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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Optimal control of anthropogenic carbon dioxide emissions through technological options: a modeling study

The anthropogenic emission of carbon dioxide (CO{sub 2}) is the prime culprit for the menace of global warming. To achieve the goal of mitigation of global warming, it is crucial to curb the anthropogenic carbon dioxide emissions. The prime anthropogenic source of CO{sub 2} is fossil fuel burning. In this paper, we propose a nonlinear mathematical model to study the impact of technological options, used for the reduction of CO{sub 2} emissions from fossil fuel burning and industrial processes, on the control of atmospheric CO{sub 2}. In the modeling process, it is assumed that the technological options are implemented to curb the CO{sub 2} emissions from the source at a rate proportional to the anthropogenic CO{sub 2} emissions. Model analysis reveals that the atmospheric level of CO{sub 2} can be effectively reduced by increasing the implementation rate of technological options and their efficiency. The strategies which optimally reduce atmospheric CO{sub 2} levels while minimizing the cost associated with the implementation of technological options are identified using optimal control theory. Numerical simulation has been carried out to illustrate theoretical results.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Dynamics of an epidemic model with delays and stage structure

In this paper, dynamics of a stage-structured epidemic model with delays and nonlinear incidence rate is analyzed. Local stability and existence of Hopf bifurcation is discussed by choosing possible combination of the delays as the bifurcation parameter. It is proved that the unique endemic equilibrium is locally asymptotically stable when the delay is suitably small and a bifurcating periodic solution will be caused once the delay passes through the corresponding critical value of the delay. We make use of the normal form theory and center manifold theorem to obtain the explicit formulas for determining the properties of the Hopf bifurcation. Numerical simulations supporting our obtained findings are carried out in the end.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Application of stochastic Galerkin FEM to the complete electrode model of electrical impedance tomography

The aim of electrical impedance tomography is to determine the internal conductivity distribution of some physical body from boundary measurements of current and voltage. The most accurate forward model for impedance tomography is the complete electrode model, which consists of the conductivity equation coupled with boundary conditions that take into account the electrode shapes and the contact resistances at the corresponding interfaces. If the reconstruction task of impedance tomography is recast as a Bayesian inference problem, it is essential to be able to solve the complete electrode model forward problem with the conductivity and the contact resistances treated as a random field and random variables, respectively. In this work, we apply a stochastic Galerkin finite element method to the ensuing elliptic stochastic boundary value problem and compare the results with Monte Carlo simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Phase transitions of macromolecular microsphere composite hydrogels based on the stochastic Cahn–Hilliard equation

We use the stochastic Cahn–Hilliard equation to simulate the phase transitions of the macromolecular microsphere composite (MMC) hydrogels under a random disturbance. Based on the Flory–Huggins lattice model and the Boltzmann entropy theorem, we develop a reticular free energy suit for the network structure of MMC hydrogels. Taking the random factor into account, with the time-dependent Ginzburg-Landau (TDGL) mesoscopic simulation method, we set up a stochastic Cahn–Hilliard equation, designated herein as the MMC-TDGL equation. The stochastic term in the equation is constructed appropriately to satisfy the fluctuation-dissipation theorem and is discretized on a spatial grid for the simulation. A semi-implicit difference scheme is adopted to numerically solve the MMC-TDGL equation. Some numerical experiments are performed with different parameters. The results are consistent with the physical phenomenon, which verifies the good simulation of the stochastic term.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Model's sparse representation based on reduced mixed GMsFE basis methods

In this paper, we propose a model's sparse representation based on reduced mixed generalized multiscale finite element (GMsFE) basis methods for elliptic PDEs with random inputs. A typical application for the elliptic PDEs is the flow in heterogeneous random porous media. Mixed generalized multiscale finite element method (GMsFEM) is one of the accurate and efficient approaches to solve the flow problem in a coarse grid and obtain the velocity with local mass conservation. When the inputs of the PDEs are parameterized by the random variables, the GMsFE basis functions usually depend on the random parameters. This leads to a large number degree of freedoms for the mixed GMsFEM and substantially impacts on the computation efficiency. In order to overcome the difficulty, we develop reduced mixed GMsFE basis methods such that the multiscale basis functions are independent of the random parameters and span a low-dimensional space. To this end, a greedy algorithm is used to find a set of optimal samples from a training set scattered in the parameter space. Reduced mixed GMsFE basis functions are constructed based on the optimal samples using two optimal sampling strategies: basis-oriented cross-validation and proper orthogonal decomposition. Although the dimension of the space spanned by the reduced mixed GMsFE basis functions is much smaller than the dimension of the original full order model, the online computation still depends on the number of coarse degree of freedoms. To significantly improve the online computation, we integrate the reduced mixed GMsFE basis methods with sparse tensor approximation and obtain a sparse representation for the model's outputs. The sparse representation is very efficient for evaluating the model's outputs for many instances of parameters. To illustrate the efficacy of the proposed methods, we present a few numerical examples for elliptic PDEs with multiscale and random inputs. In particular, a two-phase flow model in random porous media is simulated by the proposed sparse representation method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

A finite-volume HLLC-based scheme for compressible interfacial flows with surface tension

Shock waves are often used in experiments to create a shear flow across liquid droplets to study secondary atomization. Similar behavior occurs inside of supersonic combustors (scramjets) under startup conditions, but it is challenging to study these conditions experimentally. In order to investigate this phenomenon further, a numerical approach is developed to simulate compressible multiphase flows under the effects of surface tension forces. The flow field is solved via the compressible multicomponent Euler equations (i.e., the five equation model) discretized with the finite volume method on a uniform Cartesian grid. The solver utilizes a total variation diminishing (TVD) third-order Runge–Kutta method for time-marching and second order TVD spatial reconstruction. Surface tension is incorporated using the Continuum Surface Force (CSF) model. Fluxes are upwinded with a modified Harten–Lax–van Leer Contact (HLLC) approximate Riemann solver. An interface compression scheme is employed to counter numerical diffusion of the interface. The present work includes modifications to both the HLLC solver and the interface compression scheme to account for capillary force terms and the associated pressure jump across the gas–liquid interface. A simple method for numerically computing the interface curvature is developed and an acoustic scaling of the surface tension coefficient is proposed for the non-dimensionalization of the model. The model captures the surface tension induced pressure jump exactly if the exact curvature is known and is further verified with an oscillating elliptical droplet and Mach 1.47 and 3 shock-droplet interaction problems. The general characteristics of secondary atomization at a range of Weber numbers are also captured in a series of simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Test particle study of ion transport in drift type turbulence

Ion transport regimes in drift type turbulence are determined in the frame of a realistic model for the turbulence spectrum based on numerical simulations. The model includes the drift of the potential with the effective diamagnetic velocity, turbulence anisotropy, and dominant waves. The effects of the zonal flow modes are also analyzed. A semi-analytical method that is able to describe trajectory stochastic trapping or eddying is used for obtaining the transport coefficients as function of the parameters of the turbulence. Analytical approximations of the transport coefficients are derived from the results. They show the transition from Bohm to gyro-Bohm scaling as plasma size increases in very good agreement with the numerical simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Quantum Markovian master equation for scattering from surfaces

We propose a semi-phenomenological Markovian Master equation for describing the quantum dynamics of atom-surface scattering. It embodies the Lindblad-like structure and can describe both damping and pumping of energy between the system and the bath. It preserves positivity and correctly accounts for the vanishing of the interaction of the particle with the surface when the particle is distant from the surface. As a numerical test, we apply it to a model of an Ar atom scattered from a LiF surface, allowing for interaction only in the vertical direction. At low temperatures, we find that the quantum mechanical average energy loss is smaller than the classical energy loss. The numerical results obtained from the space dependent friction master equation are compared with numerical simulations for a discretized bath, using the multi-configurational time dependent Hartree methodology. The agreement between the two simulations is quantitative.

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

Spontaneous emission of electromagnetic radiation in turbulent plasmas

Known radiation emission mechanisms in plasmas include bremmstrahlung (or free-free emission), gyro- and synchrotron radiation, cyclotron maser, and plasma emission. For unmagnetized plasmas, only bremmstrahlung and plasma emissions are viable. Of these, bremmstrahlung becomes inoperative in the absence of collisions, and the plasma emission requires the presence of electron beam, followed by various scattering and conversion processes. The present Letter proposes a new type of radiation emission process for plasmas in a state of thermodynamic quasi-equilibrium between particles and enhanced Langmuir turbulence. The radiation emission mechanism proposed in the present Letter is not predicted by the linear theory of thermal plasmas, but it relies on nonlinear wave-particle resonance processes. The electromagnetic particle-in-cell numerical simulation supports the new mechanism.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Finite system size effects on drift wave stability

Unstable electrostatic resistive modes, driven by density gradients, are identified in a bounded sheared slab. The boundary conditions play a crucial role and are shown to change the nature of the problem, which is related to so called “universal” mode. The dispersion relation and the structure of the eigenmodes of the instability are derived and are shown to depend on a limited set of dimensionless parameters. The occurrence and possible impact of these modes on numerical simulations and actual plasmas are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Hybrid function projective synchronization in complex dynamical networks

This paper investigates hybrid function projective synchronization in complex dynamical networks. When the complex dynamical networks could be synchronized up to an equilibrium or periodic orbit, a hybrid feedback controller is designed to realize the different component of vector of node could be synchronized up to different desired scaling function in complex dynamical networks with time delay. Hybrid function projective synchronization (HFPS) in complex dynamical networks with constant delay and HFPS in complex dynamical networks with time-varying coupling delay are researched, respectively. Finally, the numerical simulations show the effectiveness of theoretical analysis.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Simulation of the temperature distribution in the selective beam melting process for polymer material

In the present contribution the temperature distribution in the selective beam melting process for polymer materials is simulated to better understand the influence of process parameters on the properties of the produced part. The basis for the developed simulation tool is the nonlinear heat equation including temperature dependent functions for the heat capacity and the heat conduction which were obtained by experimental measurements. The effect of latent heat occurring in the process is also taken into account. The heat equation is discretized in time and space where a Runge-Kutta method of Radau IIA type is used for time integration. An adaptive finite element method is applied for the discretization in space and the model is implemented into the finite element library deal.II. The heat and cooling rate as important process parameters are simulated for different beam velocities. The ability for computing these process parameters makes the simulation tool suited for optimizing the process management of selective beam melting plants.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Collision-dependent power law scalings in two dimensional gyrokinetic turbulence

Nonlinear gyrokinetics provides a suitable framework to describe short-wavelength turbulence in magnetized laboratory and astrophysical plasmas. In the electrostatic limit, this system is known to exhibit a free energy cascade towards small scales in (perpendicular) real and/or velocity space. The dissipation of free energy is always due to collisions (no matter how weak the collisionality), but may be spread out across a wide range of scales. Here, we focus on freely decaying two dimensional electrostatic turbulence on sub-ion-gyroradius scales. An existing scaling theory for the turbulent cascade in the weakly collisional limit is generalized to the moderately collisional regime. In this context, non-universal power law scalings due to multiscale dissipation are predicted, and this prediction is confirmed by means of direct numerical simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Fast penetration of megagauss fields into metallic conductors

Megagauss magnetic-field penetration into a conducting material is studied via a simplified but representative model, wherein the magnetic-diffusion equation is coupled with a thermal-energy balance. The specific scenario considered is that of a prescribed magnetic field rising (in proportion to an arbitrary power r of time) at the surface of a conducting half-space whose electric conductivity is assumed proportional to an arbitrary inverse power γ of temperature. We employ a systematic asymptotic scheme in which the case of a strong surface field corresponds to a singular asymptotic limit. In this limit, the highly magnetized and hot “skin” terminates at a distinct propagating wave-front. Employing the method of matched asymptotic expansions, we find self-similar solutions of the magnetized region which match a narrow boundary-layer region about the advancing wave front. The rapidly decaying magnetic-field profile in the latter region is also self similar; when scaled by the instantaneous propagation speed, its shape is time-invariant, depending only on the parameter γ. The analysis furnishes a simple asymptotic formula for the skin-depth (i.e., the wave-front position), which substantially generalizes existing approximations. It scales with the power γr + 1∕2 of time and the power γ of field strength, and is much larger than the field-independent skin depth predicted by an athermal model. The formula further involves a dimensionless O(1) pre-factor which depends on r and γ. It is determined by solving a nonlinear eigenvalue problem governing the magnetized region. Another main result of the analysis, apparently unprecedented, is an asymptotic formula for the magnitude of the current-density peak characterizing the wave-front region. Complementary to these systematic results, we provide a closed-form but ad hoc generalization of the theory approximately applicable to arbitrary monotonically rising surface fields. Our results are in excellent agreement with numerical simulations of the model, and compare favourably with detailed magnetohydrodynamic simulations reported in the literature.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Bulk characterization of (U, Pu) mixed carbide fuel for distribution of plutonium

Homogeneous distribution of plutonium in (U, Pu) mixed fuels is important from fuel performance as well as reprocessing point of view. Radiation imaging and assay techniques are employed for the detection of Pu rich agglomerates in the fuel. A simulation study of radiation transport was carried out to analyse the technique of autoradiography so as to estimate the minimum detectability of Pu agglomerates in MC fuel with nominal PuC content of 70% using Monte Carlo simulations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Ion sound instability driven by the ion flows

Ion sound instabilities driven by the ion flow in a system of a finite length are considered by analytical and numerical methods. The ion sound waves are modified by the presence of stationary ion flow resulting in negative and positive energy modes. The instability develops due to coupling of negative and positive energy modes mediated by reflections from the boundary. It is shown that the wave dispersion due to deviation from quasineutrality is crucial for the stability. In finite length system, the dispersion is characterized by the length of the system measured in units of the Debye length. The instability is studied analytically and the results are compared with direct, initial value numerical simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Model and particle-in-cell simulation of ion energy distribution in collisionless sheath

In this paper, we propose a self-consistent theoretical model, which is described by the ion energy distributions (IEDs) in collisionless sheaths, and the analytical results for different combined dc/radio frequency (rf) capacitive coupled plasma discharge cases, including sheath voltage errors analysis, are compared with the results of numerical simulations using a one-dimensional plane-parallel particle-in-cell (PIC) simulation. The IEDs in collisionless sheaths are performed on combination of dc/rf voltage sources electrodes discharge using argon as the process gas. The incident ions on the grounded electrode are separated, according to their different radio frequencies, and dc voltages on a separated electrode, the IEDs, and widths of energy in sheath and the plasma sheath thickness are discussed. The IEDs, the IED widths, and sheath voltages by the theoretical model are investigated and show good agreement with PIC simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Protein search for multiple targets on DNA

Protein-DNA interactions are crucial for all biological processes. One of the most important fundamental aspects of these interactions is the process of protein searching and recognizing specific binding sites on DNA. A large number of experimental and theoretical investigations have been devoted to uncovering the molecular description of these phenomena, but many aspects of the mechanisms of protein search for the targets on DNA remain not well understood. One of the most intriguing problems is the role of multiple targets in protein search dynamics. Using a recently developed theoretical framework we analyze this question in detail. Our method is based on a discrete-state stochastic approach that takes into account most relevant physical-chemical processes and leads to fully analytical description of all dynamic properties. Specifically, systems with two and three targets have been explicitly investigated. It is found that multiple targets in most cases accelerate the search in comparison with a single target situation. However, the acceleration is not always proportional to the number of targets. Surprisingly, there are even situations when it takes longer to find one of the multiple targets in comparison with the single target. It depends on the spatial position of the targets, distances between them, average scanning lengths of protein molecules on DNA, and the total DNA lengths. Physical-chemical explanations of observed results are presented. Our predictions are compared with experimental observations as well as with results from a continuum theory for the protein search. Extensive Monte Carlo computer simulations fully support our theoretical calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗