Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “generative diffusion”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Modeling MHD accretion-ejection: episodic ejections of jets triggered by a mean-field disk dynamo

We present MHD simulations exploring the launching, acceleration, and collimation of jets and disk winds. The evolution of the disk structure is consistently taken into account. Extending our earlier studies, we now consider the self-generation of the magnetic field by an α{sup 2}Ω mean-field dynamo. The disk magnetization remains on a rather low level, which helps to evolve the simulations for T > 10, 000 dynamical time steps on a domain extending 1500 inner disk radii. We find the magnetic field of the inner disk to be similar to the commonly found open field structure, favoring magneto-centrifugal launching. The outer disk field is highly inclined and predominantly radial. Here, differential rotation induces a strong toroidal component, which plays a key role in outflow launching. These outflows from the outer disk are slower, denser, and less collimated. If the dynamo action is not quenched, magnetic flux is continuously generated, diffuses outward through the disk, and fills the entire disk. We have invented a toy model triggering a time-dependent mean-field dynamo. The duty cycles of this dynamo lead to episodic ejections on similar timescales. When the dynamo is suppressed as the magnetization falls below a critical value, the generation of the outflows and also accretion is inhibited. The general result is that we can steer episodic ejection and large-scale jet knots by a disk-intrinsic dynamo that is time-dependent and regenerates the jet-launching magnetic field.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Recovering position-dependent diffusion from biased molecular dynamics simulations

All atom molecular dynamics (MD) models provide valuable insight into the dynamics of biophysical systems, but are limited in size or length by the high computational demands. The latter can be reduced by simulating long term diffusive dynamics (also known as Langevin dynamics or Brownian motion) of the most interesting and important user-defined parts of the studied system, termed collective variables (colvars). A few hundred nanosecond-long biased MD trajectory can therefore be extended to millisecond lengths in the colvars subspace at a very small additional computational cost. In this work, we develop a method for determining multidimensional anisotropic position- and timescale-dependent diffusion coefficients (D) by analysing the changes of colvars in an existing MD trajectory. As a test case, we obtained D for dihedral angles of the alanine dipeptide. An open source Mathematica{sup ®} package, capable of determining and visualizing D in one or two dimensions, is available at https://github.com/lbf-ijs/DiffusiveDynamics . Given known free energy and D, the package can also generate diffusive trajectories.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1995

Kinematic models of supergranular diffusion on the Sun

We develop kinematic models of diffusion generated by supergranulation at the solar surface. These models use current observations for the size, horizontal velocity, and lifetime of supergranules. Because there is no observational description of the appearance and disappearance of supergranules, we investigate models using several plausible evolution processes, including the effect of different lifetime distribution functions for the cells. The results are quite insensitive to the methods chosen to replace old supergranules, the distribution of cell lifetimes, and even the cell lifetime itself, for mean lifetimes between 15 to 30 hr. Calculated diffusion coefficients range between 500 and 700 sq km/s, in agreement with the best fit diffusion coefficients used by Sheeley and his collaborators to model the large-scale distribution of magnetic fields over the solar surface. However, our models do not explain the field distribution in plage, and they predict that virtually all the strong field in quiet Sun exists in relatively isolated clumps. We suggest possible mechanisms for the creation of plage and the bright network seen in quiet Sun.

Simon, G. W.↗
DOE OSTI2014

Modelling of illuminated current–voltage characteristics to evaluate leakage currents in long wavelength infrared mercury cadmium telluride photovoltaic detectors

The current–voltage characteristics of long wavelength mercury cadmium telluride infrared detectors have been studied using a recently suggested method for modelling of illuminated photovoltaic detectors. Diodes fabricated on in-house grown arsenic and vacancy doped epitaxial layers were evaluated for their leakage currents. The thermal diffusion, generation–recombination (g-r), and ohmic currents were found as principal components of diode current besides a component of photocurrent due to illumination. In addition, both types of diodes exhibited an excess current component whose growth with the applied bias voltage did not match the expected growth of trap-assisted-tunnelling current. Instead, it was found to be the best described by an exponential function of the type, I{sub excess} = I{sub r0} + K{sub 1} exp (K{sub 2} V), where I{sub r0}, K{sub 1}, and K{sub 2} are fitting parameters and V is the applied bias voltage. A study of the temperature dependence of the diode current components and the excess current provided the useful clues about the source of origin of excess current. It was found that the excess current in diodes fabricated on arsenic doped epitaxial layers has its origin in the source of ohmic shunt currents. Whereas, the source of excess current in diodes fabricated on vacancy doped epitaxial layers appeared to be the avalanche multiplication of photocurrent. The difference in the behaviour of two types of diodes has been attributed to the difference in the quality of epitaxial layers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Electron-Beam-Related Studies of Halide Perovskites: Challenges and Opportunities

Electron beam microscopy and related characterization techniques play an important role in revealing the microstructural, morphological, physical, and chemical information of halide perovskites and their impact on associated optoelectronic devices. However, electron beam irradiation usually causes damage to these beam-sensitive materials, negatively impacting their device performance, and complicating this interpretation. Here, the electron microscopy and spectroscopy techniques are reviewed that are crucial for the understanding of the crystallization and microstructure of halide perovskites. In addition, special attention is paid to assessing and mitigating the electron beam-induced damage caused by these techniques. Since the halide perovskites are fragile, a protocol involving delicate control of both electron beam dose and dose rate, coupled with careful data analysis, is key to enable the acquisition of reliable structural and compositional information such as atomic-resolution images, chemical elemental mapping and electron diffraction patterns. Limiting the electron beam dose is critical parameter enabling the characterization of various halide perovskites. Novel methods to unveil the mechanisms of device operation, including charge carrier generation, diffusion, and extraction are presented in scanning electron microscopy studies combined with electron-beam-induced current and cathodoluminescence mapping. Future opportunities for electron-beam-related characterizations of halide perovskites are also discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2018

The Interface Influence in TiN/SiN{sub x} Multilayer Nanocomposite Under Irradiation

The paper focuses on studying the kinetics of radiation-induced point defects formed in TiN/SiN{sub x} multilayer nanocomposites with account of their generation, diffusion recombination, and the influence of sinks functioning as interfaces. In order to describe the kinetics in nanocrystalline TiN and amorphous SiN{sub x} phases, a finite-difference method is used to solve the system of balance kinetic equations for absolute defect concentrations depending on the spatiotemporal variables. A model of the disclination-dislocation interface structure is used to study the absorption of radiation-induced point defects on the boundaries in created stress fields. It is shown that the interface effectively absorbs point defects in these phases of TiN/SiN{sub x} multilayer nanocomposite, thereby reducing their amount within the space between phases. This behavior of point defects partially explains a mechanism of the radiation resistance in this type of nanocomposites.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2011

Phase-field simulation of irradiated metals Part II : Gas bubble kinetics.

The phase-field model developed in Part I of this work is expanded to include fission gas generation, diffusion, and segregation within bubbles nucleated both homogeneously and heterogeneously along grain boundaries. Illustrative results are presented that characterize bubble growth and shrinkage, as well as the bubble density, size and nucleation rate as a function of the irradiation conditions. Finally, intergranular bubble characteristics such as shape, pinning energy and bubble density are investigated.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Multi-arrival infrasound from meteoroids: Fragmentation signatures versus propagation effects in a fine-scale layered atmosphere

Infrasonic signatures of meteoroid fragmentation are frequently ambiguous: do multiple arrivals signify a complex breakup or merely the distorting effects of a layered atmosphere? Resolving this ambiguity is critical for accurate energy estimates and source reconstruction. In this study, we address this challenge by analyzing a unique regional dataset of well-constrained meteoroid events observed by the Southern Ontario Meteor Network and the co-located Elginfield Infrasound Array. We employ pseudo-differential parabolic equation (PPE) simulations to quantify how fine-scale gravity-wave structures in the stratosphere and lower thermosphere modify acoustic waveforms at ranges <300 km. Our modeling reveals that while fine-scale layering can stretch signals and generate diffuse oscillatory tails, it does not produce discrete, high-amplitude pulse splitting at ranges below ∼140 km. By applying these results to the rare multi-arrival event 20060305, we demonstrate that its distinct double arrival at 100 km range is inconsistent with atmospheric multipathing and provides definitive evidence of separate fragmentation episodes. These findings establish new diagnostic criteria for separating source physics from propagation artifacts, improving the reliability of infrasound as a monitoring tool for natural bolides, space debris re-entries, and catastrophic launch failures.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

De Novo Design of Proteins That Bind Naphthalenediimides, Powerful Photooxidants with Tunable Photophysical Properties

De novo protein design provides a framework to test our understanding of protein function and build proteins with cofactors and functions not found in nature. Here, we report the design of proteins designed to bind powerful photooxidants and the evaluation of the use of these proteins to generate diffusible small-molecule reactive species. Because excited-state dynamics are influenced by the dynamics and hydration of a photooxidant’s environment, it was important to not only design a binding site but also to evaluate its dynamic properties. Thus, we used computational design in conjunction with molecular dynamics (MD) simulations to design a protein, designated NBP (NDI Binding Protein), that held a naphthalenediimide (NDI), a powerful photooxidant, in a programmable molecular environment. Solution NMR confirmed the structure of the complex. We evaluated two NDI cofactors in this de novo protein using ultrafast pump–probe spectroscopy to evaluate light-triggered intra- and intermolecular electron transfer function. Moreover, we demonstrated the utility of this platform to activate multiple molecular probes for protein labeling.

carbonyls↗
DOE OSTI2012

A new fundamental model of moving particle for reinterpreting Schroedinger equation

The study of Schroedinger equation based on a hypothesis that every particle must move randomly in a quantum-sized volume has been done. In addition to random motion, every particle can do relative motion through the movement of its quantum-sized volume. On the other way these motions can coincide. In this proposed model, the random motion is one kind of intrinsic properties of the particle. The every change of both speed of randomly intrinsic motion and or the velocity of translational motion of a quantum-sized volume will represent a transition between two states, and the change of speed of randomly intrinsic motion will generate diffusion process or Brownian motion perspectives. Diffusion process can take place in backward and forward processes and will represent a dissipative system. To derive Schroedinger equation from our hypothesis we use time operator introduced by Nelson. From a fundamental analysis, we find out that, naturally, we should view the means of Newton's Law F(vector sign) = ma(vector sign) as no an external force, but it is just to describe both the presence of intrinsic random motion and the change of the particle energy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

Development of a dielectric barrier discharge enhanced plasma jet in atmospheric pressure air

A plasma jet equipped with dielectric barrier discharge (DBD) is developed to generate diffuse air plasma with fairly large gap and cross sectional area. The diffuse air plasma has two discharge modes under different gap widths from the nozzle to the ground plate electrode. For large gap width, a diffuse plume fills the whole space between the nozzle and the plate electrode after coaxial DBD is ignited when the applied voltage reaches a certain value. Rather than diffuse plasma plume, a bright plasma column bridges the nozzle and the plate electrode with further increasing the applied voltage under small gap width. By optical and electrical measurement, results show that the macroscopically diffuse discharge in air is obtained by the superimposition of radially distributed streamers that appear at different cycles of the applied voltage, and the bright plasma column belongs to atmospheric pressure glow discharge. The molecular vibrational temperature and the gas temperature are given as functions of the peak value of the applied voltage.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

Energy resolution and related charge carrier mobility in LaBr{sub 3}:Ce scintillators

The scintillation response of LaBr{sub 3}:Ce scintillation crystals was studied as function of temperature and Ce concentration with synchrotron X-rays between 9 keV and 100 keV. The results were analyzed using the theory of carrier transport in wide band gap semiconductors to gain new insights into charge carrier generation, diffusion, and capture mechanisms. Their influence on the efficiency of energy transfer and conversion from X-ray or γ-ray photon to optical photons and therefore on the energy resolution of lanthanum halide scintillators was studied. From this, we will propose that scattering of carriers by both the lattice phonons and by ionized impurities are key processes determining the temperature dependence of carrier mobility and ultimately the scintillation efficiency and energy resolution. When assuming about 100 ppm ionized impurity concentration in 0.2% Ce{sup 3+} doped LaBr{sub 3,} mobilities are such that we can reproduce the observed temperature dependence of the energy resolution, and in particular, the minimum in resolution near room temperature is reproduced.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Testing secondary models for the origin of radio mini-halos in galaxy clusters

We present an MHD simulation of the emergence of a radio minihalo in a galaxy cluster core in a “secondary” model, where the source of the synchrotron-emitting electrons is hadronic interactions between cosmic-ray protons with the thermal intracluster gas, an alternative to the “reacceleration model” where the cosmic ray electrons are reaccelerated by turbulence induced by core sloshing, which we discussed in an earlier work. We follow the evolution of cosmic-ray electron spectra and their radio emission using passive tracer particles, taking into account the time-dependent injection of electrons from hadronic interactions and their energy losses. We find that secondary electrons in a sloshing cluster core can generate diffuse synchrotron emission with luminosity and extent similar to observed radio minihalos. However, we also find important differences with our previous work. We find that the drop in radio emission at cold fronts is less prominent than that in our reacceleration-based simulations, indicating that in this flavor of the secondary model the emission is more spatially extended than in some observed minihalos. We also explore the effect of rapid changes in the magnetic field on the radio spectrum. While the resulting spectra in some regions are steeper than expected from stationary conditions, the change is marginal, with differences in the synchrotron spectral index of Δα ≲ 0.15–0.25, depending on the frequency band. This is a much narrower range than claimed in the best-observed minihalos and produced in the reacceleration model. Our results provide important suggestions to constrain these models with future observations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

Phase-field Model for Interstitial Loop Growth Kinetics and Thermodynamic and Kinetic Models of Irradiated Fe-Cr Alloys

Microstructure evolution kinetics in irradiated materials has strongly spatial correlation. For example, void and second phases prefer to nucleate and grow at pre-existing defects such as dislocations, grain boundaries, and cracks. Inhomogeneous microstructure evolution results in inhomogeneity of microstructure and thermo-mechanical properties. Therefore, the simulation capability for predicting three dimensional (3-D) microstructure evolution kinetics and its subsequent impact on material properties and performance is crucial for scientific design of advanced nuclear materials and optimal operation conditions in order to reduce uncertainty in operational and safety margins. Very recently the meso-scale phase-field (PF) method has been used to predict gas bubble evolution, void swelling, void lattice formation and void migration in irradiated materials,. Although most results of phase-field simulations are qualitative due to the lake of accurate thermodynamic and kinetic properties of defects, possible missing of important kinetic properties and processes, and the capability of current codes and computers for large time and length scale modeling, the simulations demonstrate that PF method is a promising simulation tool for predicting 3-D heterogeneous microstructure and property evolution, and providing microstructure evolution kinetics for higher scale level simulations of microstructure and property evolution such as mean field methods. This report consists of two parts. In part I, we will present a new phase-field model for predicting interstitial loop growth kinetics in irradiated materials. The effect of defect (vacancy/interstitial) generation, diffusion and recombination, sink strength, long-range elastic interaction, inhomogeneous and anisotropic mobility on microstructure evolution kinetics is taken into account in the model. The model is used to study the effect of elastic interaction on interstitial loop growth kinetics, the interstitial flux, and sink strength of interstitial loop for interstitials. In part II, we present a generic phase field model and discuss the thermodynamic and kinetic properties in phase-field models including the reaction kinetics of radiation defects and local free energy of irradiated materials. In particular, a two-sublattice thermodynamic model is suggested to describe the local free energy of alloys with irradiated defects. Fe-Cr alloy is taken as an example to explain the required thermodynamic and kinetic properties for quantitative phase-field modeling. Finally the great challenges in phase-field modeling will be discussed.

36 MATERIALS SCIENCE↗
NASA NTRS1978

Uncertainty propagation in a stratospheric model. I - Development of a concise stratospheric model. II - Monte Carlo analysis of imprecisions due to reaction rates

The paper discusses the development of a concise stratospheric model which uses iteration to obtain coupling between interacting species. The one-dimensional, steady-state, diurnally-averaged model generates diffusion equations with appropriate sources and sinks for species odd oxygen, H2O, H2, CO, N2O, odd nitrogen, CH4, CH3Cl, CCl4, CF2Cl2, CFCl3, and odd chlorine. The model evaluates steady-state perturbations caused by injections of chlorine and NO(x) and may be used to predict ozone depletion. The model is used in a Monte Carlo study of the propagation of reaction-rate imprecisions by calculating an ozone perturbation caused by the addition of chlorine. Since the model is sensitive to only 10 of the more than 50 reaction rates considered, only about 1000 Monte Carlo cases are required to span the space of possible results.

Rundel, R. D.↗
NASA NTRS2015

Testing Secondary Models for the Origin of Radio Mini-Halos in Galaxy Clusters

We present an MHD simulation of the emergence of a radio minihalo in a galaxy cluster core in a "secondary" model, where the source of the synchrotron-emitting electrons is hadronic interactions between cosmic-ray protons with the thermal intracluster gas, an alternative to the "reacceleration model" where the cosmic ray electrons are reaccelerated by turbulence induced by core sloshing, which we discussed in an earlier work. We follow the evolution of cosmic-ray electron spectra and their radio emission using passive tracer particles, taking into account the time-dependent injection of electrons from hadronic interactions and their energy losses. We find that secondary electrons in a sloshing cluster core can generate diffuse synchrotron emission with luminosity and extent similar to observed radio minihalos. However, we also find important differences with our previous work. We find that the drop in radio emission at cold fronts is less prominent than that in our reacceleration-based simulations, indicating that in this flavor of the secondary model the emission is more spatially extended than in some observed minihalos. We also explore the effect of rapid changes in the magnetic field on the radio spectrum. While the resulting spectra in some regions are steeper than expected from stationary conditions, the change is marginal, with differences in the synchrotron spectral index of delta(spectral index) less than approximately 0.15-0.25, depending on the frequency band. This is a much narrower range than claimed in the best-observed minihalos and produced in the reacceleration model. Our results provide important suggestions to constrain these models with future observations.

clusters: general aEuro" magnetohydrodynamics (MHD↗
NASA NTRS2015

A Linearized Prognostic Cloud Scheme in NASAs Goddard Earth Observing System Data Assimilation Tools

A linearized prognostic cloud scheme has been developed to accompany the linearized convection scheme recently implemented in NASA's Goddard Earth Observing System data assimilation tools. The linearization, developed from the nonlinear cloud scheme, treats cloud variables prognostically so they are subject to linearized advection, diffusion, generation, and evaporation. Four linearized cloud variables are modeled, the ice and water phases of clouds generated by large-scale condensation and, separately, by detraining convection. For each species the scheme models their sources, sublimation, evaporation, and autoconversion. Large-scale, anvil and convective species of precipitation are modeled and evaporated. The cloud scheme exhibits linearity and realistic perturbation growth, except around the generation of clouds through large-scale condensation. Discontinuities and steep gradients are widely used here and severe problems occur in the calculation of cloud fraction. For data assimilation applications this poor behavior is controlled by replacing this part of the scheme with a perturbation model. For observation impacts, where efficiency is less of a concern, a filtering is developed that examines the Jacobian. The replacement scheme is only invoked if Jacobian elements or eigenvalues violate a series of tuned constants. The linearized prognostic cloud scheme is tested by comparing the linear and nonlinear perturbation trajectories for 6-, 12-, and 24-h forecast times. The tangent linear model performs well and perturbations of clouds are well captured for the lead times of interest.

Precipitation↗
DOE OSTI2017

Runaway electrons in tokamaks

The generation of runaway electrons is a complex and important phenomenon that impacts many areas of plasma physics. Due to the decrease of electron collision frequency with increasing velocity, electrons under strong electric field can experience unlimited “runaway” acceleration. In tokamaks, runaway electrons can be produced in disruptions, due to the strong inductive electric field formed as the thermal energy of plasma gets rapidly lost. This population of runaway electrons can undergo an exponential growth, denoted the runaway electron avalanche, due to hard collisions between relativistic runaway electrons and low energy electrons. It is predicted that in a large tokamak device like the International Thermonuclear Experimental Reactor (ITER), a runway electron beam generated in a disruption event can potentially cause severe damage to the device, which poses a significant challenge for ITER to achieve its mission. It is therefore extremely important to seek an effective mitigation mechanism for runaway electrons. Experimental efforts have been made to study the properties of runaway electrons in tokamaks, including their generation, diffusion, and radiation. In order to understand these experimental results, extensive theoretical and simulation studies of runaway electron physics are required. The main topic of this thesis is to study the wave particle interaction associated with runaway electron beams in tokamaks. The runaway electrons can emit and absorb electromagnetic waves through resonances, and can be diffused in momentum space by the waves. Initially, we address the Cherenkov radiation of runaway electrons, which originates from the polarization of the plasma medium. The energy and momentum loss of the Cherenkov radiation can be modeled by adding a correction to the Coulomb logarithm in the collisional drag force. Subsequently, we address pitch angle scattering caused by normal modes in the plasma, which are driven unstable by the anisotropicity of the runaway electron beam. The fluctuating electromagnetic fields are found to act as a seed for the unstable normal modes. Numerical simulations show that the pitch angle scattering effect from the normal modes, mainly whistler waves, can be significantly larger than that from collisional pitch angle scattering. Finally, we present a synthetic diagnostic tool we developed to calculate the electron cyclotron emission (ECE) from the runaway electrons, and successfully reproduce the prompt growth of the ECE signal observed in DIII-D quiescent runaway electron (QRE) experiments. Within the thesis, we also present the application of the adjoint method to runaway electron research, and show the calculations of the runaway probability function (RPF) and the expected loss time (ELT). These calculations not only help depict the dynamics of runaway electrons in momentum space, but also can be used to efficiently calculate experimentally relevant quantities such as the critical electric field for runaway electron avalanche and the avalanche growth rate.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗