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At least 721 records · Page 40

Extinction and survival in two-species annihilation

In this paper, we study diffusion-controlled two-species annihilation with a finite number of particles. In this stochastic process, particles move diffusively, and when two particles of opposite type come into contact, the two annihilate. We focus on the behavior in three spatial dimensions and for initial conditions where particles are confined to a compact domain. Generally, one species outnumbers the other, and we find that the difference between the number of majority and minority species, which is a conserved quantity, controls the behavior. When the number difference exceeds a critical value, the minority becomes extinct and a finite number of majority particles survive, while below this critical difference, a finite number of particles of both species survive. The critical difference ${\mathrm{{\Delta}}}_{c}$ grows algebraically with the total initial number of particles N, and when $N{\gg}1$, the critical difference scales as ${\mathrm{{\Delta}}}_{c}{\sim}{N}^{1/3}$. Furthermore, when the initial concentrations of the two species are equal, the average number of surviving majority and minority particles ${M}_{+}$ and ${M}_{{-}}$, exhibit two distinct scaling behaviors, ${M}_{+}{\sim}{N}^{1/2}$ and ${M}_{{-}}{\sim}{N}^{1/6}$. Finally, in contrast, when the initial populations are equal, these two quantities are comparable ${M}_{+}{\sim}{M}_{{-}}{\sim}{N}^{1/3}$.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

An Evaluation of Size-Resolved Cloud Microphysics Scheme Numerics for use with Radar Observations Part II: Condensation and Evaporation

Accurate numerical modeling of clouds and precipitation is essential for weather forecasting and climate change research. While size-resolved (bin) cloud microphysics models predict particle size distributions without imposing shapes, results are subject to artificial size distribution broadening owing to numerical diffusion associated with various processes. Whereas Part 1 addressed collision-coalescence, here we investigate numerical diffusion that occurs in solving condensation and evaporation. In a parcel model framework, all of the numerical schemes examined converge to one solution of condensation and evaporation as the mass grid is refined, and the advection-based schemes are recommended over the reassigning schemes. Including Eulerian vertical advection in a column limits the convergence to some extent, but that limitation occurs at a sufficiently fine mass grid, and the number of iterations in solving vertical advection should be minimized to reduce numerical diffusion. Insubstantial numerical diffusion in solving condensation can be amplified if collision-coalescence is also active, which in turn can be substantially diminished if turbulence effects on collision are incorporated. Large-eddy simulations of a drizzling stratocumulus field reveal that changes in moments of Doppler spectra obtained using different mass grids are consistent with those obtained from the simplified framework, and that spectral moments obtained using a mass grid designed to effectively reduce numerical diffusion are generally closer to observations. Notable differences between the simulations and observations still exist, and our results suggest a need to consider whether factors other than numerical diffusion in the fundamental process schemes employed can cause such differences.

Cloud microphysics↗

Thermal and solutal conditions at the tips of a directional dendritic growth front

The line-of-sight averaged, time-dependent dendrite tip concentrations for the diffusion dominated vertical directional solidification of a metal model (ammonium chloride and water) were obtained by extrapolating exponentially fit diffusion layer profiles measured using a laser interferometer. The tip concentrations were shown to increase linearly with time throughout the diffusion dominated growth process for an initially stagnant dendritic array. The process was terminated for the cases chosen by convective breakdown suffered when the conditionally stable diffusion layer exceeded the critical Rayleigh criteria. The transient tip concentrations were determined to significantly exceed the values predicted for steady state, thus producing much larger constitutional undercoolings. This has ramifications for growth speeds, arm spacings and the dendritic structure itself.

Mccay, T. D.↗

Numerical simulation of the interaction of transport, diffusion and chemical reactions in an urban plume

A model system is presented that takes into account the main physical and chemical processes on the regional scale here in an area of 100x100 sq km. The horizontal gridsize used is 2x2 sq km. For a case study, it is demonstrated how the model system can be used to separate the contributions of the processes advection, turbulent diffusion, and chemical reactions to the diurnal cycle of ozone. In this way, typical features which are visible in observations and are reproduced by the numerical simulations can be interpreted.

Vogel, Bernhard↗

Heat and mass transfer in flames

Heat- and mass-transfer processes in turbulent diffusion flames are discussed, considering turbulent mixing and the structure of single-phase flames, drop processes in spray flames, and nonluminous and luminous flame radiation. Interactions between turbulence and other phenomena are emphasized, concentrating on past work of the author and his associates. The conserved-scalar formalism, along with the laminar-flamelet approximation, is shown to provide reasonable estimates of the structure of gas flames, with modest levels of empiricism. Extending this approach to spray flames has highlighted the importance of drop/turbulence interactions; e.g., turbulent dispersion of drops, modification of turbulence by drops, etc. Stochastic methods being developed to treat these phenomena are yielding encouraging results.

Faeth, G. M.↗

FNAS modify matric and transparent experiments

Monotectic alloy materials are created by rapid melt/rapid solidification processing on the NASA KC-135. Separation of the uniform liquid into two liquids may occur by either of two processes; spinodal decomposition or nucleation followed by growth. In the first case, the liquid is unstable to composition waves, which form and grow, giving liquids of two different compositions. In the latter process discrete particles of the second liquid phase form via thermal fluctuations and then grow by diffusion. The two processes are very different, with the determining process being dictated by temperature, composition, and thermodynamic characteristics of the alloy. The first two quantities are process variables, while the third is determined by electronic interactions between the atoms in the alloy. In either case the initial alloy decomposition is followed by coarsening, resulting in growth of the particle size at nearly constant volume fraction. In particular, reduced gravity experiments on monotectic solutions have shown a number of interesting results in the KC-135. Monotectic solutions exhibit a miscibility gap in the liquid state, and consequently, gravity driven forces can dominate the solidification parameters at 1 g. In reduced gravity however, the distribution of the phases is different, resulting in new and interesting microstructures. The Rapid Melt/Rapid Quench Furnace allows one to melt a sample and resolidify it in one parabola of the KC-135's flight path, thus eliminating any accumulative influence of multiple parabolas to affect the microstructure of the material.

Smith, Guy A.↗

Effect of Alloying Additions on Twinning in Ni-based Superalloys

Micro-twinning is the dominant creep deformation mechanism in Ni-based superalloys at temperatures above 700 °C. We use atomistic simulations to study two mechanisms of twin nucleation and growth that are characterized by qualitatively different rate limiting processes. In case of the mechanism proposed by Kolbe, the rate limiting process is diffusion-mediated atomic reshuffling. In case of the other mechanism, we proposed recently, the rate limiting process is nucleation of Shockley partial dislocation. We demonstrate the effects of alloying additions on functionality of these mechanisms.

Valery V Borovikov↗

Effect of Alloying Additions on Twinning in Ni-Based Superalloys

Micro-twinning is the dominant creep deformation mechanism in Ni-based superalloys at temperatures above 700 C. We use atomistic simulations to study two mechanisms of twin nucleation and growth that are characterized by qualitatively different rate limiting processes. In case of the mechanism proposed by Kolbe, the rate limiting process is diffusion-mediated atomic reshuffling. In case of the other mechanism, we proposed recently, the rate limiting process is nucleation of Shockley partial dislocation. We demonstrate the effects of alloying additions on functionality of these mechanisms.

Ni-based superalloys↗

Bounce-averaged theory in arbitrary multi-well plasmas: solution domains and the graph structure of their connections

Bounce-averaged theories provide a framework for simulating relatively slow processes, such as collisional transport and quasilinear diffusion, by averaging these processes over the fast periodic motions of a particle on a closed orbit. This procedure dramatically increases the characteristic time scale and reduces the dimensionality of the modelled system. The natural coordinates for such calculations are the constants of motion (COM) of the fast particle motion, which by definition do not change during an orbit. However, for sufficiently complicated fields – particularly in the presence of local maxima of the electric potential and magnetic field – the COM are not sufficient to specify the particle trajectory. In such cases, multiple domains in COM space must be used to solve the problem, with boundary conditions enforced between the domains to ensure continuity and particle conservation. Previously, these domains have been imposed by hand, or by recognising local maxima in the fields, limiting the flexibility of bounce-averaged simulations. Here, we present a general set of conditions for identifying consistent domains and the boundary condition connections between the domains, allowing the application of bounce-averaged theories in arbitrarily complicated and dynamically evolving electromagnetic field geometries. We also show how the connections between the domains can be represented by a directed graph, which can help to succinctly represent the trajectory bifurcation structure.

fusion plasma↗

PLUMECALC, Version 2.3.x

PLUMECALC is a post processor to random walk particle tracking simulations of subsurface solute transport. PLUMECALC takes results of a single particle tracking run without retention processes and incorporates the effects of matrix diffusion or other retention processes for a user-specified solute source.

Dash, Zora↗

Diffusion and Solvation Dynamics of Ions in Water: Beyond the Brownian Approximation

The coupled dynamics of ions and water molecules in their first hydration shell impact a variety of processes including ion diffusion, selective ion transport in water-filled nanopores, and the kinetics of ion-pairing, ion adsorption, and metal-ligand binding reactions. In this work, we study these coupled dynamics for alkali metals (Li, Na, K, Rb, Cs), alkaline Earth metals (Mg, Ca, Sr, Ba), and chloride through the lens of their dependence on ion isotopic mass. Results are validated against previous measurements of the isotopic mass-dependence of ion diffusion coefficients in water and previous ab initio calculations of ion high-frequency dynamics in water. We find that the vibrational power spectra of ions in water consistently exhibit either two or three peaks, i.e., ions have several rattling frequencies within their solvations shells as previously reported for a subset of the species examined here. These frequencies have different sensititivies to isotopic mass that may serve as signatures of ion solvation processes (such as the tendency of ions to orient their first-shell water molecules) and that also may relate to Hofmeister-like effects including the relative affinity of different metals for ribonucleic acid (RNA).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The influence of pilot injection on high-temperature ignition processes and early flame structure in a high-speed direct injection diesel engine

Simultaneous high-speed natural luminosity and OH* chemiluminescence imaging is used to characterize high-temperature ignition processes in conventional diesel combustion with a pilot-main injection strategy in a single-cylinder, light-duty optical diesel engine. High-speed imaging provides temporally and spatially resolved information in terms of high-temperature ignition processes and flame structure during the combustion. Using these imaging measurements, the high-temperature inflammation and the diffusion flame development processes are analyzed. The chemiluminescence signal shows a hot, reactive mixture, which gradually decreases after the peak release of the pilot combustion and lasts long after the apparent heat release has ended. Therefore, when the reactive pilot mixture exists near the main injection jets, the high-temperature ignition of the main injection is apparently initiated through interactions with the reactive pilot mixture. High-temperature autoignition, another process by which ignition of the main injection occurs, is observed in main injection plumes where the chemiluminescence signal of the reactive pilot mixture becomes very weak or is absent at the start of main injection. As the reaction of the main injection continues, the non-premixed main injection jet structure is developed and the high-temperature reacting region expands throughout the jet.

Park, Cheolwoong↗

Analysis and evalaution in the production process and equipment area of the low-cost solar array project

The manufacturing methods for photovoltaic solar energy utilization are assessed. Economic and technical data on the current front junction formation processes of gaseous diffusion and ion implantation are presented. Future proposals, including modifying gaseous diffusion and using ion implantation, to decrease the cost of junction formation are studied. Technology developments in current processes and an economic evaluation of the processes are included.

Goldman, H.↗

Phase-field modeling of diffusion bonding in 316H stainless steel: Impact of processing conditions on grain morphology and bonding quality

A novel multi-phase, multi-component phase‐field model is presented to study the diffusion bonding of 316H stainless steel. Combined with targeted experimental investigations, this model simulates the bond-growth process and predicts the bonding quality. Unlike previous models, our approach captures the simultaneous evolution of voids and grain structures, while quantifying bonding quality using defined bonding ratio. A comprehensive analysis of bond process control is performed by changing temperature, pressure and surface roughness observing the resulting bond structure, which is consistent with experimental observations and analytical predictions. Temperature is determined to be the dominant factor, with the transition from a flat to a robust bond occurring between 1000 °C and 1050 °C. At the ideal bonding temperature of 1050 °C, a surface roughness exceeding 0.6 μm or an applied stress below 4 MPa results in poor bonding quality. Beyond this, higher pressures and smoother surfaces reduce void size, accelerate void shrinkage, and lead to improved bond integrity. This diffuse-interface model can be extended to other material systems if supplied with appropriate thermodynamic and kinetic data. In conclusion, this makes it an effective modeling platform for optimizing high-temperature diffusion bonding and developing reliable bonded components such as compact heat exchangers.

Diffusion bonding↗

Amorphous and crystalline TiO 2 nanoparticle negative electrodes for sodium-ion batteries

Titanium dioxide (TiO 2 ) is a promising negative electrode for sodium ion batteries (SIBS). Although TiO 2 materials with amorphous (A-TiO 2 ) and single-phase crystalline structures (C-TiO 2 ) have been separately explored, the study to compare the fundamental electrochemistry of A-TiO 2 and C-TiO 2 is limited. In this work, we investigated A-TiO 2 and C-TiO 2 nanoparticles with identical chemical composition and morphology. C-TiO 2 exhibits enhanced electrochemical performance than A-TiO 2 in terms of rate capability and cycle life. Cyclic voltammetry (CV) analysis suggests reversible Na ion insertion/extraction in C-TiO 2 . However, such process is irreversible in the case of A-TiO 2 . The charge storage mechanisms in both samples were studied to show that diffusion-controlled intercalation process becomes significant in C-TiO 2 sample. The C-TiO 2 sample has a better Na + diffusivity measured through the galvanostatic intermittent titration technique (GITT) compared to A-TiO 2 , which corroborates well with the rate capability study. Furthermore, the evolution of local structure of the TiO 2 samples was analyzed by ex situ pair distribution function (PDF) to understand the variation in electrochemical properties. In conclusion, it reveals that the corner-shared Ti-Ti distance along Na ion diffusion pathway increases with the increase of crystallinity, leading to the expanded diffusion channels and therefore more active sites and faster diffusion.

25 ENERGY STORAGE↗

An evaluation of size-resolved cloud microphysics scheme numerics for use with radar observations Part II: Condensation and evaporation

Accurate numerical modeling of clouds and precipitation is essential for weather forecasting and climate change research. While size-resolved (bin) cloud microphysics models predict particle size distributions without imposing shapes, results are subject to artificial size distribution broadening owing to numerical diffusion associated with various processes. Whereas Part I of this study addressed collision–coalescence, here we investigate numerical diffusion that occurs in solving condensation and evaporation. In a parcel model framework, all of the numerical schemes examined converge to one solution of condensation and evaporation as the mass grid is refined, and the advection-based schemes are recommended over the reassigning schemes. Including Eulerian vertical advection in a column limits the convergence to some extent, but that limitation occurs at a sufficiently fine mass grid, and the number of iterations in solving vertical advection should be minimized to reduce numerical diffusion. Insubstantial numerical diffusion in solving condensation can be amplified if collision–coalescence is also active, which in turn can be substantially diminished if turbulence effects on collision are incorporated. Here, large-eddy simulations of a drizzling stratocumulus field reveal that changes in moments of Doppler spectra obtained using different mass grids are consistent with those obtained from the simplified framework, and that spectral moments obtained using a mass grid designed to effectively reduce numerical diffusion are generally closer to observations. Notable differences between the simulations and observations still exist, and our results suggest a need to consider whether factors other than numerical diffusion in the fundamental process schemes employed can cause such differences.

54 ENVIRONMENTAL SCIENCES↗

Surface effects on hydrogen permeation through Ti-14Al-21Nb alloy

Hydrogen transport through Ti-14Al-21Nb (wt percent) alloy is measured using ultrahigh vacuum permeation techniques over the temperature range of 500 to 900 C and hydrogen pressure range of 0.25 to 10 torr. Hydrogen permeability through the alloy can be described through two different mechanisms depending on th temperature of exposure. In the 675 to 900 C range, the process is diffusion-limited: the permeability has a weak temperature dependence, but the diffusivity has a strong temperature dependence. Below 675 C, the permeation rate of hydrogen is very sensitive to surface controlled processes such as the formation of a barrier layer from contaminants. A physical model explaining the role of surface films on the transport of hydrogen through Ti-14Al-21Nb alloy was described.

Sankaran, Sandara N.↗