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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 1,009 records · Page 56
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Numerical solution of the stochastic parabolic equation with the dependent operator coefficient

In the present paper, a single step implicit difference scheme for the numerical solution of the stochastic parabolic equation with the dependent operator coefficient is presented. Theorem on convergence estimates for the solution of this difference scheme is established. In applications, this abstract result permits us to obtain the convergence estimates for the solution of difference schemes for the numerical solution of initial boundary value problems for parabolic equations. The theoretical statements for the solution of this difference scheme are supported by the results of numerical experiments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Investigation of electrochemical migration on Sn-0.7Cu-0.3Ag-0.03P-0.005Ni solder alloy in HNO{sub 3} solution

Current issue in lead-free solder in term of its reliability is still under investigation. This high impact research attempts to investigate the electrochemical migration (ECM) on Sn-0.7Cu-0.3Ag-0.03P-0.005Ni solder alloy by Water Drop Test (WDT) in different concentration of HNO{sub 3} solution. The concentration of HNO{sub 3} solution used in this research was 0.05, 0.10, 0.50 and 1M. Optical Microscope (OM), Field Emission Scanning Electron Microscope (FESEM) and Energy Dispersive X-Ray Analysis (EDX) were carried out in order to analysis the ECM behavior based on the growth of dendrite formation after WDT. In general, the results demonstrated that dendrite growth is faster in higher concentration compared with low concentration of HNO{sub 3}. The concentration of HNO{sub 3} solution used has a strong correlation with Mean-Time-To-Failure (MTTF). As the concentration of HNO{sub 3} increases, the MTTF value decreases. Based on the MTTF results the solder alloy in 1M HNO{sub 3} solution is most susceptible to ECM. SnO{sub 2} forms as a corrosion by-product in the samples proved by EDX analysis. The solder alloy poses a high reliability risk in microelectronic devices during operation in 1M HNO{sub 3} solution.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Ultrafast excited-state deactivation of 9-methylhypoxanthine in aqueous solution: A QM/MM MD study

Photoinduced ultrafast non-adiabatic decay of 9-methylhypoxanthine (9MHPX) in aqueous solution was investigated by ab initio surface-hopping dynamics calculations using a combined quantum mechanical/molecular mechanical approach. The absorption spectra of 9MHPX in aqueous solution were also explored by the hybrid cluster-continuum model at the level of time-dependent density functional theory along with the polarizable continuum model (PCM). The static electronic-structure calculations indicate that the absorption spectra of 9MHPX simulated by TD-B3LYP/PCM and TD-X3LYP/PCM can reproduce very well the experimental findings, with the accuracy of about 0.20 eV. According to dynamics simulations, irradiation of 9MHPX populates the bright excited singlet S{sub 1} state, which may undergo an ultrafast non-radiative deactivation to the S{sub 0} state. The lifetime of the S{sub 1} state of 9MHPX in aqueous solution is predicted to be 115.6 fs, slightly longer than that in the gas phase (88.8 fs), suggesting that the solvent water has no significant influence on the excited-state lifetime of 9MHPX. Such a behavior in 9MHPX is distinctly different from its parent hypoxanthine keto-N9H tautomer in which the excited-state lifetime of the latter in water solution was remarkably enhanced as compared to the gas phase. The significant difference of the photodynamical behaviors between 9MHPX and keto-N9H can be ascribed to their different hydrogen bond environment in aqueous solution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Quantitative interpretation of molecular dynamics simulations for X-ray photoelectron spectroscopy of aqueous solutions

Over the past decade, energy-dependent ambient pressure X-ray photoelectron spectroscopy (XPS) has emerged as a powerful analytical probe of the ion spatial distributions at the vapor (vacuum)-aqueous electrolyte interface. These experiments are often paired with complementary molecular dynamics (MD) simulations in an attempt to provide a complete description of the liquid interface. There is, however, no systematic protocol that permits a straightforward comparison of the two sets of results. XPS is an integrated technique that averages signals from multiple layers in a solution even at the lowest photoelectron kinetic energies routinely employed, whereas MD simulations provide a microscopic layer-by-layer description of the solution composition near the interface. Here, we use the National Institute of Standards and Technology database for the Simulation of Electron Spectra for Surface Analysis (SESSA) to quantitatively interpret atom-density profiles from MD simulations for XPS signal intensities using sodium and potassium iodide solutions as examples. We show that electron inelastic mean free paths calculated from a semi-empirical formula depend strongly on solution composition, varying by up to 30% between pure water and concentrated NaI. The XPS signal thus arises from different information depths in different solutions for a fixed photoelectron kinetic energy. XPS signal intensities are calculated using SESSA as a function of photoelectron kinetic energy (probe depth) and compared with a widely employed ad hoc method. SESSA simulations illustrate the importance of accounting for elastic-scattering events at low photoelectron kinetic energies (<300 eV) where the ad hoc method systematically underestimates the preferential enhancement of anions over cations. Finally, some technical aspects of applying SESSA to liquid interfaces are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

On the onset of secondary flow and unsteady solutions through a loosely coiled rectangular duct for large aspect ratio

The study of flows through coiled ducts and channels has attracted considerable attention not only because of their ample applications in Chemical, Mechanical, Civil, Nuclear and Biomechanical engineering but also because of their ample applications in other areas, such as blood flow in the veins and arteries of human and other animals. In this paper, a numerical study is presented for the fully developed two-dimensional flow of viscous incompressible fluid through a loosely coiled rectangular duct of large aspect ratio. Numerical calculations are carried out by using a spectral method, and covering a wide range of the Dean number, Dn, for two types of curvatures of the duct. The main concern of the present study is to find out effects of curvature as well as formation of secondary vortices on unsteady solutions whether the unsteady flow is steady-state, periodic, multi-periodic or chaotic, if Dn is increased. Time evolution calculations as well as their phase spaces are performed with a view to study the non-linear behavior of the unsteady solutions, and it is found that the steady-state flow turns into chaotic flow through various flow instabilities, if Dn is increased no matter what the curvature is. It is found that the unsteady flow is a steady-state solution for small Dn’s and oscillates periodically or non-periodically (chaotic) between two- and twelve-vortex solutions, if Dn is increased. It is also found that the chaotic solution is weak for small Dn’s but strong as Dn becomes large. Axial flow distribution is also investigated and shown in contour plots.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Novel superposed kinklike and pulselike solutions for several nonlocal nonlinear equations

In this work, we show that a number of nonlocal nonlinear equations, including the Ablowitz–Musslimani and Yang variant of the nonlocal nonlinear Schrödinger (NLS) equation, the nonlocal modified Korteweg de Vries (mKdV) equation, and the nonlocal Hirota equation, admit novel kinklike and pulselike superposed periodic solutions. Furthermore, we show that the nonlocal mKdV equation also admits the superposed (hyperbolic) kink–antikink solution. In addition, we show that while the nonlocal Ablowitz–Musslimani variant of the NLS admits complex parity-time reversal-invariant kink and pulse solutions, neither the local NLS nor the Yang variant of the nonlocal NLS admits such solutions. Finally, except for the Yang variant of the nonlocal NLS, we show that the other three nonlocal equations admit both the kink and pulse solutions in the same model.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Semi-analytic solutions to the Noh problem with a black box EoS

The objective of this paper is to derive a method of constructing semi-analytic solutions to the Noh problem when the equation of state is a black box. Such solutions can be used for verification tests of hydrodynamics codes. We present the underlying theory, the method for finding solutions, and several examples of derived semi-analytic solutions. We end by performing a classic verification convergence test comparing numerical results from a hydrodynamics code against a non-trivial semi-analytic solution.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Polynomial solutions of the Monge-Ampère equation

The question of the existence of polynomial solutions to the Monge-Ampère equation z{sub xx}z{sub yy}−z{sub xy}{sup 2}=f(x,y) is considered in the case when f(x,y) is a polynomial. It is proved that if f is a polynomial of the second degree, which is positive for all values of its arguments and has a positive squared part, then no polynomial solution exists. On the other hand, a solution which is not polynomial but is analytic in the whole of the x, y-plane is produced. Necessary and sufficient conditions for the existence of polynomial solutions of degree up to 4 are found and methods for the construction of such solutions are indicated. An approximation theorem is proved. Bibliography: 10 titles.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

The existence of semiregular solutions to elliptic spectral problems with discontinuous nonlinearities

This paper is concerned with the existence of semiregular solutions to the Dirichlet problem for an equation of elliptic type with discontinuous nonlinearity and when the differential operator is not assumed to be formally self-adjoint. Theorems on the existence of semiregular (positive and negative) solutions for the problem under consideration are given, and a principle of upper and lower solutions giving the existence of semiregular solutions is established. For positive values of the spectral parameter, elliptic spectral problems with discontinuous nonlinearities are shown to have nontrivial semiregular (positive and negative) solutions. Bibliography: 32 titles.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Separable solutions of force-free spheres and applications to solar active regions

We present a systematic study of the force-free field equation for simple axisymmetric configurations in spherical geometry and apply it to the solar active regions. The condition of separability of solutions in the radial and angular variables leads to two classes of solutions: linear and nonlinear force-free fields (NLFF). We have studied these linear solutions and extended the nonlinear solutions for the radial power law index to the irreducible rational form n = p/q, which is allowed for all cases of odd p and cases of q > p for even p, where the poloidal flux ψ∝1/r{sup n} and the field B∝1/r {sup n+2}. We apply these solutions to simulate photospheric vector magnetograms obtained using the spectropolarimeter on board Hinode. The effectiveness of our search strategy is first demonstrated on test inputs of dipolar, axisymmetric, and nonaxisymmetric linear force-free fields. Using the best fit, we build three-dimensional axisymmetric field configurations and calculate the energy and relative helicity with two independent methods, which are in agreement. We have analyzed five magnetograms for AR 10930 spanning a period of three days during which two X-class flares occurred and found the free energy and relative helicity of the active region before and after the flare; our analysis indicates a peak in these quantities before the flare events, which is consistent with the other results. We also analyzed single-polarity regions AR 10923 and 10933, which showed very good fits to potential fields. This method provides useful reconstruction of NLFF and input fields for other numerical techniques.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Cosmological solutions of a nonlocal model with a perfect fluid

A nonlocal gravity model which does not assume the existence of a new dimensional parameter in the action and includes a function f(□{sup −1}R), with □ the d'Alembertian operator, is studied. By specifying an exponential form for the function f and including a matter sector with a constant equation of state parameter, all available power-law solutions in the Jordan frame are obtained. New power-law solutions in the Einstein frame are also probed. Furthermore, the relationship between power-law solutions in both frames, established through conformal transformation, is substantially clarified. The correspondence between power-law solutions in these two frames is proven to be a very useful tool in order to obtain new solutions in the Einstein frame.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Translation invariant time-dependent solutions to massive gravity

Homogeneous time-dependent solutions of massive gravity generalise the plane wave solutions of the linearised Fierz-Pauli equations for a massive spin-two particle, as well as the Kasner solutions of General Relativity. We show that they also allow a clear counting of the degrees of freedom and represent a simplified framework to work out the constraints, the equations of motion and the initial value formulation. We work in the vielbein formulation of massive gravity, find the phase space resulting from the constraints and show that several disconnected sectors of solutions exist some of which are unstable. The initial values determine the sector to which a solution belongs. Classically, the theory is not pathological but quantum mechanically the theory may suffer from instabilities. The latter are not due to an extra ghost-like degree of freedom.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

Phase retrieval using radiation and matter-wave fields: Validity of Teague's method for solution of the transport-of-intensity equation

Although originally developed for coherent paraxial scalar electromagnetic radiation in the visible-light regime, phase retrieval using the transport-of-intensity equation has been successfully applied to a range of paraxial radiation and matter-wave fields. Such applications include using electron wave fields to quantitatively image magnetic skyrmions and spin ices, propagation-based phase-contrast imaging using cold neutrons and hard x-rays, and visible-light refractive imaging of the projected column density of cold-atom clouds. Teague's method for phase retrieval using the transport-of-intensity equation, which renders the phase of a paraxial complex wave indirectly measurable via the existence of a conserved current, has been applied to a broad variety of situations which include all of the experiments described above. However, these applications have been undertaken without a thorough analysis of the underlying validity of the method. Here we derive sufficient conditions for the phase-retrieval solution provided by Teague's method to coincide with the true phase of the paraxial radiation or matter-wave field. We also present a sufficient condition guaranteeing that the discrepancy between the true phase function and that reconstructed using Teague's solution is small. These conditions demonstrate that, in most practical cases, for phase-amplitude retrieval using the transport-of-intensity equation, the Teague solution is very close to the exact solution. However, we also describe a counter example in the context of phase-amplitude retrieval using hard x-rays, in which the relative root-mean-square difference between the exact solution and that obtained using Teague's method is 9%. These findings clarify the foundations of one of the most widely applied methods for propagation-based phase retrieval of both paraxial matter and radiation wave fields and define a region for its applicability.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2010

Slowly rotating black hole solutions to Horava-Lifshitz gravity

We present a new stationary solution to the field equations of Horava-Lifshitz gravity with the detailed balance condition and for any value of the coupling constant {lambda}>1/3. This is the generalization of the corresponding spherically symmetric solution earlier found by Lue, Mei, and Pope to include a small amount of angular momentum. For the relativistic value {lambda}=1, the solution describes slowly rotating AdS type black holes. With a soft violation of the detailed balance condition and for {lambda}=1, we also find such a generalization for the Schwarzschild type black hole solution of the theory. Finally, using the canonical Hamiltonian approach, we calculate the mass and the angular momentum of these solutions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Spherically symmetric solutions in covariant Horava-Lifshitz gravity

We study the most general case of spherically symmetric vacuum solutions in the framework of the covariant Horava-Lifshitz gravity, for an action that includes all possible higher order terms in curvature which are compatible with power-counting normalizability requirement. We find that solutions can be separated into two main classes: (i) solutions with nonzero radial shift function, and (ii) solutions with zero radial shift function. In the case (ii), spherically symmetric solutions are consistent with observations if we adopt the view of Horava and Melby-Tomson [P. Horava and C. M. Melby-Thompson, Phys. Rev. D 82, 064027 (2010).], according to which the auxiliary field A can be considered as a part of an effective general relativistic metric, which is valid only in the IR limit. On the other hand, in the case (i), consistency with observations implies that the field A should be independent of the spacetime geometry, as the Newtonian potential arises from the nonzero radial shift function. Also, our aim in this paper is to discuss and compare these two alternative but different assumptions for the auxiliary field A.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2011

Lovelock solutions in the presence of matter sources

For a large class of space and time-dependent warped geometries we find the general solution of the six-dimensional Einstein-Gauss-Bonnet equations in the presence of p-form matter fields. This is done under two conditions on the matter sector which we show impose the integrability of the full system. Solutions are classified and known black hole limits are found. It is shown that Lovelock gravity restricts drastically the possible horizon geometries and allowed matter sources. In fact, we show that if we allow only for solutions of asymptotically flat falloff behavior, then the only permissible black hole is that of Boulware-Deser with electromagnetic charge. The situation of six-dimensional Lovelock gravity is therefore almost identical to four-dimensional General Relativity. The gravitational horizon constraints lead us to find static solutions involving 3-form matter fields in anti de Sitter space which are also new to General Relativity along with other cosmological and black string type of solutions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2012

EFFECTIVE POROSITY IMPLIES EFFECTIVE BULK DENSITY IN SORBING SOLUTE TRANSPORT

The concept of an effective porosity is widely used in solute transport modeling to account for the presence of a fraction of the medium that effectively does not influence solute migration, apart from taking up space. This non-participating volume or ineffective porosity plays the same role as the gas phase in single-phase liquid unsaturated transport: it increases pore velocity, which is useful towards reproducing observed solute travel times. The prevalent use of the effective porosity concept is reflected by its prominent inclusion in popular texts, e.g., de Marsily (1986), Fetter (1988, 1993) and Zheng and Bennett (2002). The purpose of this commentary is to point out that proper application of the concept for sorbing solutes requires more than simply reducing porosity while leaving other material properties unchanged. More specifically, effective porosity implies the corresponding need for an effective bulk density in a conventional single-porosity model. The reason is that the designated non-participating volume is composed of both solid and fluid phases, both of which must be neglected for consistency. Said another way, if solute does not enter the ineffective porosity then it also cannot contact the adjoining solid. Conceptually neglecting the fluid portion of the non-participating volume leads to a lower (effective) porosity. Likewise, discarding the solid portion of the non-participating volume inherently leads to a lower or effective bulk density. In the author's experience, practitioners virtually never adjust bulk density when adopting the effective porosity approach.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2024

Development of Modified Perturbation Solutions to the One-Phase Stefan Problems With a Convective Boundary

The classical Stefan problem is used to track the moving solid-liquid interface during the freezing process. Perturbation theory has often been applied to find an approximate analytical solution due to the nonlinearity of the moving interface. However, the Stefan number (i.e., the sensible over latent heat) must be small and usually less than 0.01 to assume the perturbation expansion, which in turn limits the thermal engineering applications. In this study, a modified perturbation solution is developed by adding a correction term after the leading-order solution to be valid for a much wider range of Stefan numbers (i.e., 0.01 less than or equal to Ste less than or equal to 1). Specifically, a one-phase Stefan problem is first formulated subjected to a convective boundary in the Cartesian, cylindrical, and spherical coordinate systems for inward solidification. The leading-order solution is calculated based on the regular perturbation theory, while the correction term is obtained using the Monte-Carlo method and a multi-variant regression. Results show that the correction term has a linear relationship with the Stefan number and is not significantly influenced by the Biot number. The proposed modified perturbation solution can accurately and rapidly predict the nonlinear moving interface motion for the freezing process.

DIRECT ENERGY CONVERSION,MATHEMATICS AND COMPUTING↗