SEARCH · Engineering Papers

Results for “FORMULATION”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 469 records · Page 26

All sources NASA NTRS DOE OSTI

DOE OSTI2010

Black hole entropy from the SU(2)-invariant formulation of type I isolated horizons

A detailed analysis of the spherically symmetric isolated horizon system is performed in terms of the connection formulation of general relativity. The system is shown to admit a manifestly SU(2) invariant formulation where the (effective) horizon degrees of freedom are described by an SU(2) Chern-Simons theory. This leads to a more transparent description of the quantum theory in the context of loop quantum gravity and modifications of the form of the horizon entropy.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2010

Superspace formulation in a three-algebra approach to D=3, N=4, 5 superconformal Chern-Simons matter theories

We present a superspace formulation of the D=3, N=4, 5 superconformal Chern-Simons Matter theories, with matter supermultiplets valued in a symplectic 3-algebra. We first construct an N=1 superconformal action and then generalize a method used by Gaitto and Witten to enhance the supersymmetry from N=1 to N=5. By decomposing the N=5 supermultiplets and the symplectic 3-algebra properly and proposing a new superpotential term, we construct the N=4 superconformal Chern-Simons matter theories in terms of two sets of generators of a (quaternion) symplectic 3-algebra. The N=4 theories can also be derived by requiring that the supersymmetry transformations are closed on-shell. The relationship between the 3-algebras, Lie superalgebras, Lie algebras, and embedding tensors (proposed in [E. A. Bergshoeff, O. Hohm, D. Roest, H. Samtleben, and E. Sezgin, J. High Energy Phys. 09 (2008) 101.]) is also clarified. The general N=4, 5 superconformal Chern-Simons matter theories in terms of ordinary Lie algebras can be re-derived in our 3-algebra approach. All known N=4, 5 superconformal Chern-Simons matter theories can be recovered in the present superspace formulation for super-Lie algebra realization of symplectic 3-algebras.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2011

Constraint preserving boundary conditions for the Z4c formulation of general relativity

We discuss high-order absorbing constraint preserving boundary conditions for the Z4c formulation of general relativity coupled to the moving puncture family of gauges. We are primarily concerned with the constraint preservation and absorption properties of these conditions. In the frozen coefficient approximation, with an appropriate first-order pseudodifferential reduction, we show that the constraint subsystem is boundary stable on a four-dimensional compact manifold. We analyze the remainder of the initial boundary value problem for a spherical reduction of the Z4c formulation with a particular choice of the puncture gauge. Numerical evidence for the efficacy of the conditions is presented in spherical symmetry.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2011

Constraint propagation of C{sup 2}-adjusted formulation: Another recipe for robust ADM evolution system

With a purpose of constructing a robust evolution system against numerical instability for integrating the Einstein equations, we propose a new formulation by adjusting the ADM evolution equations with constraints. We apply an adjusting method proposed by Fiske (2004) which uses the norm of the constraints, C{sup 2}. One of the advantages of this method is that the effective signature of adjusted terms (Lagrange multipliers) for constraint-damping evolution is predetermined. We demonstrate this fact by showing the eigenvalues of constraint propagation equations. We also perform numerical tests of this adjusted evolution system using polarized Gowdy-wave propagation, which show robust evolutions against the violation of the constraints than that of the standard ADM formulation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2011

Hamiltonian formulation of the Belinskii-Khalatnikov-Lifshitz conjecture

The Belinskii, Khalatnikov, and Lifshitz conjecture [V. A. Belinskii, I. M. Khalatnikov, and E. M. Lifshitz, Adv. Phys. 19, 525 (1970)] posits that on approach to a spacelike singularity in general relativity the dynamics are well approximated by ''ignoring spatial derivatives in favor of time derivatives.'' In A. Ashtekar, A. Henderson, and D. Sloan, Classical Quantum Gravity 26, 052 001 (2009), we examined this idea from within a Hamiltonian framework and provided a new formulation of the conjecture in terms of variables well suited to loop quantum gravity. We now present the details of the analytical part of that investigation. While our motivation came from quantum considerations, thanks to some of its new features, our formulation should be useful also for future analytical and numerical investigations within general relativity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2011

Hamiltonian formulation of Palatini f(R) theories a la Brans-Dicke theory

We study the Hamiltonian formulation of f(R) theories of gravity both in metric and in Palatini formalism using their classical equivalence with Brans-Dicke theories with a nontrivial potential. The Palatini case, which corresponds to the {omega}=-3/2 Brans-Dicke theory, requires special attention because of new constraints associated with the scalar field, which is nondynamical. We derive, compare, and discuss the constraints and evolution equations for the {omega}=-3/2 and {omega}{ne}-3/2 cases. Based on the properties of the constraint and evolution equations, we find that, contrary to certain claims in the literature, the Cauchy problem for the {omega}=-3/2 case is well formulated and there is no reason to believe that it is not well posed in general.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2011

Action principle for the generalized harmonic formulation of general relativity

An action principle for the generalized harmonic formulation of general relativity is presented. The action is a functional of the spacetime metric and the gauge source vector. An action principle for the Z4 formulation of general relativity has been proposed recently by Bona, Bona-Casas, and Palenzuela. The relationship between the generalized harmonic action and the Bona, Bona-Casas, and Palenzuela action is discussed in detail.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2018

Physical foundation and consistent formulation of atomic-level fluxes in transport processes

Irving and Kirkwood derived the transport equations from the principles of classical statistical mechanics using the Dirac delta to define local densities. Thereby, formulas for fluxes were obtained in terms of molecular variables. The Irving and Kirkwood formalism has inspired numerous formulations. Many of the later developments, however, considered it more rigorous to replace the Dirac delta with a continuous volume-weighted averaging function and subsequently defined fluxes as a volume density. Although these volume-averaged flux formulas have dominated the literature for decades and are widely implemented in popular molecular dynamics (MD) software, they are a departure from the well-established physical concept of fluxes. We review the historical developments that led to the unified physical concept of fluxes for transport phenomena. We then use MD simulations to show that these popular flux formulas conserve neither momentum nor energy, nor do they produce fluxes that are consistent with their physical definitions. We also use two different approaches to derive fluxes for general many-body potentials. The results of the formulation show that atomistic formulas for fluxes can be fully consistent with the physical definitions of fluxes and conservation laws.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2016

Eulerian formulation of the interacting particle representation model of homogeneous turbulence

The Interacting Particle Representation Model (IPRM) of homogeneous turbulence incorporates information about the morphology of turbulent structures within the con nes of a one-point model. In the original formulation [Kassinos & Reynolds, Center for Turbulence Research: Annual Research Briefs, 31{51, (1996)], the IPRM was developed in a Lagrangian setting by evolving second moments of velocity conditional on a given gradient vector. In the present work, the IPRM is re-formulated in an Eulerian framework and evolution equations are developed for the marginal PDFs. Eulerian methods avoid the issues associated with statistical estimators used by Lagrangian approaches, such as slow convergence. A specific emphasis of this work is to use the IPRM to examine the long time evolution of homogeneous turbulence. We first describe the derivation of the marginal PDF in spherical coordinates, which reduces the number of independent variables and the cost associated with Eulerian simulations of PDF models. Next, a numerical method based on radial basis functions over a spherical domain is adapted to the IPRM. Finally, results obtained with the new Eulerian solution method are thoroughly analyzed. The sensitivity of the Eulerian simulations to parameters of the numerical scheme, such as the size of the time step and the shape parameter of the radial basis functions, is examined. A comparison between Eulerian and Lagrangian simulations is performed to discern the capabilities of each of the methods. Finally, a linear stability analysis based on the eigenvalues of the discrete differential operators is carried out for both the new Eulerian solution method and the original Lagrangian approach.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2017

Temporal slow-growth formulation for direct numerical simulation of compressible wall-bounded flows

A slow-growth formulation for DNS of wall-bounded turbulent flow is developed and demonstrated to enable extension of slow-growth modeling concepts to wall-bounded flows with complex physics. As in previous slow-growth approaches, the formulation assumes scale separation between the fast scales of turbulence and the slow evolution of statistics such as the mean flow. This separation enables the development of approaches where the fast scales of turbulence are directly simulated while the forcing provided by the slow evolution is modeled. The resulting model admits periodic boundary conditions in the streamwise direction, which avoids the need for extremely long domains and complex inflow conditions that typically accompany spatially developing simulations. Further, it enables the use of efficient Fourier numerics. Unlike previous approaches [Guarini, Moser, Shariff, and Wray, J. Fluid Mech. 414, 1 (2000); Maeder, Adams, and Kleiser, J. Fluid Mech. 429, 187 (2001); Spalart, J. Fluid Mech. 187, 61 (1988)], the present approach is based on a temporally evolving boundary layer and is specifically tailored to give results for calibration and validation of Reynolds-averaged Navier–Stokes (RANS) turbulence models. The use of a temporal homogenization simplifies the modeling, enabling straightforward extension to flows with complicating features, including cold and blowing walls. To generate data useful for calibration and validation of RANS models, special care is taken to ensure that the mean slow-growth forcing is closed in terms of the mean and other quantities that appear in standard RANS models, ensuring that there is no confounding between typical RANS closures and additional closures required for the slow-growth problem. The performance of the method is demonstrated on two problems: an essentially incompressible, zero-pressure-gradient boundary layer and a transonic boundary layer over a cooled, transpiring wall. The results show that the approach produces flows that are qualitatively similar to other slow-growth methods as well as spatially developing simulations and that the method can be a useful tool in investigating wall-bounded flows with complex physics.

42 ENGINEERING↗

DOE OSTI2022

Autoregressive Neural Network for Simulating Open Quantum Systems via a Probabilistic Formulation

The theory of open quantum systems lays the foundation for a substantial part of modern research in quantum science and engineering. Rooted in the dimensionality of their extended Hilbert spaces, the high computational complexity of simulating open quantum systems calls for the development of strategies to approximate their dynamics. In this Letter, we present an approach for tackling open quantum system dynamics. Using an exact probabilistic formulation of quantum physics based on positive operator-valued measure, we compactly represent quantum states with autoregressive neural networks; such networks bring significant algorithmic flexibility due to efficient exact sampling and tractable density. We further introduce the concept of string states to partially restore the symmetry of the autoregressive neural network and improve the description of local correlations. Efficient algorithms have been developed to simulate the dynamics of the Liouvillian superoperator using a forward-backward trapezoid method and find the steady state via a variational formulation. Our approach is benchmarked on prototypical one-dimensional and two-dimensional systems, finding results which closely track the exact solution and achieve higher accuracy than alternative approaches based on using Markov chain Monte Carlo method to sample restricted Boltzmann machines. Our Letter provides general methods for understanding quantum dynamics in various contexts, as well as techniques for solving high-dimensional probabilistic differential equations in classical setups.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2019

A Classical Field Theory Formulation for the Numerical Solution of Time Harmonic Electromagnetic Fields

Finite element representations of Maxwell's equations pose unusual challenges inherent to the variational representation of the “curl-curl” equation for the fields. We present a variational formulation which solves for the four-potential instead, based on classical field theory. Borrowing from quantum electrodynamics, we modify the Lagrangian by adding an implicit gauge-fixing term. This reformulation explicitly accounts for Gauss’ law through the coupling between $\phi$ and $\rho$ , and enables the use of nodal basis functions instead of edge elements for time-harmonic problems. Here, we demonstrate how this formulation, adhering to the deeper underlying symmetries of the four-dimensional covariant field description, provides a highly general, robust numerical framework.

43 PARTICLE ACCELERATORS↗

DOE OSTI2015

Strengthened MILP formulation for certain gas turbine unit commitment problems

In this study, we derive a strengthened MILP formulation for certain gas turbine unit commitment problems, in which the ramping rates are no smaller than the minimum generation amounts. This type of gas turbines can usually start-up faster and have a larger ramping rate, as compared to the traditional coal-fired power plants. Recently, the number of this type of gas turbines increases significantly due to affordable gas prices and their scheduling flexibilities to accommodate intermittent renewable energy generation. In this study, several new families of strong valid inequalities are developed to help reduce the computational time to solve these types of problems. Meanwhile, the validity and facet-defining proofs are provided for certain inequalities. Finally, numerical experiments on a modified IEEE 118-bus system and the power system data based on recent studies verify the effectiveness of applying our formulation to model and solve this type of gas turbine unit commitment problems, including reducing the computational time to obtain an optimal solution or obtaining a much smaller optimality gap, as compared to the default CPLEX, when the time limit is reached with no optimal solutions obtained.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2020

Formulation of Three-Phase State Estimation Problem Using a Virtual Reference

State Estimation (SE) is the backbone of modern Energy Management System (EMS) due its capability of processing real time measurements and provide reliable information to system operators. Since its introduction to power systems in the 70’s, SE has been widely used in transmission networks. Distribution grids on the other hand lack sufficient number of real time measurements, and for that reason SE has not been widely implemented on these systems. The recent increase in the number of renewable energy sources connected to the grid at lower voltage levels, the advent of Distribution Automation (DA) and Smart Grids necessitate closer monitoring of distribution networks and thus forcing utilities to upgrade their operations and deploy Advanced Distribution Management Sytems (ADMS). Therefore, Distribution System State Estimation (DSE) is paramount to provide real time monitoring of active distribution grids. This papers investigates the formulation of the three-phase distribution state estimation where in the most general case, none of the system buses may have balanced three phase voltages. In such a case, the choice and definition of the slack bus need to be revisited. Most of the existing work arbitrarily assign the root bus of the distribution feeder as the balanced three-phase reference which may not be realistic for today’s active distribution systems. This paper addresses this shortcoming of the existing SE formulations by introducing a virtual reference bus. Here, the proposed approach is effectively validated by simulations carried out on distribution test systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2015

Fatty Acid Profiles for Differentiating Growth Medium Formulations Used to Culture Bacillus cereus T‐strain Spores

Abstract Microbial biomarkers that indicate aspects of an organism's growth conditions are important targets of forensic research. In this study, we examined fatty acid composition as a signature for the types of complex nutrients in the culturing medium. Bacillus cereus T‐strain spores were grown in medium formulations supplemented with one of the following: peptone (meat protein), tryptone (casein protein), soy protein, and brain–heart infusion. Cellular biomass was profiled with fatty acid methyl ester ( FAME ) analysis. Results showed peptone cultures produced spores enriched in straight‐chained lipids. Tryptone cultures produced spores enriched in branched‐odd lipids when compared with peptone, soy, and brain–heart formulations. The observed FAME variation was used to construct a set of discriminant functions that could help identify the nutrients in a culturing recipe for an unknown spore sample. Blinded classification tests were most successful for spores grown on media containing peptone and tryptone, showing 88% and 100% correct identification, respectively.

Ehrhardt, Christopher J.↗

DOE OSTI2018

Assessment of Dermal Absorption of Aluminum from a Representative Antiperspirant Formulation Using a 26 Al Microtracer Approach

A clinical pharmacokinetic study was performed in 12 healthy women to evaluate systemic exposure to aluminum following topical application of a representative antiperspirant formulation under real-life use conditions. A simple roll-on formulation containing an extremely rare isotope of aluminum ( 26 Al) chlorohydrate (ACH) was prepared to commercial specifications. A 26 Al radio-microtracer was used to distinguish dosed aluminum from natural background, using accelerated mass spectroscopy. The 26 Al citrate was administered intravenously (i.v.) to estimate fraction absorbed (F abs ) following topical delivery. In blood samples after i.v. administration, 26Al was readily detected (mean area under the curve (AUC) = 1,273 ± 466 hours × fg /mL). Conversely, all blood samples following topical application were below the lower limit of quantitation (LLOQ; 0.12 fg/mL), except two samples (0.13 and 0.14 fg/mL); a maximal AUC was based on LLOQs. The aluminum was above the LLOQ (61 ag/mL) in 31% of urine samples. From the urinary excretion data, a conservative estimated range for dermal F abs of 0.002– 0.06% was calculated, with a mean estimate of 0.0094%.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2023

Glass formulation and composition optimization with property models: A review

Abstract Glass is a versatile material with a remarkable history and many practical applications. It plays a critical role in our everyday lives, the advancement of science, and the development of many technologies. The Edisonian type trial‐and‐error method was commonly used for conventional design of glass compositions, which was time‐consuming and costly. With the urgent need to develop new glass compositions for technology applications rapidly, it has become necessary to develop precise property models with predictive powers using large databases and efficient formulation approaches. This paper reviews the design of glass compositions using these analytical and numerical models of composition–structure–property relations of glasses, some based on large databases and machine learning approaches. Aspects of data collection, model fitting, feature extraction, model evaluation, and uncertainty quantification will be covered. Furthermore, advances in the glass optimization framework and available tools are summarized with examples. The outlook and perspective for further glass property model development and formulation approaches are discussed.

Lu, Xiaonan↗

DOE OSTI2013

Enhanced HLW glass formulations for the waste treatment and immobilization plant

Current estimates and glass formulation efforts are conservative vis-a-vis achievable waste loadings. These formulations have been specified to ensure that glasses are homogenous, contain essentially no crystalline phases, are processable in joule-heated, ceramic-lined melters and meet WTP Contract terms. The WTP's overall mission will require the immobilization of tank waste compositions that are dominated by mixtures of aluminum, chromium, bismuth, iron, phosphorous, zirconium, and sulfur compounds as waste-limiting components. Glass compositions for these waste mixtures have been developed based upon previous experience and current glass property models. DOE has a testing program to develop and characterize HLW glasses with higher waste loadings. This work has demonstrated the feasibility of increases in waste loading from 25 wt% to 33-50 wt% (based on oxide loading) in the glass depending on the waste stream. It is expected these higher waste loading glasses will reduce the HLW canister production requirement by 25% or more. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗