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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Resurgent transseries & Dyson–Schwinger equations

We employ resurgent transseries as algebraic tools to investigate two self-consistent Dyson–Schwinger equations, one in Yukawa theory and one in quantum electrodynamics. After a brief but pedagogical review, we derive fixed point equations for the associated anomalous dimensions and insert a moderately generic log-free transseries ansatz to study the possible strictures imposed. While proceeding in various stages, we develop an algebraic method to keep track of the transseries’ coefficients. We explore what conditions must be violated in order to stay clear of fixed point theorems to eschew a unique solution, if so desired, as we explain. An interesting finding is that the flow of data between the different sectors of the transseries shows a pattern typical of resurgence, i.e. the phenomenon that the perturbative sector of the transseries talks to the nonperturbative ones in a one-way fashion. However, our ansatz is not exotic enough as it leads to trivial solutions with vanishing nonperturbative sectors, even when logarithmic monomials are included. We see our result as a harbinger of what future work might reveal about the transseries representations of observables in fully renormalised four-dimensional quantum field theories and adduce a tentative yet to our mind weighty argument as to why one should not expect otherwise. This paper is considerably self-contained. Readers with little prior knowledge are let in on the basic reasons why perturbative series in quantum field theory eventually require an upgrade to transseries. Furthermore, in order to acquaint the reader with the language utilised extensively in this work, we also provide a concise mathematical introduction to grid-based transseries.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Qubit assisted enhancement of quantum correlations in an optomechanical system

We perform a theoretical study on quantum correlations in an optomechanical system where the mechanical mirror is perturbatively coupled to an auxiliary qubit. In our study, we consider logarithmic negativity to quantify the degree of stationary entanglement between the cavity field and mechanical mirror, and, Gaussian quantum discord as a witness of the quantumness of the correlation beyond entanglement. Utilizing experimentally feasible parameters, we show that both entanglement and quantum discord enhance significantly with increase in mirror–qubit coupling. Moreover, we find that in presence of the mirror–qubit coupling entanglement could be generated at a considerably lower optomechanical coupling strength, which is also extremely robust against the environmental temperature. Overall, our proposed scheme offers some considerable advantages for realizing the continuous-variable quantum information and communication.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Higher order corrected thermodynamics and statistics of Kerr–Newman–Gödel black hole

In this paper, we consider the rotating charged Gödel black hole and study the effect of the higher order corrections of the entropy on the thermodynamics and statistics quantities of the Kerr–Newman–Gödel black hole. The leading order correction is logarithmic while higher-order terms are proportional to the inverse of the area of the black hole. We obtain modified thermodynamics and statistics and find that correction terms are important in the stability of the black hole.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Fermi surface volume of interacting systems

Three Fermion sumrules for interacting systems are derived at T=0, involving the number expectation N-bar (μ), canonical chemical potentials μ(m), a logarithmic time derivative of the Greens function γ{sub k-vector σ} and the static Greens function. In essence we establish at zero temperature the sumrules linking: N-bar (μ)↔∑{sub m}Θ(μ−μ(m))↔∑{sub k-vector ,σ}Θ(γ{sub k-vector σ})↔∑{sub k-vector ,σ}Θ(G{sub σ}( k-vector ,0)). Connecting them across leads to the Luttinger and Ward sumrule, originally proved perturbatively for Fermi liquids. Our sumrules are nonperturbative in character and valid in a considerably broader setting that additionally includes non-canonical Fermions and Tomonaga–Luttinger models. Generalizations are given for singlet-paired superconductors, where one of the sumrules requires a testable assumption of particle–hole symmetry at all couplings. The sumrules are found by requiring a continuous evolution from the Fermi gas, and by assuming a monotonic increase of μ(m) with particle number m. At finite T a pseudo-Fermi surface, accessible to angle resolved photoemission, is defined using the zero crossings of the first frequency moment of a weighted spectral function.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Reaction and diffusion at the reservoir/shale interface during CO 2 storage: Impact of geochemical kinetics

Here we use a reactive diffusion model to investigate what happens to CO 2 injected into a subsurface sandstone reservoir capped by a chlorite- and illite-containing shale seal. The calculations simulate reaction and transport of supercritical (SC) CO 2 at 348.15 K and 30 MPa up to 20,000 a. Given the low shale porosity (5%), chemical reactions mostly occurred in the sandstone for the first 2000 a with some precipitation at the ss/sh interface. From 2000 to 4000 a, ankerite, dolomite and illite began replacing Mg–Fe chlorite at the sandstone/shale interface. Transformation of chlorite to ankerite is the dominant reaction occluding the shale porosity in most simulations: from 4000 to 7500 a, this carbonation seals the reservoir and terminates reaction. Overall, the carbonates (calcite, ankerite, dolomite), chlorite and goethite all remain close to local chemical equilibrium with brine. Quartz is almost inert from the point of its dissolution/precipitation. However, the rate of quartz reaction controls the long-term decline in aqueous silica activity and its evolution toward equilibrium. The reactions of feldspars and clays depend strongly on their reaction rate constants (microcline is closer to local equilibrium than albite). The timing of porosity occlusion mostly therefore depends on the kinetic constants of kaolinite and illite. For example, an increase in the kaolinite kinetic constant by 0.25 logarithmic units hastened porosity closure by 4300 a. The earliest simulated closure of porosity occurred at approximately 108 a for simulations designed as sensitivity tests for the rate constants. These simulations also emphasize that the rate of CO 2 immobilization as aqueous bicarbonate (solubility trapping) or as carbonate minerals (mineral trapping) in sandstone reservoirs depends upon reaction kinetics – but the relative fraction of each trapped CO 2 species only depends upon the initial chemical composition of the host sandstone. For example, at the point of porosity occlusion the fraction of bicarbonate remaining in solution depends upon the initial Na and K content in the host rock but the fraction of carbonate mineralization depends only on the Ca, Mg, Fe content. Since ankerite is the dominant mineral that occludes porosity, the dissolved concentration of ferrous iron is also an important parameter. Finally, future efforts should focus on cross-comparisons and ground-truthing of simulations made for standard case studies as well as laboratory measurements of the reactivities of clay minerals.

58 GEOSCIENCES↗
DOE OSTI2022

Quantifying biofilm propagation on chemically modified surfaces

Conditions affecting biofilm formation differ among bacterial species and this presents a challenge to studying biofilms in the lab. This work leverages functionalized silanes to control surface chemistry in the study of early biofilm propagation, quantified with a semi-automated image processing algorithm. These methods support the study of Pantoea sp. YR343, a gram-negative bacterium isolated from the poplar rhizosphere. We found that Pantoea sp. YR343 does not readily attach to hydrophilic surfaces but will form biofilms with a “honeycomb” morphology on hydrophobic surfaces. Our image processing algorithm described here quantified the evolution of the honeycomb morphology over time, and found the propagation to display a logarithmic behavior. This methodology was repeated with a flagella-deficient fliR mutant of Pantoea sp. YR343 which resulted in reduced surface attachment. Quantifiable differences between Pantoea WT and ΔfliR biofilm morphologies were captured by the image processing algorithm, further demonstrating the insight gained from these methods.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Advantages of the Samarskii-type schemes on the Shishkin mesh

The schemes of the Samarskii type are simple modifications of the upwind scheme. We use them on the Shishkin mesh and discuss their advantages over the upwind scheme when applied to the linear one-dimensional singularly perturbed convection–diffusion problem. One of the advantages is that the Samarskii-type schemes have exact first-order accuracy uniform in the perturbation parameter, as opposed to the upwind scheme which is almost first-order uniformly accurate because its accuracy is diminished by logarithmic factors. Although this is not a new result, we re-emphasize it in the paper. We also demonstrate another advantage, that the Samarskii-type schemes are almost second-order uniformly accurate on the layer component of the solution. Motivated by this fact, we present a further improvement of the numerical method.

Convection–diffusion↗
DOE OSTI2020

Water vapor oxidation behaviors of nuclear graphite IG-110 for a postulated accident scenario in high temperature gas-cooled reactors

Water leakage in accidental conditions of high temperature gas-cooled reactors is one of the most critical problems that can compromise the integrity of different nuclear components. In this study, oxidation behaviors of nuclear graphite IG-110 in water ingress accidental conditions were investigated. Mass loss and oxidation rates were evaluated after oxidation tests at temperatures up to 1400 °C in an Ar-20 vol% H 2 O mixed atmosphere. The activation energy decreased from 318.6 to 148.9 kJ/mol with temperature, indicating two different oxidation regimes. The cross-sections of the oxidized samples were systematically characterized. The corresponding logarithmic porosity profiles showed a temperature dependency. Pore formation moved toward near-surface regions with increasing temperature and preferential binder oxidation, with filler particle degradation. Furthermore, oxidant concentration profiles and oxidation depths were estimated using a theoretical model and compared with the experimental results. This work provides important benchmark data and safety analysis guidance for the accident scenario in high temperature gas-cooled reactors.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2017

A 12 year EDF study of concrete creep under uniaxial and biaxial loading

This paper presents a 12-year-long creep and shrinkage experimental campaign on cylindrical and prismatic concrete samples under uniaxial and biaxial stress, respectively. The motivation for the study is the need for predicting the delayed strains and the pre-stress loss of concrete containment buildings of nuclear power plants. Two subjects are central in this regard: the creep strain's long-term evolution and the creep Poisson's ratio. A greater understanding of these areas is necessary to ensure reliable predictions of the long-term behavior of the concrete containment buildings.Long-term basic creep appears to evolve as a logarithm function of time in the range of 3 to 10 years of testing. Similar trends are observed for drying creep, autogenous shrinkage, and drying shrinkage testing, which suggests that all delayed strains obtained using different loading and drying conditions originate from a common mechanism.The creep Poisson's ratio derived from the biaxial tests is approximately constant over time for both the basic and drying creep tests (creep strains corrected by the shrinkage strain).It is also shown that the biaxial non-drying samples undergo a significant increase in Young's modulus after 10 years.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Hydrothermal solubility of Dy hydroxide as a function of pH and stability of Dy hydroxyl aqueous complexes from 25 to 250 °C

The rare earth elements (REE) have important applications in green energy technologies. The formation of mineral deposits in geologic systems commonly involves hydrothermal fluids which can mobilize the REE. However, the REE speciation is not well known as a function of pH. The thermodynamic properties of REE hydroxyl complexes used in geochemical models are based on the Helgeson-Kirkham-Flowers (HKF) equation of state parameters which were derived by extrapolation of low temperature experimental and estimated data. In this study, Dy hydroxide solubility experiments are combined with available literature data to improve these models from 25 to 250 °C and optimize the thermodynamic properties of Dy 3+ and Dy hydroxyl complexes using GEMSFITS. Batch-type solubility experiments were conducted from 150 to 250 °C and at saturated water vapor pressure in perchloric acid solutions with initial pH values of 2 to 5 in 0.5 pH unit increments. The measured solubility of Dy hydroxide is retrograde with temperature and decreases with pH. The logarithm of total dissolved Dy molality ranges from –2.3 to –5.3 at 150 °C (pH 4.7–5.5), from –2.4 to –5.6 at 200 °C (pH 3.9–5.1), and from –3.7 to –6.9 at 250 °C (pH of 3.4 and 5.0). The optimized standard partial molal Gibbs energies of formation (Δ f G° T ) derived for Dy 3+ and DyOH 2+ display a close to linear relationship with temperature, fitting with previous optimizations based on DyPO 4 solubility data in the literature. A comparison of the optimized ΔfG°T values for aqueous Dy species with predictions from available HKF parameters indicates significant differences ranging from +11 to –26 kJ/mol between 25 and 250 °C. The experimental fits are used to derive the Dy hydroxide solubility products (K s0 ) and formation constants for the hydrolysis of Dy (β n with n = 1 to 3; Dy 3+ + nOH – = DyOH n 3-n ) as a function of temperature. The optimization method presented yields accurate thermodynamic properties for the Dy 3+ aqua ions and the DyOH 2+ species at the acidic to mildly acidic pH studied whereas more experimental work is needed at near-neutral and alkaline conditions to better constrain the other hydroxyl complexes. Furthermore, the optimized thermodynamic data have a significant impact on geochemical modeling of the mobility and solubility of REE minerals in acidic hydrothermal fluids.

58 GEOSCIENCES↗
DOE OSTI2018

A multilayer multiconfiguration time-dependent Hartree study of the nonequilibrium Anderson impurity model at zero temperature

Quantum transport is studied for the nonequilibrium Anderson impurity model at zero temperature employing the multilayer multiconfiguration time-dependent Hartree theory within the second quantization representation (ML-MCTDH-SQR) of Fock space. To address both linear and nonlinear conductance in the Kondo regime, two new techniques of the ML-MCTDH-SQR simulation methodology are introduced: (i) the use of correlated initial states, which is achieved by imaginary time propagation of the overall Hamiltonian at zero voltage and (ii) the adoption of the logarithmic discretization of the electronic continuum. Employing the improved methodology, the signature of the Kondo effect is analyzed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

An end-to-end deep learning method for solving nonlocal Allen–Cahn and Cahn–Hilliard phase-field models

Here, we propose an efficient end-to-end deep learning method for solving nonlocal Allen–Cahn (AC) and Cahn–Hilliard (CH) phase-field models. One motivation for this effort emanates from the fact that discretized partial differential equation-based AC or CH phase-field models result in diffuse interfaces between phases, with the only recourse for remediation is to severely refine the spatial grids in the vicinity of the true moving sharp interface whose width is determined by a grid-independent parameter that is substantially larger than the local grid size. In this work, we introduce non-mass conserving nonlocal AC or CH phase-field models with regular, logarithmic, or obstacle double-well potentials. Because of non-locality, some of these models feature totally sharp interfaces separating phases. The discretization of such models can lead to a transition between phases whose width is only a single grid cell wide. Another motivation is to use deep learning approaches to ameliorate the otherwise high cost of solving discretized nonlocal phase-field models. To this end, loss functions of the customized neural networks are defined using the residual of the fully discrete approximations of the AC or CH models, which results from applying a Fourier collocation method and a temporal semi-implicit approximation. To address the long-range interactions in the models, we tailor the architecture of the neural network by incorporating a nonlocal kernel as an input channel to the neural network model. We then provide the results of extensive computational experiments to illustrate the accuracy, predictive capabilities, and cost reductions of the proposed method.

42 ENGINEERING↗
DOE OSTI2021

Computational assessment of smooth and rough parameter dependence of statistics in chaotic dynamical systems

An assumption of smooth response to small parameter changes, of statistics or long-time averages of a chaotic system, is generally made in the field of sensitivity analysis, and the parametric derivatives of statistical quantities are critically used in science and engineering. In this paper, we propose a numerical procedure to assess the differentiability of statistics with respect to parameters in chaotic systems. Here, we numerically show that the existence of the derivative depends on the Lebesgue integrability of a certain density gradient function, which we define as the derivative of logarithmic SRB density along the unstable manifold. We develop a recursive formula for the density gradient that can be efficiently computed along trajectories, and demonstrate its use in determining the differentiability of statistics. Our numerical procedure is illustrated on low-dimensional chaotic systems whose statistics exhibit both smooth and rough regions in parameter space.

42 ENGINEERING↗
DOE OSTI2013

CPsuperH2.3: an Updated Tool for Phenomenology in the MSSM with Explicit CP Violation

We describe the Fortran code CPsuperH2.3, which incorporates the following updates compared with its predecessor CPsuperH2.0. It implements improved calculations of the Higgs-boson masses and mixing including stau contributions and finite threshold effects on the tau-lepton Yukawa coupling. It incorporates the LEP limits on the processes e^+e^-->H_iZ,H_iH_j and the CMS limits on H_i->@t@?@t obtained from 4.6 fb^-^1 of data at a center-of-mass energy of 7 TeV. It also includes the decay mode H_i->Z@c and the Schiff-moment contributions to the electric dipole moments of Mercury and Radium 225, with several calculational options for the case of Mercury. These additions make CPsuperH2.3 a suitable tool for analyzing possible CP-violating effects in the MSSM in the era of the LHC and a new generation of EDM experiments. Program summary: Program title: CPsuperH2.3 Catalogue identifier: ADSR_v3_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADSR_v3_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 24058 No. of bytes in distributed program, including test data, etc.: 158721 Distribution format: tar.gz Programming language: Fortran77. Computer: PC running under Linux and computers in Unix environment. Operating system: Linux. RAM: 32 MB Classification: 11.1. Does the new version supersede the previous version?: Yes Catalogue identifier of previous version: ADSR_v2_0 Journal reference of previous version: Comput. Phys. Comm. 180(2009)312 Nature of problem: The calculations of mass spectrum, decay widths and branching ratios of the neutral and charged Higgs bosons in the Minimal Supersymmetric Standard Model with explicit CP violation have been improved. The program is based on renormalization-group-improved diagrammatic calculations that include dominant higher-order logarithmic and threshold corrections, b-quark and @t-lepton Yukawa-coupling resummation effects and improved treatment of Higgs-boson pole-mass shifts. The couplings of the Higgs bosons to the Standard Model gauge bosons and fermions, to their supersymmetric partners and all the trilinear and quartic Higgs-boson self-couplings are also calculated. Also included are a full treatment of the 4x4 (2x2) neutral (charged) Higgs propagator matrix together with the center-of-mass dependent Higgs-boson couplings to gluons and photons, and an integrated treatment of several B-meson observables. The new implementations include the EDMs of Thallium, neutron, Mercury, Deuteron, Radium, and muon, as well as the anomalous magnetic moment of muon, (g_@m-2), the top-quark decays, improved calculations of the Higgs-boson masses and mixing including stau contributions, the LEP limits, and the CMS limits on H_i->@t@t@?. It also implements the decay mode H_i->Z@c and includes the corresponding Standard Model branching ratios of the three neutral Higgs bosons in the array GAMBRN(IM,IWB = 2,IH). Solution method: One-dimensional numerical integration for several Higgs-decay modes and EDMs, iterative treatment of the threshold corrections and Higgs-boson pole masses, and the numerical diagonalization of the neutralino mass matrix. Reasons for new version: Mainly to provide the full calculations of the EDMs of Thallium, neutron, Mercury, Deuteron, Radium, and muon as well as (g_@m-2), improved calculations of the Higgs-boson masses and mixing including stau contributions, the LEP limits, the CMS limits on H_i->@t@t@?, the top-quark decays, H_i->Z@c decay, and the corresponding Standard Model branching ratios of the three neutral Higgs bosons. Summary of revisions: Full calculations of the EDMs of Thallium, neutron, Mercury, Deuteron, Radium, and muon as well as (g_@m-2). Improved treatment of Higgs-boson masses and mixing including stau contributions. The LEP limits. The CMS limits on H_i->@t@t@?. The top-quark decays. The H_i->Z@c decay. The corresponding Standard Model branching ratios of the three neutral Higgs bosons. Running time: Less than 1.0 s.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Parallel diffusion operator for magnetized plasmas with improved spectral fidelity

Diffusive transport processes in magnetized plasmas are highly anisotropic, with fast parallel transport along the magnetic field lines sometimes faster than perpendicular transport by orders of magnitude. This constitutes a major challenge for describing non-grid-aligned magnetic structures in Eulerian (grid-based) simulations. Here, the present paper describes and validates a new method for parallel diffusion in magnetized plasmas based on the anti-symmetry representation [Halpern and Waltz, Phys. Plasmas 25, 060703 (2018)]. In the anti-symmetry formalism, diffusion manifests as a flow operator involving the logarithmic derivative of the transported quantity. Qualitative plane wave analysis shows that the new operator naturally yields better discrete spectral resolution compared to its conventional counterpart. Numerical simulations comparing the new method against existing finite difference methods are carried out, showing significant improvement. In particular, we find that combining anti-symmetry with finite differences in diagonally staggered grids essentially eliminates the so-called “artificial numerical diffusion” that affects conventional finite difference and finite volume methods.

Anisotropic diffusion↗
DOE OSTI2018

Decoupling relationship between economic output and carbon emission in the Chinese construction industry

By positioning in the discourse that economic output is always coupled with natural resource depletion, pollution, and carbon emission, decoupling analysis is widely adopted to evaluate how “quality” economic growth can lead to fewer such downsides so as to encourage sustainable development. This paper aims at examining the decoupling relationship between economic output and carbon emission by focusing on China's construction industry, which is a pillar industry for national economic growth, meanwhile contributes a huge amount of carbon emission. The method of Tapio decoupling model is used to examine the decoupling relationships at both national and provincial levels from 2005 to 2015. It continues to identify the driving force leading to a certain decoupling state by adopting the logarithmic mean Divisia index (LMDI). Results show that: (1) there existed an expansive decoupling relationship between economic growth and construction carbon emission in most provinces of China during 2005–2015; (2) Shanghai presented the best decoupling performance, while in contrast, other provinces such as Guizhou and Fujian displayed expansive negative decoupling state; and (3) “Economic output” played the most significant role in inhibiting the decoupling at both national and provincial levels, while “Indirect carbon intensity” was the main driver for promoting the national decoupling. Although the paper refers to the specific construction of China, the decoupling analysis approach can be extended to other countries as well as to other pollutants such as land pollution, waste water and haze. The understanding of driving forces for the decoupling state in China's construction industry provides international policy-makers with valuable reference for formulating effective measures to balance the dilemma between economic output and carbon emission.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

ARC algorithm: A novel approach to forecast and manage daily electrical maximum demand

This paper proposes an innovative algorithm for predicting short-term electrical maximum demand by using historical demand data. The ability to recognize in peak demand pattern for commercial or industrial customers would propose numerous direct and indirect benefits to the customers and utility providers in terms of demand reduction, cost control, and system stability. Prior works in electrical maximum demand forecasting have been mainly focused on seasonal effects, which is not a feasible approach for industrial manufacturing facilities in short-term load forecasting. The proposed algorithm, denoted as the Adaptive Rate of Change (ARC), determines the logarithmic rate-of-change in load profile prior to a peak by postulating the demand curve as a stochastic, mean-reverting process. The rationale behind this analysis, is that the energy efficient program requires not only demand estimation but also to warn the user of imminent maximum peak occurrence. This paper analyzes demand trend data and incorporates stochastic model and mean reverting half-life to develop an electrical maximum demand forecasting algorithm, which is statistically evaluated by cross-table and F-score for three different manufacturing facilities. Lastly, the aggregate results show an overall accuracy of 0.91 and a F-score of 0.43, which indicates that the algorithm is effective predicting peak demand in predicting peak demand.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Characterization and integration of the singular test integrals in the method-of-moments implementation of the electric-field integral equation

In this paper, we characterize the logarithmic singularities arising in the method of moments from the Green’s function in integrals over the test domain, and we use two approaches for designing geometrically symmetric quadrature rules to integrate these singular integrands. These rules exhibit better convergence properties than quadrature rules for polynomials and, in general, lead to better accuracy with a lower number of quadrature points. In this work, we demonstrate their effectiveness for several examples encountered in both the scalar and vector potentials of the electric-field integral equation (singular, near-singular, and far interactions) as compared to the commonly employed polynomial scheme and the double Ma–Rokhlin–Wandzura (DMRW) rules, whose sample points are located asymmetrically within triangles.

42 ENGINEERING↗