature Ignition Assistant Device

Airborne compression ignition engines must operate with reliable ignition systems to achieve proper ignition at every cycle, particularly at high altitudes. Glow-plug-based ignition-assistant (IA) devices can provide the necessary energy to preheat the fuel and ensure ignitability of the fuel-air mixture. Ignitability of liquid sprays can be facilitated via direct impingement onto the hot IA surface, however this comes with adverse effects on the IA durability. Therefore, optimizing an IA’s design requires detailed understanding of the physics of fuel spray impingement of superheated surfaces. While spray impingement on relatively low wall temperatures has been extensively studied and appropriate numerical models have been proposed through the years, fundamental understanding of high-speed liquid spray impingement on superheated walls is still elusive. This work aims to formulate a phenomenological thermal spray-wall interaction framework for modeling the film-boiling-induced heat transfer, atomization, and dispersion of fuel spray droplets impinging onto a superheated IA device. A qualitative comparison of the new phenomenological model is performed against optical experiments from the literature of an F-24 fuel spray injected onto an IA device located 12 mm away from the injector tip. The temperature of the IA was set at 1400 K. The fuel injection pressure was 400 bar, while the ambient gas pressure and temperature were 30 bar and 800 K, respectively. The performance of the phenomenological model is evaluated in comparison with two other state-of-art models from the literature. A qualitative analysis of the different spray and fuel-air mixture characteristics is performed to outline the differences in the predictions offered by the new phenomenological model and the two state-of-art spray-wall interaction models.

droplet dispersion↗
DOE OSTI2014

Properties of water surface discharge at different pulse repetition rates

The properties of water surface discharge plasma for variety of pulse repetition rates are investigated. A magnetic pulse compression (MPC) pulsed power modulator able to deliver pulse repetition rates up to 1000 Hz, with 0.5 J per pulse energy output at 25 kV, was used as the pulsed power source. Positive pulse with a point-to-plane electrode configuration was used for the experiments. The concentration and production yield of hydrogen peroxide (H₂O₂) were quantitatively measured and orange II organic dye was treated, to evaluate the chemical properties of the discharge reactor. Experimental results show that the physical and chemical properties of water surface discharge are not influenced by pulse repetition rate, very different from those observed for under water discharge. The production yield of H₂O₂ and degradation rate per pulse of the dye did not significantly vary at different pulse repetition rates under a constant discharge mode on water surface. In addition, the solution temperature, pH, and conductivity for both water surface and underwater discharge reactors were measured to compare their plasma properties for different pulse repetition rates. The results confirm that surface discharge can be employed at high pulse repetition rates as a reliable and advantageous method for industrial and environmental decontamination applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Surface-mediated spontaneous emulsification of the acylated peptide, semaglutide

Acylated peptides composed of glucagon-like peptide-1 receptor agonists modified with a fatty acid side chain are an important class of therapeutics for type 2 diabetes and obesity but are susceptible to an unusual physical instability in the presence of hydrophobic surfaces, i.e., spontaneous emulsification, also known as ouzo formation in practice. In this work, light scattering, small-angle X-ray scattering, and circular dichroism measurements are used to characterize the physical properties of the semaglutide colloidal phase, including size distribution, shape, secondary structure, internal structure, and internal composition, as a function of solution physico-chemical conditions. The existence and size of the colloids formed are successfully predicted by a classical Rayleigh model, which identifies the parameters controlling their size and formation. Colloid formation is found to be catalyzed by hydrophobic surfaces, and formation rates are modeled as an autocatalytic reaction, enabling the formation of a master curve for various surfaces that elucidates the mechanism. Surfaces differ due to differences in surface wettability, which can be correlated with Hansen solubility parameters. This work provides insights into this unusual colloidal phenomenon and guides the peptide synthesis process and drug product formulation in the pharmaceutical industry.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

Chemistry-turbulence interactions and mesoscale variability influence the cleansing efficiency of the atmosphere

The hydroxyl radical (OH) is the most important oxidant in the atmosphere and the primary sink for isoprene, the dominant volatile organic compound emitted by vegetation. Recent research on the atmospheric oxidation capacity in isoprene-dominated environments has suggested missing radical sources leading to signi?cant overestimation of the lifetime of isoprene. Here we report, for the ?rst time, a comprehensive experimental budget of isoprene in the planetary boundary layer based on airborne ?ux measurements along with in situ OH observations in the Southeast and Central U.S. Our ?ndings show that surface heterogeneity of isoprene emissions lead to a physical separation of isoprene and OH resulting in an effective slowdown in the chemistry. Depending on surface heterogeneity, the intensity of segregation (Is) could locally slow down isoprene chemistry up to 30%. The effect of segregated reactants in the planetary boundary layer on average has an in?uence on modeled OH radicals that is comparable to that of recently proposed radical recycling mechanisms.

Kaser, L.↗
DOE OSTI2014

Tip-induced deformation of a phospholipid bilayer: Theoretical perspective of sum frequency generation imaging

The paper addresses theory of Sum Frequency Generation imaging of an atomic force microscopy tip-induced deformation of a bilayer phospholipid membrane deposited over a pore: known as a nano-drum system. Image modeling employed nonlinearities of the normal modes specific to hydrocarbon terminal methyls, which are distributed about the deformed surfaces of inner and outer leaflets. The deformed profiles are according to the solutions of shape equation for Canham-Helfrich Hamiltonian accounting properties of four membranes, which differ in elasticity and adhesion. The results indicate that in continuous deformed surfaces, the difference in the curvature of the outer and inner leaflets dominates in the imaged nonlinearity. This is different comparing to the results for a perfect bilayer spherical cap system (the subject of previous study), where nonlinear image response is dominated by the mismatch of the inner and outer leaflets’ surface areas (as projected to the image plane) at the edge of perfectly spherical structure. The results of theoretical studies, here, demonstrate that Sum Frequency Generation imaging in continuous and deformed bilayer surfaces are helpful to address curvature locally and anticipate mechanical properties of membrane. The articles discuss applicability and practical limitations of the approach. Combination of Atomic Force Microscopy and Sum Frequency Generation imaging under controlled tip-induced deformation provides a good opportunity to probe and test membranes physical properties with rigor of adopted theory.

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

Hydration Mechanisms in Nanoparticle Interaction and Surface Energetics

Work on the project advanced molecular level understanding, prediction and control of nanoscale hydration in salt solutions under electric stimuli or ionic patterning. Permeation of nanoporous electrodes at preset voltage underlies the function of ultracapacitors. Transitory regulation of wetting in nanoporous media by electric field spans an array of applications in materials, energy storage, and separation sciences. The physically related modulation of nanoparticle solubility by surface charges can significantly extend the range of the nanomaterial applications, improve processing techniques, and potentially alleviate environmental concerns. Pore/solution equilibria, and activated kinetics of liquid gating by nanoconfined electrolytes are challenging problems at the forefront of experimental and theoretical research. Addressing these problems from a molecular perspective required the development of state-of-the-art simulation algorithms in statistical mechanics to capture complex processes in open systems under electric control. Parallel studies of wetting and dispersibility of polar and ionizing particles aim to uncover predictive relations between electrowetting, chemical functionalization, and geometry of nanomaterial particles. By nonequilibrium dynamic modeling, we elucidated electrolyte flow in nanochanels and associated electrokinetic energy conversion. Research on the program provided training opportunities for the next generation of scientists in computational chemistry. Insights, and methods from the project implicate broad segment of researchers in energy and nanosciences, materials and surface chemistry.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2013

PERIODIC VARIATIONS IN THE O - C DIAGRAMS OF FIVE PULSATION FREQUENCIES OF THE DB WHITE DWARF EC 20058-5234

Variations in the pulsation arrival time of five independent pulsation frequencies of the DB white dwarf EC 20058-5234 individually imitate the effects of reflex motion induced by a planet or companion but are inconsistent when considered in unison. The pulsation frequencies vary periodically in a 12.9 year cycle and undergo secular changes that are inconsistent with simple neutrino plus photon-cooling models. The magnitude of the periodic and secular variations increases with the period of the pulsations, possibly hinting that the corresponding physical mechanism is located near the surface of the star. The phase of the periodic variations appears coupled to the sign of the secular variations. The standards for pulsation-timing-based detection of planetary companions around pulsating white dwarfs, and possibly other variables such as subdwarf B stars, should be re-evaluated. The physical mechanism responsible for this surprising result may involve a redistribution of angular momentum or a magnetic cycle. Additionally, variations in a supposed combination frequency are shown to match the sum of the variations of the parent frequencies to remarkable precision, an expected but unprecedented confirmation of theoretical predictions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Oxygen Evolution on Mechanically Strained TiO2/NiTi: Implications of Compositional Heterogeneity at (Photo)Electrocatalytic Interfaces

The adsorption and activation energetics underpinning small molecule conversion on heterogeneous (photo)electrocatalysts are intrinsically tied to catalyst surface properties. Absent compositional characterization techniques with sufficient interface sensitivity, however, (photo)electrochemical performance can be misinterpreted in the context of bulk or near-surface material properties. Here we provide a fundamental investigation of the convoluting role of near-surface compositional heterogeneity in the interpretation of (photo)electrochemical alkaline oxygen evolution reaction (OER) activity, highlighting challenges in correlating composition measured by surface- and near-surface-sensitive probes. TiO2 thin films grown by air-annealing the superelastic alloy Nitinol (TiO2/NiTi) crack under tensile mechanical strain, increasing the number of electrochemically active Ni sites (Ni site density) that are probed via voltammetric features corresponding to Ni3+/Ni2+ redox events. (Photo)electrochemical OER kinetics trend with Ni site density, with overpotentials and Tafel slopes decreasing for Ni site densities < 1013 Ni/cm2geo and asymptotically approaching the performance of the base NiTi substrate for Ni site densities > 1013 Ni/cm2geo. Photoelectrochemical fill factors follow similar Ni site density dependent trends. When probing unstrained TiO2/NiTi, Ni site densities are two orders of magnitude higher when comparing near-surface-sensitive techniques (e.g., X-ray photoelectron spectroscopy (XPS), time of flight secondary ion mass spectrometry (TOF-SIMS), and scanning transmission electron microscopy-energy dispersive X-ray spectroscopy (STEM-EDS)) to surface-sensitive electrochemical measurements. This result highlights the challenge of correlating kinetic performance with intrinsic surface properties of electrochemical interfaces in the presence of near-surface compositional heterogeneity. Further, it reinforces the importance of fundamental investigations of surfaces with well-controlled composition and structure and the need for physically grounded and self-consistent interpretation of multiple near-surface characterization techniques.

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

LLNL Final Design for PDV Measurements of Godiva for Validation of Multi-Physics Simulation

This document is a Final Design (CED-2) Report for IER-268, “PDV Measurements of Godiva for Validation of Multi-Physics Simulation”. These measurements will measure surface velocities in several locations, the initial α and α-t curve as a function of fission yield using existing LLNL assets including: The portable Photonic Doppler Velocimeter (PDV) detector; The “alpha box”, and; Aluminum-encapsulated 235 U fission foils. These experiments will be simulated using multi-physics methods funded separately under LLNL-AM2. A supercritical benchmark specification will be developed; and, if funding permits, an ICSBEP (or classified equivalent) evaluation will be published.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗