SEARCH · Engineering Papers

Results for “formulation systems”

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 1,081 records · Page 60

All sources NASA NTRS DOE OSTI

DOE OSTI2024

Spinodal enhancement of fluctuations in nucleus-nucleus collisions

Subensemble Acceptance Method (SAM) [1, 2] is an essential link between measured event-by-event fluctuations and their grand canonical theoretical predictions such as lattice QCD. The method allows quantifying the global conservation law effects in fluctuations. In its basic formulation, SAM requires a sufficiently large system such as created in central nucleus-nucleus collisions and sufficient space-momentum correlations. Directly in the spinodal region of the First Order Phase Transition (FOPT) different approximations should be used that account for finite size effects. Thus, we present the generalization of SAM applicable in both the pure phases, metastable and unstable regions of the phase diagram [3]. Obtained analytic formulas indicate the enhancement of fluctuations due to crossing the spinodal region of FOPT and are tested using molecular dynamics simulations. A rather good agreement is observed. Using transport model calculations with interaction potential we show that the spinodal enhancement of fluctuations survives till the later stages of collision via the memory effect [4]. However, at low collision energies the space-momentum correlation is not strong enough for this signal to be transferred to second and third order cumulants measured in momentum subspace. This result agrees well with recent HADES data on proton number fluctuations at $\sqrt{S_{NN}}$ = 2.4 GeV which are found to be consistent with the binomial momentum space acceptance [5].

Poberezhnyuk, Roman↗

DOE OSTI2012

Current sheet oscillations in the magnetic filament approach

Magnetic filament approach is applied for modeling of nonlinear 'kink'-like flapping oscillations of thin magnetic flux tubes in the Earth's magnetotail current sheet. A discrete approximation for the magnetic flux tube was derived on a basis of the Hamiltonian formulation of the problem. The obtained system of ordinary differential equations was integrated by method of Rosenbrock, which is suitable for stiff equations. The two-dimensional exact Kan's solution of the Vlasov equations was used to set the background equilibrium conditions for magnetic field and plasma. Boundary conditions for the magnetic filament were found to be dependent on the ratio of the ionospheric conductivity and the Alfven conductivity of the magnetic tube. It was shown that an enhancement of this ratio leads to the corresponding increase of the frequency of the flapping oscillations. For some special case of boundary conditions, when the magnetic perturbations vanish at the boundaries, the calculated frequency of the 'kink'-like flapping oscillations is rather close to that predicted by the 'double gradient' analytical model. For others cases, the obtained frequency of the flapping oscillations is somewhat larger than that from the 'double gradient' theory. The frequency of the nonlinear flapping oscillations was found to be a decreasing function of the amplitude.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2013

Communication: Reduced density matrices in molecular systems: Grand-canonical electron states

Grand-canonical like descriptions of many electron atomic and molecular open systems which are characterized by a non-integer number of electrons are presented. Their associated reduced density matrices (RDMs) are obtained by introducing the contracting mapping for this type of distributions. It is shown that there is loss of information when connecting RDMs of different order by partial contractions. The energy convexity property of these systems simplifies the description. Consequently, this formulation opens the possibility to a new look for chemical descriptors such as chemical potential and reactivity among others. Examples are presented to discuss the theoretical aspects of this work.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2015

Diffusive cosmic-ray acceleration at relativistic shock waves with magnetostatic turbulence

The analytical theory of diffusive cosmic-ray acceleration at parallel stationary shock waves with magnetostatic turbulence is generalized to arbitrary shock speeds V{sub s}=β{sub 1}c, including, in particular, relativistic speeds. This is achieved by applying the diffusion approximation to the relevant Fokker–Planck particle transport equation formulated in the mixed comoving coordinate system. In this coordinate system, the particle's momentum coordinates p and μ=p{sub ∥}/p are taken in the rest frame of the streaming plasma, whereas the time and space coordinates are taken in the observer's system. For magnetostatic slab turbulence, the diffusion–convection transport equation for the isotropic (in the rest frame of the streaming plasma) part of the particle's phase space density is derived. For a step-wise shock velocity profile, the steady-state diffusion–convection transport equation is solved. For a symmetric pitch-angle scattering Fokker–Planck coefficient, D{sub μμ}(−μ)=D{sub μμ}(μ), the steady-state solution is independent of the microphysical scattering details. For nonrelativistic mono-momentum particle injection at the shock, the differential number density of accelerated particles is a Lorentzian-type distribution function, which at large momenta approaches a power-law distribution function N(p⩾p{sub c})∝p{sup −ξ} with the spectral index ξ(β{sub 1})=1+[3/(Γ{sub 1}√(r{sup 2}−β{sub 1}{sup 2})−1)(1+3β{sub 1}{sup 2})]. For nonrelativistic (β{sub 1}≪1) shock speeds, this spectral index agrees with the known result ξ(β{sub 1}≪1)≃(r+2)/(r−1), whereas for ultrarelativistic (Γ{sub 1}≫1) shock speeds the spectral index value is close to unity.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

Viewpoint: Exorcizing Maxwell’s demon

Here, physicists have been haunted by the idea of Maxwell's demon for almost 150 years. The beast, conjured in a thought experiment by James Clerk Maxwell, sorts particles in a gas according to their speeds, thus transferring heat from the colder, evenly mixed gas to the region containing the hotter, high-speed particles. At first sight, the demon appears to violate the second law of thermodynamics. But the paradox can be resolved by realizing that work must be performed on the demon for it to do its job properly. This description isn’t entirely satisfying, however, as it introduces an external—not necessarily physical—entity to do work on the demon. Jukka Pekola and colleagues of Aalto University in Finland [1] have now exorcised such nonphysical beings by realizing a nanodevice equivalent to a Maxwell's demon (Fig. 1), but one whose operation doesn’t depend on an external entity. This so-called autonomous device, also known as an information machine, is completely self-contained. So far, autonomous demons have been a purely theoretical concept; this new experimental system provides a way to test formulations of fundamental axioms of thermodynamics and descriptions of information processing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2023

Atomistic modeling of a superconductor–transition metal dichalcogenide–superconductor Josephson junction

Using an atomistic tight-binding model, we investigate the characteristics of a Josephson junction formed by monolayers of MoS 2 sandwiched between Pb superconducting electrodes. We derive and apply Green's function–based formulation to compute the Josephson current as well as the local density of states in the junction. Our analysis of diagonal and off-diagonal components of the local density of states reveals the presence of triplet superconducting correlations in the MoS 2 monolayers and spin-polarized subgap (Andreev bound) states. Our formulation can be extended to other systems where atomistic details and large scales are needed to obtain accurate modeling of Josephson junction physics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2018

Hypernuclear no-core shell model

We extend the No-Core Shell Model (NCSM) methodology to incorporate strangeness degrees of freedom and apply it to single-Λ hypernuclei. After discussing the transformation of the hyperon-nucleon (YN) interaction into Harmonic-Oscillator (HO) basis and the Similarity Renormalization Group transformation applied to it to improve model-space convergence, we introduce two complementary formulations of the NCSM, one that uses relative Jacobi coordinates and symmetry-adapted basis states to fully exploit the symmetries of the hypernuclear Hamiltonian, and one working in a Slater determinant basis of HO states where antisymmetrization and computation of matrix elements is simple and to which an importance-truncation scheme can be applied. For the Jacobi-coordinate formulation, we give an iterative procedure for the construction of the antisymmetric basis for arbitrary particle number and present the formulae used to embed two- and three-baryon interactions into the many-body space. For the Slater-determinant formulation, we report on the conversion of the YN interaction matrix elements from relative to single-particle coordinates, the importance-truncation scheme that tailors the model space to the description of the low-lying spectrum, and the role of the redundant center-of-mass degrees of freedom. We end with a confirmation of both formulations in the four-body system, giving converged ground-state energies for a chiral Hamiltonian, and present a short survey of the A ≤ 7 hyper-helium isotopes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2017

Entanglement entropy and decoupling in the Universe

In the expanding universe, two interacting fields are no longer in thermal contact when the interaction rate becomes smaller than the Hubble expansion rate. After decoupling, two subsystems are usually treated separately in accordance with equilibrium thermodynamics and the thermodynamic entropy gives a fiducial quantity conserved in each subsystem. In this paper, we discuss a correction to this paradigm from quantum entanglement of two coupled fields. The thermodynamic entropy is generalized to the entanglement entropy. We formulate a perturbation theory to derive the entanglement entropy and present Feynman rules in diagrammatic calculations. For specific models to illustrate our formulation, an interacting scalar-scalar system, quantum electrodynamics, and the Yukawa theory are considered. We calculate the entanglement entropy in these models and find a quantum correction to the thermodynamic entropy. The correction is revealed to be important in circumstances of instantaneous decoupling.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

Solving the Optimal Trading Trajectory Problem Using a Quantum Annealer

We solve a multi-period portfolio optimization problem using D-Wave Systems' quantum annealer. We derive a formulation of the problem, discuss several possible integer encoding schemes, and present numerical examples that show high success rates. The formulation incorporates transaction costs (including permanent and temporary market impact), and, significantly, the solution does not require the inversion of a covariance matrix. The discrete multi-period portfolio optimization problem we solve is significantly harder than the continuous variable problem. We present insight into how results may be improved using suitable software enhancements and why current quantum annealing technology limits the size of problem that can be successfully solved today. Here, the formulation presented is specifically designed to be scalable, with the expectation that as quantum annealing technology improves, larger problems will be solvable using the same techniques.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

Mean-Variance Optimization-Based Energy Storage Scheduling Considering Day-Ahead and Real-Time LMP Uncertainties

In this letter, a new mean-variance optimization-based energy storage scheduling method is proposed with the consideration of both day-ahead (DA) and real-time (RT) energy markets price uncertainties. It considers the locational marginal price (LMP) forecast uncertainties in the DA and RT markets. The energy storage arbitrage risk associated with the LMP forecast uncertainty is explicitly modeled through the variance component in the objective function. The quadratic term of this variance is transformed into a second-order cone constraint using the charging and discharging power complementarity of the energy storage system. Finally, the proposed model is formulated as a mixed-integer conic programming problem. Numerical case studies demonstrate the effectiveness of the proposed model for energy storage scheduling considering price uncertainty.

25 ENERGY STORAGE↗

DOE OSTI2019

Resilience Analysis of DC Microgrids under Denial of Service Threats

This paper develops a resilience analysis framework to study the fault ride-through capability of direct current (DC) microgrids in unknown denial of service (DoS) cyber incidents. DoS can be a frequent threat to DC microgrids with advanced controllers that hinge on active information exchanges: it can paralyze data communications and cause control ineptness or even system instability. Furthermore, we show that temporal DoS incidents render the DC microgrid cyber-physical topology and parameters time-varying and cause them to jump between faulty conditions. As existing DC microgrid stability analysis results are primarily developed from time-invariant systems, they might not be valid for the DoS interrupted systems. In this paper, we seek to study whether a DC microgrid is resilient against time-varying unknown DoS incidents. The problem is formulated as a stability analysis problem for a system with randomly switching dynamics. Scalable conditions are developed to provide provable resilience guarantees. In addition, we exploit the special structure of the conditions to yield quantified resilience measure by convex optimization techniques. As a result, the measure can be used for the evaluation of the resilience of different DC microgrid design against DoS incidents. We demonstrate the effectiveness of the proposed work using simulation case studies.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2016

Quantitative Three-Dimensional Imaging of Heterogeneous Materials by Thermal Tomography

Infrared thermal imaging based on active thermal excitations has been widely used for nondestructive evaluation ( NDE) of materials. While the experimental systems have remained essentially the same during the last few decades, development of advanced data-processing methods has significantly improved the capabilities of this technology. However, many limitations still exist. One fundamental limitation is the requirement, either explicitly or implicitly, of the tested material to be homogeneous such that detected thermal contrasts may be used to determine an average material property or attributed to flaws. In this paper, a new thermal tomography ( TT) method is introduced, which for the first time can evaluate heterogeneous materials by directly imaging their thermal-property variations with space. It utilizes one-sided flash thermal-imaging data to construct the three-dimensional ( 3D) distribution of thermal effusivity in the entire volume of a test sample. Theoretical analyses for single and multilayer material systems were conducted to validate its formulation and to demonstrate its performance. Experimental results for a ceramic composite plate and a thermal barrier coating ( TBC) sample are also presented. It was shown that thermal diffusion is the primary factor that degrades the spatial resolution with depth for TT; the spatial resolutions in the lateral and axial directions were quantitatively evaluated.

47 OTHER INSTRUMENTATION↗

DOE OSTI2015

Completing Lorentz violating massive gravity at high energies

Theories with massive gravitons are interesting for a variety of physical applications, ranging from cosmological phenomena to holographic modeling of condensed matter systems. To date, they have been formulated as effective field theories with a cutoff proportional to a positive power of the graviton mass m{sub g} and much smaller than that of the massless theory (M{sub P} ≈ 10{sup 19} GeV in the case of general relativity). In this paper, we present an ultraviolet completion for massive gravity valid up to a high energy scale independent of the graviton mass. The construction is based on the existence of a preferred time foliation combined with spontaneous condensation of vector fields. The perturbations of these fields are massive and below their mass, the theory reduces to a model of Lorentz violating massive gravity. The latter theory possesses instantaneous modes whose consistent quantization we discuss in detail. We briefly study some modifications to gravitational phenomenology at low-energies. The homogeneous cosmological solutions are the same as in the standard cosmology. The gravitational potential of point sources agrees with the Newtonian one at distances small with respect to m{sub g}{sup −1}. Interestingly, it becomes repulsive at larger distances.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Protection settings optimizer

SAND2023-06672O The Protection Settings Optimizer (PSO) uses system and fault data as inputs to formulate the problem of calculating relay settings as a mixed integer, nonlinear optimization problem (MINLP). The MINLP is solved using a genetic algorithm-based optimizer that attempts to find settings to reduce the relay operating times. The PSO protects the power system by using the steady-state fault voltages and currents, which then calculates the optimal device setting to protect the power system. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Patel, Trupal↗

DOE OSTI2015

Large-scale 3D geoelectromagnetic modeling using parallel adaptive high-order finite element method

Here, we have investigated the use of the adaptive high-order finite-element method (FEM) for geoelectromagnetic modeling. Because high-order FEM is challenging from the numerical and computational points of view, most published finite-element studies in geoelectromagnetics use the lowest order formulation. Solution of the resulting large system of linear equations poses the main practical challenge. We have developed a fully parallel and distributed robust and scalable linear solver based on the optimal block-diagonal and auxiliary space preconditioners. The solver was found to be efficient for high finite element orders, unstructured and nonconforming locally refined meshes, a wide range of frequencies, large conductivity contrasts, and number of degrees of freedom (DoFs). Furthermore, the presented linear solver is in essence algebraic; i.e., it acts on the matrix-vector level and thus requires no information about the discretization, boundary conditions, or physical source used, making it readily efficient for a wide range of electromagnetic modeling problems. To get accurate solutions at reduced computational cost, we have also implemented goal-oriented adaptive mesh refinement. The numerical tests indicated that if highly accurate modeling results were required, the high-order FEM in combination with the goal-oriented local mesh refinement required less computational time and DoFs than the lowest order adaptive FEM.

58 GEOSCIENCES↗

DOE OSTI2020

Communication-Constrained Expansion Planning for Resilient Distribution Systems

Distributed generation and remotely controlled switches have emerged as important technologies to improve the resiliency of distribution grids against extreme weather-related disturbances. Therefore it becomes important to study how best to place them on the grid in order to meet a resiliency criteria, while minimizing costs and capturing their dependencies on the associated communication systems that sustain their distributed operations. This paper introduces the Optimal Resilient Design Problem for Distribution and Communication Systems (ORDPDC) to address this need. The ORDPDC is formulated as a two-stage stochastic mixed-integer program that captures the physical laws of distribution systems, the communication connectivity of the smart grid components, and a set of scenarios that specifies which components are affected by potential disasters. The paper proposes an exact branch-and-price algorithm for the ORDPDC that features a strong lower bound and a variety of acceleration schemes to address degeneracy. The ORDPDC model and branch-and-price algorithm were evaluated on a variety of test cases with varying disaster intensities and network topologies. The results demonstrate the significant impact of the network topologies on the expansion plans and costs, as well as the computational benefits of the proposed approach.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

A Tutorial for Using an Open-Source Solver for the Regional Energy Deployment System (ReEDS) Model

ReEDS is a publicly available model developed at NREL that can be used to analyze the potential evolution of the U.S. electric power system into the future. ReEDS is formulated as a linear program, written in GAMS, and solved using a linear programming solver (e.g., CPLEX). This tutorial provides context and understanding for the implications of using an open-source solver for ReEDS.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2021

Reveal-CoV Diaagnostic Platform (Final Report)

LLNL designed and built a rapid, RT-LAMP-based molecular diagnostics platform as a potential tool to quickly diagnose COVID-19 in under one hour. This point-of-care testing approach involves an initial high temperature swab sample inactivation step followed by amplification of viral RNA using up to 5 control and pathogen-specific assays. Results are determined based on a discreet reaction color change from red to yellow but can also be determined using fluorescence detection. Testing of this prototype platform was conducted with synthetic viral RNA and dried, stabilized reagents. Buffer systems, swab selection, and assay stabilization formulations were evaluated for performance. Limits of detection were determined using RNA; however, testing was not performed with viable SARS-CoV-2 virus or clinical samples.

59 BASIC BIOLOGICAL SCIENCES↗