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At least 883 records · Page 49

Measurement of Energy Reduction of Inertial Alfvén Waves Propagating through Parallel Gradients in the Alfvén Speed

We have studied the propagation of inertial Alfvén waves through parallel gradients in the Alfvén speed using the Large Plasma Device at the University of California, Los Angeles. The reflection and transmission of Alfvén waves through inhomogeneities in the background plasma are important for understanding wave propagation, turbulence, and heating in space, laboratory, and astrophysical plasmas. Here we present inertial Alfvén waves under conditions relevant to solar flares and the solar corona. We find that the transmission of the inertial Alfvén waves is reduced as the sharpness of the gradient is increased. Any reflected waves were below the detection limit of our experiment, and reflection cannot account for all of the energy not transmitted through the gradient. Our findings indicate that, for both kinetic and inertial Alfvén waves, the controlling parameter for the transmission of the waves through an Alfvén speed gradient is the ratio of the Alfvén wavelength along the gradient divided by the scale length of the gradient. Furthermore, our results suggest that an as-yet-unidentified damping process occurs in the gradient.

79 ASTRONOMY AND ASTROPHYSICS↗

Effect of reactive intermediates on the propagation of turbulent premixed flames

The most simple version of the Bray and Libby model of turbulent flame propagation has been extended to include a two-step reaction mechanism in which reactants decompose into reactive intermediates which then form products. A transport equation for the joint pdf of intermediate and product concentrations was derived, the pdf parameterized, and transport equations for the parameters obtained. The one-dimensional concentration equations were then solved for the parameters of the pdf and the turbulent kinetic energy. Flame speed and angle are recovered as eigenvalues of the problem. The results show the essential features observed in experiments. The product pdf is composed of peaks at zero and unity product concentration, with a continuous structure representing partially reacted gas. The intermediates pdf has a peak at zero concentration and a broad bell-shaped distribution at nonzero concentration, representing partially reacted gas. The results also show the effect of partitioning of energy release on the flame thickness and speed.

Azzazy, M.↗

A novel implementation of method of optimality criterion in synthesizing spacecraft structures with natural frequency constraints

In the design of spacecraft structures, fine tuning the structure to achieve minimum weight with natural frequency constraints is a time consuming process. Here, a novel implementation of the method of optimality criterion (OC) is developed. In this new implementation of OC, the free vibration analysis results are used to compute the eigenvalue sensitivity data required for the formulation. Specifically, the modal elemental strain and kinetic energies are used. Additionally, normalized design parameters are introduced as a second level linking that allows design variables of different values to be linked together. With the use of this novel formulation, synthesis of structures with natural frequency constraint can be carried out manually using modal analysis results. Design examples are presented to illustrate this novel implementation of the optimality criterion method.

Wang, Bo Ping↗

Present state of knowledge of the upper atmosphere 1990: An assessment report

NASA is charged with the responsibility to report on the state of the knowledge of the Earth's upper atmosphere, particularly the stratosphere. Part 1 of this report, issued earlier this year, summarized the objectives, status, and accomplishments of the research tasks supported under NASA's Upper Atmosphere Research Program during the last two years. New findings since the last report to Congress was issued in 1988 are presented. Several scientific assessments of the current understanding of the chemical composition and physical structure of the stratosphere are included, in particular how the abundance and distribution of ozone is predicted to change in the future. These reviews include: a summary of the most recent international assessment of stratospheric ozone; a study of future chlorine and bromine loading of the atmosphere; a review of the photochemical and chemical kinetics data that are used as input parameters for the atmospheric models; a new assessment of the impact of Space Shuttle launches on the stratosphere; a summary of the environmental issues and needed research to evaluate the impact of the newly re-proposed fleet of stratospheric supersonic civil aircraft; and a list of the contributors to this report and the science assessments which have formed our present state of knowledge of the upper atmosphere and ozone depletion.

Watson, R. T.↗

Cellular instability in rapid directional solidification - Bifurcation theory

Merchant and Davis performed a linear stability analysis on a model for the directional solidification of a dilute binary alloy valid for all speeds. The analysis revealed that nonequilibrium segregation effects modify the Mullins and Sekerka cellular mode, whereas attachment kinetics has no effect on these cells. In this paper, the nonlinear stability of the steady cellular mode is analyzed. A Landau equation is obtained that determines the amplitude of the cells. The Landau coefficient here depends on both nonequilibrium segregation effects and attachment kinetics. This equation gives the ranges of parameters for subcritical bifurcation (jump transition) or supercritical bifurcation (smooth transition) to cells.

Braun, R. J.↗

Electrostatic ion cyclotron velocity shear instability

A local electrostatic dispersion equation is derived for a shear flow perpendicular to an ambient magnetic field, which includes all kinetic effects and involves only one important parameter. The dispersion equation is cast in the form of Gordeyev integrals and is solved numerically. Numerical solutions indicate that an ion cyclotron instability is excited. The instability occurs roughly at multiples of the ion cyclotron frequency (modified by the shear), with the growth rate or the individual harmonics overlapping in the wavenumber. At large values of the shear parameter, the instability is confined to long wavelengths, but at smaller shear, a second distinct branch at shorter wavelengths also appears. The properties of the instability obtained are compared with those obtained in the nonlocal limit by Ganguli et al. (1985, 1988).

Lemons, D. S.↗

Is Water Necessary for Life?

The universality of water as the solvent for life is usually justified by its role in supporting the rich organic chemistry. It has been pointed out, however, that even richer synthetic chemistry is possible in other organic solvents. Does it mean that water is not necessary for life? Here, other, essential criteria for solvent for life that have not been sufficiently considered are discussed. In biological systems, complex molecules are not only constantly synthesized but also degraded. Solvent-mediated degradation is essential for regulating cell content, preventing overcrowding and allowing for recycling organic material. Achieving a balance between synthetic and degradative processes is facile in water, but not in many other organic liquids. Thus, the so-called “water paradox” according to which water is both necessary to life and toxic to biopolymer synthesis might not be paradoxical at all. The machinery of life is based on non-covalent interactions that do not involve making or breaking chemical bonds. Their strength needs to be properly tuned. If they are too weak, there might be undesired response to natural fluctuations of physical or chemical parameters. If they are too strong, the kinetics and energetics of cellular processes could adversely influenced. The solvent must allow for balancing these interactions, which provides strong, universal constraints on the medium for life. Water influences non-covalent interactions mainly by two mechanisms. First, it reduces strong, electrostatic interactions between molecules, chemical groups or atoms carrying electric charge or dipole. Second, it induces the hydrophobic effect, the tendency to remove non-polar (hydrophobic) molecules and groups from direct contact with aqueous solution and, instead, interact with each other. In living systems, the hydrophobic effect is largely responsible for self-organization of molecules to more complex structures, such as aggregation of lipid molecules to form biological membranes and protein folding. Water exists as stable liquid in a large temperature range, and the hydrophobic effects are a consequence of the temperature insensitivity of essential properties of its liquid state. In summary, water accomplishes an amazing feat – it reduces strong interactions between dissolved species and simultaneously increases the strength of weak interactions, bringing all of them to the right range. Once we consider not only synthetic capabilities but also other required traits of the solvent for life, no viable alternative to water is currently known.

Life↗

The ESA Hera Mission: Detailed Investigation of the NASA Dart Impact Outcome and Characterization of the Binary Asteroid Didymos

The Hera mission is in development in the Space Safety Program of the European Space Agency (ESA) in collaboration with JAXA for launch in October 2024. It will rendezvous with the binary asteroid (65803) Didymos in early 2027 and over the following 6 months will investigate the properties of Didymos and its small moon Dirmorphos, including the effects of the successful impact of the NASA DART probe. DART was launched on 24 November 2021 at 06:21 UTC and successfully impacted at about 6.1 km/s on the 160 meter-size Dimorphos on 26 September 2022 at 23:14 UTC. Two weeks before impact, it deployed the Light Italian Cubesat for Imaging of Asteroids (LICIACube) that provided images during the few minutes following the impact. A campaign of observations from Earth and space provided distant images of the event, which were used to determine a reduction of 33 min in the orbital period of Dimorphos around Didymos. The Hera mission will investigate the outcome of the DART impact in detail. In particular, it will determine the effects of the impact on Dimorphos’ surface, e.g., whether it produced a crater, and if so its properties, and/or whether it led to global reshaping of Dimorphos. It will accurately measure the mass of Dimorphos, which will allow quantification of the momentum enhancement factor, which is a crucial parameter to evaluate the efficiency of the kinetic impactor technique. Hera will also determine in detail the physical, thermal and compositional properties of the asteroid, including first time measurements of the internal properties, which have a critical influence on the impact outcome. With Hera and DART together, we will have a fully documented deflection test and impact experiment that will allow us to verify our numerical impact models, to be able to extrapolate this deflection test to other asteroids and to improve our understanding of the complex geological properties and response of small asteroids. Hera consists of a mother spacecraft and two cubesats. It will perform the first rendezvous with a binary asteroid, arriving at Didymos about 4 years after DART. Hera will not only contribute significantly to the planetary defense effort by documenting entirely the outcome of the DART impact, it will also greatly advance our understanding of processes in the very low gravity regime of a small asteroidv (Dimorphos) as well as our knowledge of binary asteroids and asteroid geophysics. The mission development is progressing nominally, with the Critical Design Review having been passed in Nov. 2022. The various working groups of the Hera Science Team are working intensively to support this development and be best prepared for the surprises that Hera will offer during its visit to Didymos in 2027.

Asteroid deflection↗

Rapid fabrication of hierarchically structured supramolecular nanocomposite thin films in one minute

Functional nanocomposites containing nanoparticles of different chemical compositions may exhibit new properties to meet demands for advanced technology. It is imperative to simultaneously achieve hierarchical structural control and to develop rapid, scalable fabrication to minimize degradation of nanoparticle properties and for compatibility with nanomanufacturing. The assembly kinetics of supramolecular nanocomposite in thin films is governed by the energetic cost arising from defects, the chain mobility, and the activation energy for inter-domain diffusion. By optimizing only one parameter, the solvent fraction in the film, the assembly kinetics can be precisely tailored to produce hierarchically structured thin films of supramolecular nanocomposites in approximately one minute. Moreover, the strong wavelength dependent optical anisotropy in the nanocomposite highlights their potential applications for light manipulation and information transmission. The present invention opens a new avenue in designing manufacture-friendly continuous processing for the fabrication of functional nanocomposite thin films.

36 MATERIALS SCIENCE↗

Nonstationary model of an axisymmetric mirror trap with nonequilibrium plasma

The DOL nonstationary model intended to describe plasma processes in axisymmetric magnetic mirror traps is considered. The model uses averaging over the bounce period in order to take into account the dependence of plasma parameters on the coordinate along the facility axis. Examples of calculations of trap parameters by means of the DOL code based on this model are presented. Among the features of the DOL model, one can single out two points: first, the capability of calculating the terms of the collision integral with the use of a non-Maxwellian scattering function while evaluating the distribution function of fast ions and, second, concerning the background plasma, the capability of calculating the longitudinal particle and energy fluxes in confinement modes with the particle mean free path being on the order of the trap length. The influence of the scattering function approximation used to calculate the collision integral on the solution to the kinetic equation is analyzed. The dependences of plasma parameters on the power of heating injectors and the length of the fast-ion turning zone are presented as calculation examples. The longitudinal profile of the fusion reaction rate in the case of a trap with a long fast-ion turning zone is shown to depend strongly on the input parameters of the model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

The Mechanism of Influence of Disperse Nanoparticles on Parameters of the Martensitic Transitions in Alloys with the Shape Memory Effect

Within the diffuse martensitic transition theory based on the thermodynamic and kinetic equations and relations, the mechanism of influence of disperse nanoparticles on the parameters of martensitic transitions in alloys with the shape memory effect (SME) is analyzed. The objects of the analysis are the TiNi alloy with the varied sizes of Ti{sub 3}Ni{sub 4} particle at their constant volume concentration, and the NiMnGaTb alloy with Tb precipitate particles with constant sizes and variation of volume concentration of the precipitates. Information about these alloys is available in the literature. The analysis has shown that, due to the coherent coupling of the Ti{sub 3}Ni{sub 4} particles with the substrate, the temperature width of the transition R–B19' depends on the particle sizes, which confirms the earlier established regularity of the local interior strain influence on this parameter. Concerning the NiMnGaTb alloy, the analysis has shown that, due to the presence of interior local strains associated with the Tb particles, the temperature width of the martensitic transformations increases linearly alongside the growth of the particle concentration in the alloy. The existence of the critical value of the particle concentration, above which the temperature width of the transition becomes indefinitely large, and the martensitic transformation in the alloy is blocked, is shown.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Subsurface Nitrogen Dissociation Kinetics in Lithium Metal from Metadynamics

The dissociation of molecular nitrogen in lithium is of interest for several promising technologies, such as the catalytic synthesis of ammonia in ambient or mild conditions. In this work we simulate nitrogen dissociation in the lithium BCC (110) surface at ambient and elevated temperatures using density functional theory (DFT) metadynamics simulations. The rate constants at temperatures of 300, 400, and 500 K are calculated by statistical analysis of the reaction time distributions from the accelerated simulations. This approach finds and estimates rate constants for transition pathways out of the initial state; the required input is the stable initial state and a reasonable choice of collective variable. A single collective variable is used in this case: the N–N distance. The results are robust to changes in metadynamics parameters, and the reaction time distributions follow the expected exponential distribution. We show that the metadynamics-derived rate constants are in agreement with results from the conventional harmonic approximation approach using a climbing image nudged elastic band (NEB) transition state search. The reaction barriers from metadynamics and the NEB/harmonic approximation agree to within 0.02–0.04 eV at all temperatures studied. This paper demonstrates that the harmonic approximation provides an accurate description of the rate constants for nitrogen dissociation in lithium metal, even at temperatures near or above the melting point of lithium, lending credence to previous and future theoretical studies using this approximation. Moreover, this work demonstrates a step toward the automated exploration and discovery of reaction mechanisms and associated rate constants for elementary surface-catalyzed reactions using DFT-based metadynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Tuning the many-body interactions in a helical Luttinger liquid

In one-dimensional (1D) systems, electronic interactions lead to a breakdown of Fermi liquid theory and the formation of a Tomonaga-Luttinger Liquid (TLL). The strength of its many-body correlations can be quantified by a single dimensionless parameter, the Luttinger parameter K, characterising the competition between the electrons’ kinetic and electrostatic energies. Recently, signatures of a TLL have been reported for the topological edge states of quantum spin Hall (QSH) insulators, strictly 1D electronic structures with linear (Dirac) dispersion and spin-momentum locking. Here we show that the many-body interactions in such helical Luttinger Liquid can be effectively controlled by the edge state’s dielectric environment. This is reflected in a tunability of the Luttinger parameter K, distinct on different edges of the crystal, and extracted to high accuracy from the statistics of tunnelling spectra at tens of tunnelling points. The interplay of topology and many-body correlations in 1D helical systems has been suggested as a potential avenue towards realising non-Abelian parafermions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Probabilistic effects of porosity and chemical kinetics on the shock initiation of an octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) based explosive

In this work, we investigate the effects of porosity and chemical reactivity on the shock initiation of an HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine)-based polymer bonded explosive due to thin flyer impact using two-dimensional mesoscale simulations. Microstructural samples are computationally generated, and the calculated shock response is compared to experiments. The sample dimensions are 0.1×1.05 mm 2 , and each sample accounts for grain scale heterogeneities, including randomized grain morphology and pore spacing. Simulations are performed using the Lawrence Livermore National Laboratory (LLNL) arbitrary Lagrangian–Eulerian multi-physics code ALE3D. Chemistry and equation of states are handled with LLNL's thermochemical code Cheetah. We employ a modified Arrhenius-based chemical kinetics model that scales the temperature exponent fitting parameter with flyer shock conditions. This new model is calibrated to the mean response of experimental shock initiation thresholds for three separate Kapton flyer thicknesses. A simplified shock initiation criterion is proposed, which classifies the macroscale initiation response based on cross-sectional temperature profiles of the shocked sample. This criterion is used to further investigate the probabilistic response of the sample to variations in the mean porosity and chemical kinetics rate, and we find an inverse correlation between the shock pressure and the confidence interval of the experimental threshold velocity. Furthermore, the methodology presented in this work for quantifying the probabilistic nature of shock initiation is material agnostic. These mesoscale studies may be used to inform continuum scale models and expedite the development of future, tailored energetic formulations.

36 MATERIALS SCIENCE↗

Excitation of sodium D-line radiation in collisions of sodium atoms with internally excited H2, D2 and N2.

Excitation of D-line radiation in collisions of Na atoms with vibrationally excited N2, H2, and D2 was studied in two modulated crossed-beam experiments. In both experiments, the molecular excitation was provided by heating the molecular beam to temperatures which were assumed to give populations corresponding to the Boltzmann distribution. In the first experiment, a total rate coefficient was measured as a function of molecular beam temperature. The second experiment achieved partial separation of internal vs kinetic energy transfer effects by using a velocity-selected molecular beam. The data from both experiments were used to determine parameters for the dependence of the transfer cross section upon the kinetic energy for a given change in the vibrational quantum number. Results indicate that most of the Na excitation energy comes from internal vibrational energy, with the remainder coming from kinetic energy.

Krause, H. F.↗

Carbon Dioxide Insertion into Rhenium Hydrides as a Probe for the Impact of Solvent on Linear Free Energy Relationships between Thermodynamic and Kinetic Hydricity

The kinetics of CO 2 insertion into electronically different Re( R bpy)(CO) 3 H ( R bpy = 4,4'-R-2,2'- bipyridine; R = OMe, t Bu, Me, H, Br, COOMe, CF 3 ) complexes to form Re( R bpy)(CO) 3 {OC(H)O} compounds were determined in acetone, dimethylacetamide (DMAc), dimethylformamide (DMF), dimethylsulfoxide (DMSO), and 3-methoxypropionitrile (3-MPN) and compared with previous data in acetonitrile (MeCN). The rates of CO 2 insertion for any one complex of the type Re(Rbpy)(CO) 3 H in different solvents correlates with the Dimroth-Reichardt (E T (30)) solvent parameter. Hammett plots in each solvent indicate that insertion reactions are faster for bpy ligands with electron-donating groups. There is, however, no correlation between the slope of the Hammett plot in different solvents and any common solvent parameter. Similarly, the enthalpies and entropies of activation and kinetic isotope effects associated with CO 2 insertion into Re(bpy)(CO) 3 H in different solvents do not correlate with any common solvent parameters. Theoretical calculations were used to determine the relative thermodynamic hydricities of Re( R bpy)(CO) 3 H type complexes in MeCN, acetone, DMF, and DMSO and in each solvent complexes with more electron-donating substituents on the bpy ligand are stronger hydride donors. Linear Free Energy Relationships (LFERs) between calculated thermodynamic and experimental kinetic hydricity, as measured through CO 2 insertion reactions, were observed in MeCN, acetone, DMF, and DMSO. Furthermore, the slopes of the LFERs correlate with the dielectric constant of the solvent. Overall, this work provides fundamental information about the thermodynamics and kinetics of hydride transfer reactions in different solvents, which is valuable for catalyst design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Embedded Error Bayesian Calibration of Thermal Decomposition of Organic Materials

Organic materials are an attractive choice for structural components due to their light weight and versatility. However, because they decompose at low temperatures relative to tradiational materials they pose a safety risk due to fire and loss of structural integrity. To quantify this risk, analysts use chemical kinetics models to describe the material pyrolysis and oxidation using thermogravimetric analysis. This process requires the calibration of many model parameters to closely match experimental data. Previous efforts in this field have largely been limited to finding a single best-fit set of parameters even though the experimental data may be very noisy. Furthermore the chemical kinetics models are often simplified representations of the true de- composition process. The simplification induces model-form errors that the fitting process cannot capture. In this work we propose a methodology for calibrating decomposition models to thermogravimetric analysis data that accounts for uncertainty in the model-form and experimental data simultaneously. The methodology is applied to the decomposition of a carbon fiber epoxy composite with a three-stage reaction network and Arrhenius kinetics. The results show a good overlap between the model predictions and thermogravimetric analysis data. Uncertainty bounds capture devia- tions of the model from the data. The calibrated parameter distributions are also presented. In conclusion, the distributions may be used in forward propagation of uncertainty in models that leverage this material.

36 MATERIALS SCIENCE↗