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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 1,405 records · Page 78
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Tuning the melting point and phase stability of rare-earth oxides to facilitate their crystal growth from the melt

The challenge of growing rare-earth (RE) sesquioxide crystals can be overcome by tailoring their structural stability and melting point via composition engineering. This work contributes to the advancement of the field of crystal growth of high-entropy oxides. A compound with only small REs (Lu,Y,Ho,Yb,Er) 2 O 3 maintains a cubic C-type structure upon cooling from the melt, as observed via in-situ high-temperature neutron diffraction on aerodynamically levitated samples. On the other hand, a compound with a mixture of small and large REs (Lu,Y,Ho,Nd,La) 2 O 3 crystallizes as a mixture of a primary C-type phase with an unstable secondary phase. Crystals of compositions (Lu,Y,Ho,Nd,La) 2 O 3 and (Lu,Y,Gd,Nd,La) 2 O 3 were grown by the micro-pulling-down (mPD) method with a single monoclinic B-type phase, while a powder of (Lu,Y,Ho,Yb,Er) 2 O 3 did not melt at the maximum operating temperature of an iridium-rhenium crucible. The minimization of the melting point of the two grown crystals is attributed to the mismatch in cation sizes. The electron probe microanalysis reveals that the general element segregation behavior in the crystals depends on the composition.

36 MATERIALS SCIENCE↗
DOE OSTI2018

A class of customized proximal point algorithms for linearly constrained convex optimization

In this paper, we propose a class of customized proximal point algorithms for linearly constrained convex optimization problems. The algorithms are implementable, provided that the proximal operator of the objective function is easy to evaluate. We show that, with special setting of the algorithmic scalar, our algorithms contain the customized proximal point algorithm (He et al., Optim Appl 56:559–572, 2013), the linearized augmented Lagrangian method (Yang and Yuan, Math Comput 82:301–329, 2013), the Bregman Operator Splitting algorithm (Zhang et al., SIAM J Imaging Sci 3:253–276, 2010) as special cases. The global convergence and worst-case convergence rate measured by the iteration complexity are established for the proposed algorithms. Numerical results demonstrate that the algorithms work well for a wide range of the scalar.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

A O(1/k{sup 3/2}) hybrid proximal extragradient primal–dual interior point method for nonlinear monotone mixed complementarity problems

We present a Newton-type hybrid proximal extragradient primal–dual interior point method for solving smooth monotone mixed complementarity problems. Dual variables for the nonnegativity constraints are introduced. The ergodic complexity of the method is O(1/k{sup 3/2}). The method performs two types of iterations: underelaxed hybrid proximal extragradient iterations and short-steps primal–dual interior point iterations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

On split inclusion problem and fixed point problem for multi-valued mappings

Many of the iterative schemes for solving split inclusion and fixed point problems involve step-sizes that depend on the norm of a bounded linear operator. The implementation of such algorithms are usually difficult to handle. This is because they require the computation of the operator norm. In this paper, we propose an algorithm involving a step-size selected in such a way that its implementation does not require the computation or an estimate of some spectral radius. Using our algorithm we proved strong convergence theorem for split inclusion problem and fixed point problem for multi-valued quasi-nonexpansive mappings in real Hilbert spaces. Our result generalizes some important and recent results in the literature. Some applications of our main result to game theory and variational inequality problem are also presented.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Determining the memory kernel from a fixed point measurement data for a parabolic equation with memory effect

We consider an inverse problem for a parabolic equation with memory effect. This inverse problem aims to identify the memory kernel function from a fixed point measurement data. Based on the fixed point arguments, we derive the global in time existence and uniqueness of our inverse problem. Moreover, we present a numerical algorithm to reconstruct the memory kernel function. Numerical simulations show the effectiveness of the proposed method.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

A low-order block preconditioner for saddle point linear systems

A preconditioner is proposed for the large and sparse linear saddle point problems, which is based on a low-order three-by-three block saddle point form. The eigenvalue distribution and an upper bound of the degree of the minimal polynomial for the preconditioned matrix are discussed. Numerical results show that the optimal convergence behavior can be achieved when the new preconditioner is used to accelerate the convergence rate of Krylov subspace methods such as GMRES.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Generalized trigonometric Fourier-series method with automatic time step control for non-linear point kinetics equations

The trigonometric Fourier-series method (TFS) is generalized to provide approximate solutions for non-linear point kinetics equations with feedback using varying step sizes. This method can provide a very stable solution against the size of the discrete time step allowing much larger step sizes to be used. Systems of the point kinetics equations are solved using Fourier-series expansion over a partition of the total time interval. The approximate solution requires determining the series coefficients over each time step in that partition. These coefficients are determined using the high-order derivatives of the solution vector at the beginning of the time step introducing a system of linear algebraic equations to be solved at each step. This system is similar to the Vandermonde system. Two successive orders of the partial sums are used to estimate the local truncation error. This error and some other constrains are used to produce the largest step size allowable at each step while keeping the error within a specific tolerance. The process of calculating suitable step sizes should be automatic and inexpensive. Convergence and stability of the proposed method are discussed and a new formula is introduced to maintain stability. The proposed method solves the general linear and non-linear kinetics problems. The method has been applied to five different types of reactivities including step/ramp insertions with temperature feedback. The method is seemed to be valid for larger time intervals than those used in the conventional numerical integration, and is thus useful in reducing computing time. Computational results are found to be consistent with the analysis, they demonstrate that the convergence of the iteration scheme can be accelerated and the resulting computing times can be greatly reduced while maintain computational accuracy.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

GSTS-Uzawa method for a class of complex singular saddle point problems

In this paper, we propose GSTS–Uzawa method for solving a class of complex singular saddle point problems based on generalized skew-Hermitian triangular splitting (GSTS) iteration method and classical Uzawa method. We research on its semi-convergence properties and the eigenvalues distributions of its preconditioned matrix. The resulting GSTS–Uzawa preconditioner is used to precondition Krylov subspace methods such as the restarted generalized minimal residual (GMRES) method for solving the equivalent formulation of the complex singular saddle point problems. The theoretical results and effectiveness of the GSTS–Uzawa method are supported by a numerical example.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2013

Solvable model of quantum phase transitions and the symbolic-manipulation-based study of its multiply degenerate exceptional points and of their unfolding

It is known that the practical use of non-Hermitian (i.e., typically, PT-symmetric) phenomenological quantum Hamiltonians H≠H{sup †} requires an efficient reconstruction of an ad hoc Hilbert-space metric Θ=Θ(H) which would render the time-evolution unitary. Once one considers just the N-dimensional matrix toy models H=H{sup (N)}, the matrix elements of Θ(H) may be defined via a coupled set of N{sup 2} polynomial equations. Their solution is a typical task for computer-assisted symbolic manipulations. The feasibility of such a model-completion construction is illustrated here via a discrete square well model H=p{sup 2}+V endowed with a k-parametric close-to-the-boundary interaction V. The model is shown to possess (possibly, multiply degenerate) exceptional points marking the phase transitions which are attributable, due to the exact solvability of the model at any N<∞, to the loss of the regularity of the metric. In the parameter-dependence of the energy spectrum near these singularities one encounters a broad variety of alternative, topologically non-equivalent scenarios. -- Highlights: •New elementary non-Hermitian quantum Hamiltonians with real spectra proposed. •Exceptional points found and studied. •Non-equivalent stability-loss patterns of phase transition identified. •Hermitization matrices of metrics Θ constructed via symbolic manipulations and extrapolations at all N and k.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

From Bessel beam to complex-source-point cylindrical wave-function

This investigation shows that a scalar Bessel beam can be transformed into the non-paraxial complex-source-point cylindrical wave (CSPCW). High-order CSPCW solutions, termed here high-order quasi-Gaussian cylindrical beams, which exactly satisfy the Helmholtz equation, are derived analytically. Moreover, partial-derivatives of the high-order CSPCW solutions satisfy the Helmholtz equation. In addition, the CSPCW solutions satisfy the nonrelativistic Schrödinger equation within standard quantum mechanics, thus, the results can be used in the description of elementary particle/matter motion and related applications in quantum scattering theory. Furthermore, the analysis is extended to the case of vector beams in which the components of the electromagnetic (EM) field are obtained based on different polarizations of the magnetic and electric vector potentials, which exactly satisfy Maxwell’s vectorial equations and Lorenz’ gauge condition. An attractive feature of the high-order solutions is the rigorous description of strongly focused (or strongly divergent) cylindrical wave-fields without any approximations, nor the need for numerical methods. Possible applications are in beam-forming design using high-aperture or collimated cylindrical laser/electron quasi-Gaussian beams in imaging microscopy, particle manipulation, optical tweezers, and the study of the scattering, and radiation forces on objects. - Highlights: • Bessel beam is transformed into the non-paraxial cylindrical complex-source-point. • Exact high-order tightly focused solutions are derived without any approximations. • The exact solutions also satisfy the nonrelativistic Schrödinger equation. • Electromagnetic beams are obtained as solutions of Maxwell’s vectorial equations. • Applications are in laser/electron beam imaging, tweezers, and radiation force.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Is zero-point energy physical? A toy model for Casimir-like effect

Zero-point energy is generally known to be unphysical. Casimir effect, however, is often presented as a counterexample, giving rise to a conceptual confusion. To resolve the confusion we study foundational aspects of Casimir effect at a qualitative level, but also at a quantitative level within a simple toy model with only 3 degrees of freedom. In particular, we point out that Casimir vacuum is not a state without photons, and not a ground state for a Hamiltonian that can describe Casimir force. Instead, Casimir vacuum can be related to the photon vacuum by a non-trivial Bogoliubov transformation, and it is a ground state only for an effective Hamiltonian describing Casimir plates at a fixed distance. At the fundamental microscopic level, Casimir force is best viewed as a manifestation of van der Waals forces. - Highlights: • A toy model for Casimir-like effect with only 3 degrees of freedom is constructed. • Casimir vacuum can be related to the photon vacuum by a non-trivial Bogoliubov transformation. • Casimir vacuum is a ground state only for an effective Hamiltonian describing Casimir plates at a fixed distance. • At the fundamental microscopic level, Casimir force is best viewed as a manifestation of van der Waals forces.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Quantum phases for point-like charged particles and for electrically neutral dipoles in an electromagnetic field

We point out that the known quantum phases for an electric/magnetic dipole moving in an electromagnetic (EM) field must be presented as the superposition of more fundamental quantum phases emerging for elementary charges. Using this idea, we find two new fundamental quantum phases for point-like charges, next to the known electric and magnetic Aharonov–Bohm (A–B) phases, named by us as the complementary electric and magnetic phases, correspondingly. We further demonstrate that these new phases can indeed be derived via the Schrödinger equation for a particle in an EM field, where however the operator of momentum is re-defined via the replacement of the canonical momentum of particle by the sum of its mechanical momentum and interactional field momentum for a system “charged particle and a macroscopic source of EM field”. The implications of the obtained results are discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

(Anti-)de Sitter, Poincaré, Super symmetries, and the two Dirac points of graphene

We propose two different high-energy-theory correspondences with graphene (and related materials) scenarios, associated to grain boundaries, that are topological defects for which both Dirac points are necessary. The first correspondence points to a (3+1)-dimensional theory, with nonzero torsion, with spatiotemporal gauge group SO(3,1), locally isomorphic to the Lorentz group in (3+1) dimensions, or to the de Sitter group in (2+1) dimensions. The other correspondence treats the two Dirac fields as an internal symmetry doublet, and it is linked here with unconventional supersymmetry with SU(2) internal symmetry. Our results are suggestive, rather than conclusive, and pave the way to the inclusion of grain boundaries in the emergent field theory picture associated with these materials, whereas disclinations and dislocations have been already well explored.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Mobile sensing of point-source gas emissions using Bayesian inference: An empirical examination of the likelihood function

This paper evaluates likelihood function forms for Bayesian inference of point-source gas emissions using a mobile sensor. Whereas Bayesian inference has been successfully used to estimate emission rates from time-averaged concentration data measured by stationary sensors, data collected by mobile sensors do not represent ensemble or time-averaged conditions. To examine the potential impact of this contrast, controlled release experiments were conducted with a mobile sensor measuring concentrations repeatedly along transverse cross sections of the downwind plumes. Experiments were conducted with measurements made at different downwind distances, different sensor heights, and with different obstacle states. An examination is made between two commonly-used likelihood functions, the Gaussian and the log-normal. For experiments conducted in the absence of obstacles, the Bayesian estimates using the log-normal likelihood function yield a much smaller bias than those based on the Gaussian likelihood function. This finding is consistent with the non-Gaussian nature of concentration fluctuations near a point-source. For experiments conducted in the presence of obstacles, the Bayesian inference based on the Gaussian likelihood function exhibits a better performance. This can be explained by the enhanced turbulent mixing due to the obstacle-introduced wake eddies. Overall, we find that the selection of the likelihood function can be physically related to the underlying conditions, and the proper selection is critical to ensure the performance of the Bayesian inference for source characterization using mobile sensing data.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Saddle point sampling using scaled normal coordinates

The sampling of saddle points (SPs) on a potential energy surface (PES) is critical for describing the dynamics and transport properties of materials. In this paper we propose a saddle point search (SPS) method that enables efficient sampling of practically meaningful SPs around a local minimum by converting the PES to the scaled normal coordinates (SNCs), together with the dimer method. We find that the pathway leading to a SP using SNCs is highly efficient and is independent of the system size. This results in the significantly increased SPS efficiency and the enhanced possibility of a complete catalog of the SPs. In addition, we perform SPSs using the SNCs for the diffusion of a vacancy and a dumbbell in body-centered cubic Fe and demonstrate (1) the required number of system force evaluations for a SPS decreases by at least an order of magnitude, (2) the effects of the system size on the number of force evaluations are greatly decreased, and (3) the effects of the number of atoms involved in the SPS on the probability of finding practically meaningful SPs is mostly eliminated. We also discuss the computational cost of introducing the SNCs. It should be highlighted that the SNCs could also be applied to other minimum-mode following methods, demonstrating the general versatility of the proposed method.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Composite laminate failure parameter optimization through four-point flexure experimentation and analysis

Fiber-reinforced composite materials offer light-weight solutions to many structural challenges. In the development of high-performance composite structures, a thorough understanding is required of the composite materials themselves as well as methods for the analysis and failure prediction of the relevant composite structures. However, the mechanical properties required for the complete constitutive definition of a composite material can be difficult to determine through experimentation. Therefore, efficient methods are necessary that can be used to determine which properties are relevant to the analysis of a specific structure and to establish a structure's response to a material parameter that can only be defined through estimation. The objectives of this paper deal with demonstrating the potential value of sensitivity and uncertainty quantification techniques during the failure analysis of loaded composite structures; and the proposed methods are applied to the simulation of the four-point flexural characterization of a carbon fiber composite material. Utilizing a recently implemented, phenomenological orthotropic material model that is capable of predicting progressive composite damage and failure, a sensitivity analysis is completed to establish which material parameters are truly relevant to a simulation's outcome. Then, a parameter study is completed to determine the effect of the relevant material properties' expected variations on the simulated four-point flexural behavior as well as to determine the value of an unknown material property. This process demonstrates the ability to formulate accurate predictions in the absence of a rigorous material characterization effort. Finally, the presented results indicate that a sensitivity analysis and parameter study can be used to streamline the material definition process as the described flexural characterization was used for model validation.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Self-healing carbon fiber/epoxy laminates with particulate interlayers of a low-melting-point alloy

In order to prolong the service life of fiber-reinforced polymer composites, the implementation of self-healing ability with the micro-encapsulated healing agent has been extensively studied. However, such microcapsule-based self-healing composites typically suffer from degraded mechanical properties due to the liquid-phase inclusions, thereby limiting their proliferation. Here, in this study, a low-melting-point alloy is utilized as the particulate inclusions of carbon fiber/epoxy laminated composites. Field's Metal particles (melting point: 62 °C) are distributed between woven carbon fiber preforms followed by the resin impregnation to realize laminated composites with a Field's Metal-enhanced interlayer(s). The resulting laminated composites demonstrate the autonomic repair of interlaminar failure with a 40 % of healing efficiency. Most of all, the mechanical properties of these self-healing laminated composites are comparable to the conventional laminated composites attributed to the rigid inclusions that can be compressed to increase the fiber volume. Since the Field's Metal particle inclusions can bestow polymer composites with self-healing ability and the potential increase in mechanical properties, Field's Metal-enhanced fiber-reinforced polymer composites are expected to unlock the practical utility of self-healing composites.

A. polymer-matrix composites (PMCs)↗
DOE OSTI2023

Lower and upper threshold limit for artificial neural network based chilled and condenser water temperatures set-point control in a chilled water system

In this study, an ANN (artificial neural network) based real-time optimized control algorithm for a chilled water cooling system was developed and applied in an actual building to analyze its cooling energy saving effects through in-situ application and actual measurements. For this purpose, the cooling tower’s CndWT (condenser water temperature) and the chiller’s ChWT (chilled water temperature) were set as system control variables. To evaluate algorithm performance, the electric consumption and the COP (coefficient of performance) were compared and analyzed when ChWT and CndWTs were controlled conventionally and controlled based on the ANN. During the analysis, unexpected abnormal data was observed due to insufficient training data and limited consideration of OWBT (outdoor air wet-bulb temperature) when determining the CndWT set-point. Therefore, it is necessary to further build training data from a wider range of conditions and to set the lower limit of CndWT set-point to at least +3.6 °C above OWBT when the OWBT is higher than 23 °C, so that further energy savings can be achieved.

42 ENGINEERING↗