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At least 415 records · Page 23

The effect of convection upon charged particle transport in random magnetic fields

In a coordinate system moving with the plasma and random magnetic fields of a wind that blows with constant velocity in the direction of the guiding field, transport of energetic particles is described by a Boltzmann equation which is similar to the one that describes unconvected transport. Although this formulation is mathematically identical to that developed by Luhmann, which refers to the system where the guiding field is static, there are both practical and fundamental reasons to adopt the new approach. It leads to first-order approximate transport equations which are similar to those that apply in the absence of convection. However, these equations are more general than Parker's description of diffusion and convection, for they describe the coherent modes of transport that appear when the mean free path is large compared to the scale length for spatial variations of the guiding field, and they are valid for arbitrary wind velocity. The latter characteristic opens up new possibilities for analyzing particle transport in relativistic flows seen in some astronomical objects.

Earl, J. A.↗

Characterization of silicon-carbon clusters by infrared laser spectroscopy: the nu 3(sigma u) band of linear Si2C3

The nu 3(sigma u) fundamental vibration of 1 sigma g+ Si2C3 has been observed using a laser vaporization-supersonic cluster beam-diode laser spectrometer. Forty rovibrational transitions were measured in the range of 1965.8 to 1970.9 cm-1 with a rotational temperature of 10-15 K. A least-squares fit of these transitions yielded the following molecular constants: nu 3(sigma u)=1968.188 31(18) cm-1, B"=0.031 575 1(60) cm-1, and B'=0.031 437 4(57) cm-1. These results are in excellent agreement with recent Fourier transform infrared (FTIR) measurements of Si2C3 trapped in a solid Ar matrix [J. Chem. Phys. 100, 181(1994)] and with ab initio calculations [J. Chem. Phys. 100, 175 (1994)] which suggest cumulenic-like bonding for Si2C3, analogous to the isovalent C5 carbon cluster.

Non-NASA Center↗

Development of an Extremely Durable Concrete (EDC) - A Novel approach coupling Chemistry and Autogenous Crack Width Control (Final Report)

Concrete cracking is a challenging issue and a constant threat to the durability of modern physical infrastructure. It is most commonly produced by mechanical loading and environmental deformations endured under field conditions, and structural deterioration accelerates at large crack widths. There is an urgent need for dramatic reductions in O&M cost, energy use, and emissions for infrastructure. The goal of this project is to fundamentally design an Extremely Durable Concrete (EDC) with a life expectancy at least five times that of current concrete by deploying a coupled micromechanical and chemical approach in material design. EDC is expected to embody an autogenously tight crack width (<50μm), high ductility (>3%), and stable chemistry using a green binder based on Limestone Calcined Clay Cement (LC3), which together will produce a resilient formulation with self-healing capability.

36 MATERIALS SCIENCE↗

Absorption spectrum of the laser-populated 3D metastable levels in barium

This paper deals with the details of the absorption spectrum of the 3D metastable term in barium. The 3D term was selectively populated with a tuneable dye laser. The fundamental triplet series (6s5d 3D-6snf 3F) is identified and extended out to n = 32. In addition, the absolute photoionization cross section was measured at 303 nm. The relative cross section from 303 to 250 nm was also measured with the absolute scale set by the measurement at 303 nm and was found to be nearly constant in the wavelength region measured.

Carlsten, J. L.↗

Plasma-Assisted Pre-Chamber Ignition System for Highly Dilute Stoichiometric Heavy-Duty Natural Gas Engines (Final Technical Report)

This project explored advanced ignition technologies to significantly enhance efficiency and reduce operating costs for heavy-duty natural gas engines operating at stoichiometric conditions, while meeting ultra-low NOx emission standards. The main goal was to develop and validate a plasma-assisted pre-chamber ignition system that could deliver at least a 2% increase in brake thermal efficiency (BTE) and a 4% decrease in total cost of ownership (TCO) compared to a typical multi-cylinder engine with three-way catalyst aftertreatment, ensuring compatibility with the expected 2027 EPA/CARB regulations. In the first half of the project, the research team concentrated on developing and testing plasma-assisted pre-chamber ignition using nanosecond pulsed discharges. Extensive experiments were conducted in an optically accessible rapid-compression and expansion machine, a constant-volume chamber, and an optical single-cylinder engine. Experiments were coupled with CFD simulations. The work produced unique insights into pre-chamber flame formation, jet ignition, dilution effects, and flame quenching at pressures, temperatures, and dilution levels relevant to engines. Although plasma-assisted ignition showed promise in controlled lab settings, the research also identified fundamental and practical challenges when applying this technology to real engine conditions. Midway through the project, a crucial pivot was made, guided by three key findings. First, the power electronics required for nanosecond plasma discharges were found to be too costly for commercial use, undermining the project’s cost-of-ownership goals. Second, nanosecond plasma ignition was highly sensitive to turbulent flow in the pre-chamber, resulting in lower ignition reliability than traditional spark under engine-like conditions. Third, achieving a truly diffuse low-temperature plasma at high pressures near top dead center was not possible, reducing the anticipated chemical enhancement benefits. These results collectively suggested that continuing with plasma-assisted ignition was unlikely to meet both efficiency and cost objectives. In response, the project shifted focus to a more realistic approach: enhancing traditional spark-based pre-chamber ignition with significantly less spark energy. Using insights gained earlier in the project, the team redesigned the pre-chamber to maintain high dilution tolerance and quick combustion, even with lower ignition energy. Testing confirmed that with optimized pre-chamber design and combustion timing, a lower-energy spark could reliably ignite highly diluted stoichiometric mixtures, reduce burn time, and boost thermal efficiency. Final engine testing and techno-economic analysis verified that this revised approach successfully achieved the project goals. The optimized pre-chamber ignition system provided over a 2% increase in calculated brake thermal efficiency compared to the baseline engine. Notably, the lower ignition energy and simplified hardware reduced component stress, extended maintenance intervals, and lowered the total cost of ownership. When used with stoichiometric operation and traditional three-way aftertreatment, the system remained compatible with near-zero NOx emissions targets without increasing cost or complexity in the emissions control system. In summary, although the project deviated from its initial plasma-assisted ignition idea, the work produced a more practical and commercially viable solution. The results show that precisely optimized, low-energy pre-chamber spark ignition can significantly improve efficiency and reduce overall ownership costs for heavy-duty natural gas engines. This directly aligns with DOE goals for cleaner, more efficient, and cost-effective transportation technologies.

03 NATURAL GAS↗

Preliminary Tests in the NACA Tank to Investigate the Fundamental Characteristics of Hydrofoils

This preliminary investigation was made to study the hydrodynamic properties and general behavior of simple hydrofoils. Six 5- by 30-inch plain, rectangular hydrofoils were tested in the NACA tank at various speeds, angles of attack and depths below the water surface. Two of the hydrofoils had sections representing the sections of commonly used airfoils, one had a section similar to one developed Guidoni for use with hydrofoil-equipped seaplane floats, and three had sections designed to have constant chordwise pressure distributions at given values of the lift coefficient for the purpose of delaying the speed at which cavitation begins. The experimental results are presented as curves of the lift and drag coefficients plotted against speed for the various angles of attack and depths for which the hydrofoils were tested. A number of derived curves are included for the purpose of better comparing the characteristics of the hydrofoils and to show the effects of depth. Several representative photographs show the development of cavitation on the the upper surface of the hydrofoils. The results indicate that properly designed hydrofoil sections will have excellent characteristics and that the speed at which cavitation occurs may be delayed to an appreciable extent by the use of suitable sections.

Ward, Kenneth E.↗

Theoretical studies of chemical reactions related to the formation and growth of polycyclic aromatic hydrocarbons (PAH) and molecular properties of their key intermediates (Final Progress Report)

The formation mechanisms of polycyclic aromatic hydrocarbons, (PAHs) – organic molecules carrying fused benzene rings – are of great interest to scientists and engineers due to their importance in combustion chemistry and astrochemistry. On Earth, PAHs are largely produced in incomplete combustion of fossil fuel and are considered as critical precursors to unwanted soot particles leading to combustion inefficiency and causing air pollution along with detrimental health effects. Simple PAH molecules initially formed in the gas phase, are further involved in a build-up process in combustion flames leading to larger PAH, bowl-shaped nanostructures, fullerenes, and solid-phase species including carbonaceous dust, graphene particles, and soot. In deep space, PAH and their derivatives are potential key intermediates and nucleation sites leading eventually to carbonaceous nanoparticles (“interstellar grains”). Therefore, the understanding of the key processes in the synthesis of PAHs along with their precursors and their degradation mechanisms in combustion systems and in interstellar, circumstellar, and planetary atmospheric environments will provide critical insights into how complex aromatic structures, carbonaceous nanoparticles, and fullerenes are formed and destroyed. Achieving this understanding is an important step in the development of the efficient combustion processes and of the ecofriendly devices with reduced environmental pollution as well as technological strategies for the production of hydrogen and solid carbon through thermal or plasma-assisted pyrolysis of natural gas and biomass. Also, the understanding of the key processes of PAH and soot growth will help in our comprehension of chemical evolution in the universe. Detailed information on the mechanisms and reliable rate constants of the key elementary chemical reactions involved in PAH formation and destruction processes and in inception of soot particles is often missing, with the main deficiencies being the absence of temperature- and pressure-dependent rate constants for the broad range of conditions occurring in various terrestrial and interstellar processes and the lack of data on the reaction products and their branching ratios. Complementary to experimental studies, these gaps in knowledge can be filled by using quantum chemical calculations of reaction potential energy surfaces providing us with accurate energies of reaction products, intermediates, and transition states, revealing the reaction mechanism, and giving the molecular properties required to compute rate constants for relevant reaction steps and product branching ratios using the RRKM-Master Equation (ME) method. Molecular dynamics (MD) simulations can be used in cases when a reaction rate cannot be properly described by statistical theories. During the terminal renewal project period we employed these ab initio/RRKM-ME and MD approaches to complete our studies on several key reactions relevant to the formation/growth of PAH and inception of soot particles including (1) the reaction mechanism and kinetics of the resonance stabilized fulvenallenyl radical with propargyl and C 3 H 4 isomers; (2) the reaction mechanism and kinetics for the C + indene and C 2 + styrene reactions producing naphthyl or azulenyl radicals in low-temperature environments; (3) the MD study of non-equilibrium dimerization of acepyrene and coronene and its radical. The information derived from our theoretical calculations contributed to a better fundamental understanding of the reaction mechanisms and provide missing critical kinetic data to improve combustion models of hydrocarbon fuels and astrochemical models of the growth of carbonaceous molecules and particles in cold molecular clouds, circumstellar envelopes, and planetary atmospheres.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Enhancing Biopreparedness through a Model System to Understand the Molecular Mechanisms that Lead to Pathogenesis and Disease Transmission: NW-BRaVE

The science of biopreparedness to counter biological threats hinges on understanding the fundamental principles and molecular mechanisms that lead to pathogenesis and disease transmission. Our vision to address this challenge is to create a powerful and user-friendly platform to elucidate the fundamental principles of how molecular interactions drive pathogen-host relationships and host shifts. We will enable groundbreaking discoveries by integrating a wide range of structural, genomics, proteomics, and other advanced omics measurements, along with evolutionary and artificial intelligence predictions. To make sure the system is applicable to real-world problems, we will develop it in the context of a tractable model system, the small, abundant, and accessible photosynthetic cyanobacteria and their constantly co-adapting viral pathogens, cyanophages. This model will maintain the system’s applicability to real-world problems and techniques, but the overall focus will be on elucidating general principles of detecting, assessing, and surveilling molecular interaction, adaptation, and coevolution that are system agnostic and therefore extensible to other viral-host interactions. Our overall objectives are to (1) identify the molecular complexes that comprise the cyanobacteria redox macromolecular subsystem and how they dynamically change with bacteriophage infection in situ, using cryo-electron tomography; (2) profile regulatory changes during infection using proteomics, multiomics, and experimental validation, and integrate the data with in situ structures; (3) use genomics and metagenomics to determine environmental and population factors across time scales that impact the interactions between marine cyanobacteria and their cyanophage parasites, predicting the evolutionary origins of in situ structural and functional interactions, convergence and coevolution; and (4) develop a data integration and transformation platform that facilitates the integration of in situ, proteomic, and evolutionary measurements of molecular interactions to surveil diverse hosts and parasites in various environmental contexts. These objectives address Focus Area 2 Reveal Molecular Interactions Across Biological Scales for Design of Targeted Interventions. Our powerful and user-friendly platform will enhance connections between the often-siloed fields of structure, molecular phenotype, and evolutionary genomics that are key to biopreparedness, but in need of integration (Figure 1). We will build an integrated navigation tool to facilitate the effective use of globally distributed experimental data for integrated analysis and predictive modeling. The project will develop, implement, and test a platform to assess host-pathogen molecular interactions, adaptation to hosts and host shifts, and coevolution between hosts and pathogens, successfully impacting the research community by revolutionizing abilities to study any host-pathogen interaction, encourage diverse community contributions, and gain fundamental insights into how proteins adapt to new contexts. This ability will be critical for designing early interventions to address future threats. We will build surveillance training capability, aiming for a fair and equitable response to future pandemics and biothreats.

59 BASIC BIOLOGICAL SCIENCES↗

Mesoscale Modeling of Hydrogels Under Frictional Shear Stress

Hydrogels are three-dimensional networks of hydrophilic polymers often used as a simplified model of hydrated biological materials, from cartilaginous joints to the ocular tear film. However, the lubrication mechanisms of hydrogels remain poorly understood, partly due to their complex polymeric structure, which creates blurred interfaces during sliding that are challenging to study experimentally. In this study, we employ dissipative particle dynamics (DPD) to investigate the frictional behavior of a polymeric hydrogel network sliding against a solid wall in an explicit viscous solvent. This computational approach enables us to model hydrodynamic interactions and mesoscale polymer dynamics, capturing key aspects of hydrogel friction. Our simulations reveal that hydrogel friction is governed by the interplay between polymer relaxation and viscous shear, characterized by the Weissenberg number (Wi). At low Wi, friction coefficient remain nearly constant, dominated by polymer relaxation. However, at higher Wi, friction is dominated by viscous drag within a near-wall solvent layer, leading to a linear increase in friction coefficient with Wi. Furthermore, our results demonstrate an inverse relationship between the friction coefficient and the applied normal load, consistent with experimental observations. This work provides new insights into the fundamental tribological properties of hydrogels, shedding light on the micromechanics of hydrogel friction. Improving our understanding of hydrogel structure and dynamics under friction advances our knowledge of the mechanisms regulating biological lubrication in health and disease.

36 MATERIALS SCIENCE↗

Thermal expansion of plasma-exposed tungsten

We report results from a systematic analysis of thermal expansion of plasma-exposed tungsten based on molecular-dynamics simulations using models of tungsten with distributions of helium (He) bubbles in the tungsten matrix. We distinguish between two approaches of filling the bubbles with He, where the amount of He in the bubble can or cannot vary with temperature. In the former case, the thermal expansion coefficient decreases monotonically with the porosity and He content of the tungsten matrix, while in the latter case, the thermal expansivity increases monotonically with increasing porosity and He content. The latter condition, where the He content in the bubble is determined at the implantation temperature and remains constant with varying temperature in the tungsten matrix, is consistent with He species transport in tungsten used as a plasma-facing component (PFC) in nuclear fusion reactors and implies the development of biaxial compressive thermal strains in the PFC material that contribute to accelerating the growth of a nanostructure on PFC tungsten surfaces. Furthermore our analysis advances the fundamental understanding of thermal expansion in PFC tungsten and contributes to the development of a thermophysical property database for properly incorporating effects of realistic heat loads into modeling the dynamical response of PFC tungsten under fusion reactor operating conditions.

36 MATERIALS SCIENCE↗

Viscous induced drag

A fundamentally new approach to the aircraft minimum induced drag problem is presented. The method, a 'viscous lifting line', is based on the minimum entropy production principle and does not require the planar wake assumption. An approximate, closed form solution is obtained and compared with several classical results. In addition, the problem of optimizing in-plane wing sweep with constant wing root bending moment is considered. Like the classical lifting line theory, this theory predicts that induced drag is proportional to the square of the lift coefficient and inversely proportional to the wing aspect ratio. Unlike the classical theory, it predicts that in-plane wing sweep may significantly reduce induced drag, that induced drag is Reynolds number dependent, and that the optimum spanwise circulation distribution is non-elliptic.

Greene, George C.↗

Exotic Molecules in Space: A Coordinated Astronomical Laboratory and Theoretical Study

The past three years have been a period of great progress in our laboratory investigation of molecules of astrophysical interest-the most productive by far in the 20-year history of a research program which has led to the discovery of over 20% of the 123 known interstellar and circumstellar molecules. Most of the discoveries made during this period have been the result of the construction in late 1995 and early 1996 of a Fourier transform microwave spectrometer working in the centimeter-wave band. The sensitivity of this instrument from the moment that it was turned on has exceeded our expectations by an order of magnitude. The Table below shows the 46 new molecules which have been discovered. Most are carbon chains, the dominant type of molecule which has been found in space. Several comments with respect to these molecules should be made: 1. There are probably no mistakes in any of the identifications, since these have been confirmed by the standard, powerful assays and tests used to check spectroscopic identifications: isotopic substitution, quantum calculations of the expected molecular structures, detection of hyperfine structure, Zeeman effect, etc. 2. The radio laboratory astrophysics of the entire set is complete for the time being, in the sense that essentially all the astronomically interesting radio transitions (including hfs when present) are either directly measured or can now be calculated from the derived spectroscopic constants to better than 1 part per million (or 0.3 km s-1 in radial velocity, and often much better than that). 3. Six of the forty six new molecules have already been identified in space, in every case but one on the basis of our laboratory measurements. 4. Sensitive as they are, our laboratory techniques are far from fundamental limits on sensitivity, and 5. One of the principal motivations of our research is to close the fairly small mass and size gap, now only a factor of a few, between the smallest postulated interstellar grains and the largest identified interstellar molecules.

Thaddeus, Patrick↗

Characterization of silicon-carbon clusters by infrared laser spectroscopy. The nu 1 band of SiC4

The nu 1 fundamental vibration of linear SiC4 has been observed by infrared diode laser spectroscopy of a supersonic cluster beam. Twenty-four rovibrational transitions were measured in the spectral region of 2094.6 to 2097.1 cm-1, the rotational temperature was 10 K. A combined least-squares fit of these transitions with previously reported microwave data yielded the following molecular constants: nu 1 = 2095.45806(37) cm-1, B" = 0.051161131(52) cm-1, and B' = 0.0509157(96) cm-1. These results are compared to vibrational spectroscopy measurements of SiC4 trapped in a solid Ar matrix and to ab initio calculations.

NASA Discipline Exobiology↗

Estimation of Dynamical Parameters in Atmospheric Data Sets

In this study a new technique is used to derive dynamical parameters out of atmospheric data sets. This technique, called the structure tensor technique, can be used to estimate dynamical parameters such as motion, source strengths, diffusion constants or exponential decay rates. A general mathematical framework was developed for the direct estimation of the physical parameters that govern the underlying processes from image sequences. This estimation technique can be adapted to the specific physical problem under investigation, so it can be used in a variety of applications in trace gas, aerosol, and cloud remote sensing. The fundamental algorithm will be extended to the analysis of multi- channel (e.g. multi trace gas) image sequences and to provide solutions to the extended aperture problem. In this study sensitivity studies have been performed to determine the usability of this technique for data sets with different resolution in time and space and different dimensions.

Wenig, Mark O.↗

Deconstruction of the Anisotropic Magnetic Interactions from Spin‐Entangled Optical Excitations in van der Waals Antiferromagnets

Magneto-optical excitations in antiferromagnetic d systems can originate from a multiplicity of light-spin and spin-spin interactions, as the light and spin degrees of freedom can be entangled. This is exemplified in van der Waals systems with attendant strong anisotropy between in-plane and out-of-plane directions, such as MnPS 3 and NiPS 3 films studied here. The rich interplay between the magnetic ordering and sub-bandgap optical transitions poses a challenge to resolve the mechanisms driving spin-entangled optical transitions, as well as the single-particle bandgap itself. Here, a high-fidelity ab initio theory is applied to find a realistic estimation of the bandgap by elucidating the atom- and orbital-resolved contributions to the fundamental sub-bands. It is further demonstrated that the spin-entangled excitations, observable as photoluminescence and absorption resonances, originate from an on-site spin-flip transition confined to a magnetic atom (Mn or Ni). The evolution of the spin-flip transition in a magnetic field is used to deduce the effective exchange coupling and anisotropy constants.

2D materials↗

Concept of circular-linear energy recovery accelerator to probe the energy frontier

Energy-frontier accelerators provide powerful tools performing high precision measurements confirming the fundamentals of the physics and broadening new research horizons. Such machines are either driven by circular or linear accelerators. The circular machines, having the centre-of-mass (CM) energy values reaching 200 GeV (for leptons) and above, experience beam energy loss and quality dilution, for example, due to synchrotron radiation, limiting the overall CM energy achievable and requiring a constant energy top-up to compensate the loss and the beam quality dilution. Linear colliders overcome these limitations, while the finite capabilities of generating high average current beams limits the luminosity. This is partially compensated by the quality of the colliding beams. In this work, we suggest a novel design of circular-linear accelerator based on the merging of the “non-emitting”, low-energy storage rings and energy recovery linear accelerators. We suggest using the recently considered dual-axis asymmetric cavities to enable the operation of such a system, and in particular the energy recovery from spent, high-intensity beams. The machine considered, under the scope of the SNOWMASS-2021 initiative, can be potentially used to reach ultimate energy frontiers in high-energy physics as well as to drive next generation light sources. The merging of circular and linear systems, and applications of dual axes cavities, should allow the maintaining of high beam quality, high luminosity, and high energy efficiency, while offering a flexible energy management and opening clear opportunity for reducing the running cost. We note that the numbers shown in the paper are for illustration purpose and can be improved further.

43 PARTICLE ACCELERATORS↗

An Investigation of the Elements which Contribute to Statical and Dynamical Stability, and of the Effects of Variation in Those Elements

Part 1 gives details of models tested and methods of testing of the Eiffel 36 wing alone and the JN2 aircraft. Characteristics and performance curves for standard JN are included. Part 2 presents a statistical analysis of the following: lift and drag contributed by body and chassis tested without wings; lift and drag contributed by tail, tested without wings; the effect on lift and drift of interference between the wings of a biplane combination; lift and drag contributed by the addition of body, chassis, and tail to a biplane combination; total parasite resistance; effect of varying size of tail, keeping angle of setting constant; effect of varying length of body and size of tail at the same time, keeping constant moment of tail surface about the center of gravity; forces on the tail and the effects of downwash; effect of size and setting of tail on statical longitudinal stability effects of length of body on stability; the effects of the various elements of an airplane on longitudinal stability and the placing of the force vectors. Part 3 presents the fundamental principals of dynamical stability; computations of resistance derivatives; solution of the stability equation; dynamical stability of the Curtiss JN2; tabulation of resistance derivatives; discussion of the resistance derivatives; formation and solution of stability equations; physical conceptions of the resistance derivatives; elements contributing to damping and an investigation of low speed conditions. Part 4 includes a summary of the results of the statistical investigation and a summary of the results for dynamic stability.

Klemin, Alexander↗

Measuring Thermodynamic Properties of Metals and Alloys With Knudsen Effusion Mass Spectrometry

This report reviews Knudsen effusion mass spectrometry (KEMS) as it relates to thermodynamic measurements of metals and alloys. First, general aspects are reviewed, with emphasis on the Knudsen-cell vapor source and molecular beam formation, and mass spectrometry issues germane to this type of instrument are discussed briefly. The relationship between the vapor pressure inside the effusion cell and the measured ion intensity is the key to KEMS and is derived in detail. Then common methods used to determine thermodynamic quantities with KEMS are discussed. Enthalpies of vaporization, the fundamental measurement, are determined from the variation of relative partial pressure with temperature using the second-law method or by calculating a free energy of formation and subtracting the entropy contribution using the third-law method. For single-cell KEMS instruments, measurements can be used to determine the partial Gibbs free energy if the sensitivity factor remains constant over multiple experiments. The ion-current ratio method and dimer-monomer method are also viable in some systems. For a multiple-cell KEMS instrument, activities are obtained by direct comparison with a suitable component reference state or a secondary standard. Internal checks for correct instrument operation and general procedural guidelines also are discussed. Finally, general comments are made about future directions in measuring alloy thermodynamics with KEMS.

Copland, Evan H.↗