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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Weak and Strong Connectivity Regimes for a General Time Elapsed Neuron Network Model

For large fully connected neuron networks, we study the dynamics of homogenous assemblies of interacting neurons described by time elapsed models. Under general assumptions on the firing rate which include the ones made in previous works (Pakdaman et al. in Nonlinearity 23(1):55–75, 2010; SIAM J Appl Math 73(3):1260–1279, 2013, Mischler and Weng in Acta Appl Math, 2015), we establish accurate estimate on the long time behavior of the solutions in the weak and the strong connectivity regime both in the case with and without delay. Our results improve (Pakdaman et al. 2010, 2013) where a less accurate estimate was established and Mischler and Weng (2015) where only smooth firing rates were considered. Our approach combines several arguments introduced in the above previous works as well as a slightly refined version of the Weyl’s and spectral mapping theorems presented in Voigt (Monatsh Math 90(2):153–161, 1980) and Mischler and Scher (Ann Inst H Poincaré Anal Non Linéaire 33(3):849–898, 2016).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

On a Certain First-Order Differential Equation with Delay

We consider the Cauchy problem for a first-order quasilinear differential equation with delayed argument of neutral type, and obtain sufficient conditions of existence and uniqueness of its solutions. Proofs of the solvability of nonlinear problems, estimates of solutions, and constructions of approximate methods are based on Chaplygin-type theorems on differential inequalities.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

An Inverse Factorial Series for a General Gamma Ratio and Related Properties of the Nørlund–Bernoulli Polynomials

The inverse factorial series expansion for the ratio of products of gamma functions whose arguments are linear functions of the variable is found. A recurrence relation for the coefficients in terms of the Nørlund–Bernoulli polynomials is provided, and the half-plane of convergence is determined. The results obtained naturally supplement a number of previous investigations of the gamma ratios, which began in the 1930-ies. The expansion obtained in this paper plays a crucial role in the study of the behavior of the delta-neutral Fox’s H-function in the neighborhood of its finite singular point. A particular case of the inverse factorial series expansion is used in deriving a possibly new identity for the Nørlund–Bernoulli polynomials.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Bicarbonate is a key regulator but not a substrate for O2 evolution in Photosystem II

Abstract Photosystem II (PSII) uses light energy to oxidize water and to reduce plastoquinone in the photosynthetic electron transport chain. O 2 is produced as a byproduct. While most members of the PSII research community agree that O 2 originates from water molecules, alternative hypotheses involving bicarbonate persist in the literature. In this perspective, we provide an overview of the important roles of bicarbonate in regulating PSII activity and assembly. Further, we emphasize that biochemistry, spectroscopy, and structural biology experiments have all failed to detect bicarbonate near the active site of O 2 evolution. While thermodynamic arguments for oxygen-centered bicarbonate oxidation are valid, the claim that bicarbonate is a substrate for photosynthetic O 2 evolution is challenged.

Vinyard, David J.↗
DOE OSTI2018

On the Pressure of a Neutron Gas Interacting with the Non-Uniform Magnetic Field of a Neutron Star

On the basis of simple arguments, practically not going beyond the scope of an undergraduate course in general physics, we estimate the additional pressure (at zero temperature) of degenerate neutron matter due to its interaction with the non-uniform magnetic field of a neutron star. This work has methodological and possibly scientific value as an intuitive application of the content of such a course to a solution of topical problems of astrophysics.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

Characteristics of a Two-Dimensional Hydrogen-like Atom

Using the customary and well-known representation of the radiation probability of a hydrogen-like atom in the three-dimensional case, a general expression for the probability of single-photon emission of a twodimensional atom has been obtained along with an expression for the particular case of the transition from the first excited state to the ground state, in the latter case in comparison with corresponding expressions for the three-dimensional atom and the one-dimensional atom. Arguments are presented in support of the claim that this method of calculation gives a value of the probability that is identical to the value given by exact methods of QED extended to the subspace {0, 1, 2}. Relativistic corrections ~ (Zα){sup 4} to the usual Schrödinger value of the energy (~ (Zα){sup 2}) are also discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Data free inference with processed data products

Here, we consider the context of probabilistic inference of model parameters given error bars or confidence intervals on model output values, when the data is unavailable. We introduce a class of algorithms in a Bayesian framework, relying on maximum entropy arguments and approximate Bayesian computation methods, to generate consistent data with the given summary statistics. Once we obtain consistent data sets, we pool the respective posteriors, to arrive at a single, averaged density on the parameters. This approach allows us to perform accurate forward uncertainty propagation consistent with the reported statistics.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

On the Strong Convergence of Forward-Backward Splitting in Reconstructing Jointly Sparse Signals

We consider the problem of reconstructing an infinite set of sparse, finite-dimensional vectors, that share a common sparsity pattern, from incomplete measurements. This is in contrast to the work (Daubechies et al., Pure Appl. Math. 57(11), 1413–1457, 2004), where the single vector signal can be infinite-dimensional, and (Fornasier and Rauhut, SIAM J. Numer. Anal. 46(2), 577613, 2008), which extends the aforementioned work to the joint sparse recovery of finite number of infinite-dimensional vectors. In our case, to take account of the joint sparsity and promote the coupling of nonvanishing components, we employ a convex relaxation approach with mixed norm penalty ℓ 2,1 . This paper discusses the computation of the solutions of linear inverse problems with such relaxation by a forward-backward splitting algorithm. However, since the solution matrix possesses infinitely many columns, the arguments of Daubechies et al. (Pure Appl. Math. 57(11), 1413–1457, 2004) no longer apply. As such, we establish new strong convergence results for the algorithm, in particular when the set of jointly sparse vectors is infinite.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

An agent-based model of the observed distribution of wealth in the United States

Pareto cautiously asserted that the wealth and income distributions which bear his name are universal, basing his argument on observations of this distribution in many different types of economies. In this paper, we present an agent based model (and a scalable approximation of it) in a closely related spirit. The central feature of this model is that wealth enables an individual to secure more wealth. Specifically, the important and novel feature of this model is its ability to simultaneously produce both the Pareto distribution observed in empirical data for the top 10% of the population and the exponential distribution observed for the lower 90%. We show that the model produces these distributions of wealth when initialized with an equitable distribution. Then, using historical data, we initialize the model with US wealth shares in 1988 and show that the model tracks wealth share changes from 1988 to 2012. Simulations to 2088 project that the top 0.01% of the population will possess more than 70% of the total wealth in the economy.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Importance of proper renormalization scale-setting for QCD testing at colliders

A primary problem affecting perturbative quantum chromodynamic (pQCD) analyses is the lack of a method for setting the QCD running-coupling renormalization scale such that maximally precise fixed-order predictions for physical observables are obtained. The Principle of Maximum Conformality (PMC) eliminates the ambiguities associated with the conventional renormalization scale-setting procedure, yielding predictions that are independent of the choice of renormalization scheme. The QCD coupling scales and the effective number of quark flavors are set order-by-order in the pQCD series. The PMC has a solid theoretical foundation, satisfying the standard renormalization group invariance condition and all of the self-consistency conditions derived from the renormalization group. The PMC scales at each order are obtained by shifting the arguments of the strong force coupling constant αs to eliminate all non-conformal {βi} terms in the pQCD series. The {βi} terms are determined from renormalization group equations without ambiguity. The correct behavior of the running coupling at each order and at each phase-space point can then be obtained. The PMC reduces in the N C → 0 Abelian limit to the Gell-Mann-Low method. In this brief report, we summarize the results of our recent application of the PMC to a number of collider processes, emphasizing the generality and applicability of this approach. A discussion of hadronic Z decays shows that, by applying the PMC, one can achieve accurate predictions for the total and separate decay widths at each order without scale ambiguities. We also show that, if one employs the PMC to determine the top-quark pair forward-backward asymmetry at the next-to-next-to-leading order level, one obtains a comprehensive, self-consistent pQCD explanation for the Tevatron measurements of the asymmetry. This accounts for the “increasing-decreasing” behavior observed by the D0 collaboration for increasing tt¯ invariant mass. At lower energies, the angular distributions of heavy quarks can be used to obtain a direct determination of the heavy quark potential. A discussion of the angular distributions of massive quarks and leptons is also presented, including the fermionic component of the two-loop corrections to the electromagnetic form factors. Furthermore, these results demonstrate that the application of the PMC systematically eliminates a major theoretical uncertainty for pQCD predictions, thus increasing collider sensitivity to possible new physics beyond the Standard Model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Influence of Particle Size on Apparent Diffusivity During Spark Plasma Sintering of Crystalline Powders

Abstract:: A theoretical framework is presented to determine an apparent diffusivity D during powder sintering and further elucidate the underlying interrelation between D and shrinkage behaviors of powders. Furthermore, to eliminate the influence of crystalline defects that are typically present in raw powders, complete crystallization of metallic glass powders is performed to allow the investigation of the influence of particle size solely on powder densification. Furthermore, to validate the framework developed, Ti{sub 40.6}Zr{sub 9.4}Cu{sub 37.5}Ni{sub 9.4}Sn{sub 3.1} crystalline alloy powders constituting particles with different sizes are examined to establish a correlation between D and the sintering behaviors of the powders. The findings show that the value of the apparent diffusivity D increases with the increasing particle size, which accelerates powder densification during spark plasma sintering. Furthermore, the results quantitatively support the argument that particle size can affect atomic diffusion during powder sintering.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Multiscale Modeling Meets Machine Learning: What Can We Learn?

Machine learning is increasingly recognized as a promising technology in the biological, biomedical, and behavioral sciences. There can be no argument that this technique is incredibly successful in image recognition with immediate applications in diagnostics including electrophysiology, radiology, or pathology, where we have access to massive amounts of annotated data. However, machine learning often performs poorly in prognosis, especially when dealing with sparse data. This is a field where classical physics-based simulation seems to remain irreplaceable. In this review, we identify areas in the biomedical sciences where machine learning and multiscale modeling can mutually benefit from one another: Machine learning can integrate physics-based knowledge in the form of governing equations, boundary conditions, or constraints to manage ill-posted problems and robustly handle sparse and noisy data; multiscale modeling can integrate machine learn- ing to create surrogate models, identify system dynamics and parameters, analyze sensitivities, and quantify uncertainty to bridge the scales and understand the emergence of function. With a view towards applications in the life sciences, we discuss the state of the art of combining machine learning and multiscale modeling, identify applications and opportunities, raise open questions, and address potential challenges and limitations. We anticipate that it will stimulate discussion within the community of computational mechanics and reach out to other disciplines including mathematics, statistics, computer science, artificial intelligence, biomedicine, systems biology, and precision medicine to join forces towards creating robust and efficient models for biological systems.

machine learning, multiscale modeling, physics-bas↗
DOE OSTI2022

Ending the Energy-Poverty Nexus: An Ethical Imperative for Just Transitions

Arguments for a just transition are integral to debates about climate change and the drive to create a carbon-neutral economy. There are currently two broad approaches rooted in ethics and justice for framing just energy transitions. The first can be described as internal to the transition and emphasizes the anticipation, assessment, and redressing of harms created by the transition itself and the inclusion in transition governance of groups or communities potentially harmed by its disruptions. In this article, we propose a second approach to ethics and justice in an energy transition, which we describe as systemic or societal in scope. This approach complements attention to the proximate dynamics and impacts of the transition process with a focus on the distant societal and economic outcomes the transition brings into being and how they compare to conditions prior to the transition. It poses the question: do the transformative social, economic, and technological changes wrought by energy systems create more just societies and economies, or do they instead reinforce or recreate long-standing injustices and inequalities? We illustrate this approach with an assessment of one of the most significant existing forms of energy injustice: the energy-poverty nexus. We argue that the energy-poverty nexus reflects configurations of socio-energy systems that create complex, extractive feedbacks between energy insecurity and economic insecurity and, over time, reinforce or exacerbate poverty. We further argue that just energy transitions should work to disentangle these configurations and re-design them so as to create generative rather than extractive feedbacks, thus ending the energy-poverty nexus and creating long-term outcomes that are more just, equitable, and fair.

14 SOLAR ENERGY↗
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 OSTI2017

Deformation response of AgCu interfaces investigated by in situ and ex situ TEM straining and MD simulations

The mechanisms of strain transfer across Ag/Cu interfaces were determined by a combination of in situ and ex situ TEM straining experiments and molecular dynamics simulations. Minimizing the magnitude of the Burgers vector of the residual dislocation generated in the interface was the dominant factor for determining the outcome of dislocation and deformation twin interactions with both non-coherent twin and cube-on-cube interfaces. This included the unexpected finding, due to the loading condition, of deformation twin activation in the Cu layer due to the intersection of deformation twins in Ag with the interface. As a result, deformation twin nucleation in Ag from the non-coherent twin interfaces was also explained by a Burgers vector minimization argument.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Stress-induced microcrack density evolution in β-eucryptite ceramics: Experimental observations and possible route to strain hardening

In order to investigate their microcracking behaviour, the microstructures of several β-eucryptite ceramics, obtained from glass precursor and cerammed to yield different grain sizes and microcrack densities, were characterized by laboratory and synchrotron x-ray refraction and tomography. Here, results were compared with those obtained from scanning electron microscopy (SEM). In SEM images, the characterized materials appeared fully dense but computed tomography showed the presence of pore clusters. Uniaxial tensile testing was performed on specimens while strain maps were recorded and analyzed by Digital Image Correlation (DIC). X-ray refraction techniques were applied on specimens before and after tensile testing to measure the amount of the internal specific surface (i.e., area per unit volume). X-ray refraction revealed that (a) the small grain size (SGS) material contained a large specific surface, originating from the grain boundaries and the interfaces of TiO 2 precipitates; (b) the medium (MGS) and large grain size (LGS) materials possessed higher amounts of specific surface compared to SGS material due to microcracks, which decreased after tensile loading; (c) the precursor glass had negligible internal surface. The unexpected decrease in the internal surface of MGS and LGS after tensile testing is explained by the presence of compressive regions in the DIC strain maps and further by theoretical arguments. It is suggested that while some microcracks merge via propagation, more close mechanically, thereby explaining the observed X-ray refraction results. Lastly, the mechanisms proposed would allow the development of a strain hardening route in ceramics.

36 MATERIALS SCIENCE↗