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At least 811 records · Page 45

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DOE OSTI2022

Numerical fluid dynamics for FRG flow equations: Zero-dimensional QFTs as numerical test cases. II. Entropy production and irreversibility of RG flows

Herein we demonstrate that the reformulation of renormalization group (RG) flow equations as nonlinear heat equations has severe implications on the understanding of RG flows in general. We demonstrate by explicitly constructing an entropy function for a zero-dimensional Z 2 -symmetric model that the dissipative character of generic nonlinear diffusion equations is also hard-coded in the functional RG equation. This renders RG flows manifestly irreversible, revealing the semigroup property of RG transformations on the level of the flow equation itself. Additionally, we argue that the dissipative character of RG flows, its irreversibility and the entropy production during the RG flow may be linked to the existence of a so-called C– / A-function. In total, this introduces an asymmetry in the so-called RG time—in complete analogy to the thermodynamic arrow of time—and allows for an interpretation of infrared actions as equilibrium solutions of dissipative RG flows equations. The impossibility of resolving microphysics from macrophysics is evident in this framework. Furthermore, we directly link the irreversibility and the entropy production in RG flows to an explicit numerical entropy production, which is manifest in diffusive and non-linear partial differential equations (PDEs) and a standard mathematical tool for the analysis of PDEs. Using exactly solvable zero-dimensional Z 2 -symmetric models, we explicitly compute the (numerical) entropy production related to the total variation nonincreasing property of the PDE during RG flows toward the infrared limit. Finally, we discuss generalizations of our findings and relations to the C– / A-theorem as well as how our work may help to construct truncations of RG flow equations in the future, including numerically stable schemes for solving the corresponding PDEs.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2026

TEM Approaches for Microstructure-Informed Prediction of Mechanical Properties in Structural Alloys

Predicting the mechanical performance of structural alloys from their evolving microstructure remains a major challenge in materials science, particularly for nuclear structural materials, where irradiation-induced defects span multiple types and length scales and interact through complex mechanisms. The dispersed barrier hardening (DBH) [1] and Friedel–Kroupa–Hirsch (FKH) [2,3] models have been widely used to evaluate the hardening contributions of individual obstacles and to estimate tensile strength from quantified microstructures; however, when multiple size-dependent obstacles coexist and evolve, predicting temperature-dependent tensile strength becomes significantly more complex, and a fully consistent hardening model is still lacking. Transmission electron microscopy (TEM) plays a central role in refining hardening models and enabling predictive assessments of tensile strength evolution by providing quantitative characterization of dislocations, irradiation-induced defects (e.g., dislocation loops and cavities), precipitates, and grain structure (Fig. 1.). These experimentally measured defect densities are incorporated into physically based hardening models with size- and shape- dependent obstacle strengths [4], using root-sum-square superposition for obstacles of comparable strength and linear superposition for dissimilar ones [5]. In addition, recent advances in TEM [6-8], including high-resolution imaging, 4D-STEM strain mapping, EDS/EELS elemental analysis, and flash-polishing-based TEM specimen preparation and extraction-replica methods (Fig. 2), further improve the accuracy of microstructural quantification. By comparison with prior studies as well as our own results, we show that when TEM-derived microstructural information is carefully integrated with physically grounded hardening models, yield strength (or irradiation-induced hardening) measured at room temperature can be predicted with good quantitative agreement across multiple alloy classes. In-situ TEM combined with high-temperature mechanical testing represents an important next step for refining hardening models by directly probing dislocation–obstacle interactions across varying irradiation doses and temperatures [9]. Because the barrier strength factor (α) depends on both temperature and obstacle size, it should not be treated as a constant fitting parameter; rather, it must be explicitly evaluated to achieve physically meaningful predictions of mechanical behaviour at operating temperatures. This presentation therefore discusses why all strengthening contributions (e.g., Peierls stress, solid-solution strengthening, voids, bubbles, dislocation loops, dislocation lines, and grain boundaries) must be considered collectively, why appropriate superposition methods are essential when obstacles possess different barrier strength factors, how hardness measurements can be meaningfully related to tensile properties, and how TEM-derived microstructural information can be systematically incorporated into hardening models. More broadly, it outlines a pathway toward microstructure-informed prediction of mechanical properties and supports the goal of establishing science-based tools for evaluating structural materials in extreme environments [10].

Lin, Yan-Ru [ORNL] (ORCID:0000000339991473)↗

DOE OSTI2019

Finite-Field Approach to Solving the Bethe-Salpeter Equation

In this paper, we present a method to compute optical spectra and exciton binding energies of molecules and solids based on the solution of the Bethe-Salpeter equation and the calculation of the screened Coulomb interaction in a finite field. The method does not require either the explicit evaluation of dielectric matrices or of virtual electronic states, and can be easily applied without resorting to the random phase approximation. In addition, it utilizes localized orbitals obtained from Bloch states using bisection techniques, thus greatly reducing the complexity of the calculation and enabling the efficient use of hybrid functionals to obtain single particle wave functions. We report exciton binding energies of several molecules and absorption spectra of condensed systems of unprecedented size, including water and ice samples with hundreds of atoms.

36 MATERIALS SCIENCE↗

NASA NTRS1983

Modeling global structural damping in trusses using simple continuum models

Truss beams with members having viscous damping are modeled as continuum Timoshenko beams. Procedures for deriving the equivalent beam stiffnesses and damping are presented. The global damping for the continuum beam is explicitly expressed in terms of the damping coefficients of the individual truss members. The continuum beam model is used to study transient vibration problems and the solutions are compared well with the full scale finite element solutions. The gradient method is used for parameter estimations in conjunction with the Timoshenko beam model. It is shown that the Timoshenko beam model can be easily updated with measured data and the updated model can yield very accurate transient solutions.

Sun, C. T.↗

NASA NTRS1985

The Scaling of Coronal Models from One Star to Another

The requirements that must be met in order that stationary numerical corona models can be scaled from one star to another are discussed. A corona model is a solution of the conservation equations for mass, momentum, and energy, subject to appropriate boundary conditions, and of the equation of state. In general, the mass M and radius R of the star enter these equations and boundary conditions as free parameters. A given solution can be scaled to other stars only if all equations can be rewritten in such a form that M and R do no longer appear explicitly as free parameters, but only implicitly as scaling factors of the variables. An adequate means to find these scaling factors is a homologous transformation: one multiplies all variables and parameters by separate constants (i.e., scaling factors) and requires that the equations and boundary conditions remain valid. This leads to a set of nonlinear relations between the transformation constants. Only if in this set the two constants associated with M and R can be chosen independently, can a given numerical corona model be scaled to arbitrary stars.

Hammer, R.↗

NASA NTRS1985

A numerical simulation of the NFAC (National Full-scale Aerodynamics Complex) open-return wind tunnel inlet flow

The flow into an open return wind tunnel inlet was simulated using Euler equations. An explicit predictor-corrector method was employed to solve the system. The calculation is time-accurate and was performed to achieve a steady-state solution. The predictions are in reasonable agreement with the experimental data. Wall pressures are accurately predicted except in a region of recirculating flow. Flow-field surveys agree qualitatively with laser velocimeter measurements. The method can be used in the design process for open return wind tunnels.

Kaul, U. K.↗

NASA NTRS1985

A numerical simulation of the NFAC (National Full-scale Aerodynamics Complex) open-return wind tunnel inlet flow

Kaul, U. K.↗

NASA NTRS1986

Modeling of transient heat pipe operation

Mathematical models and associated solution procedures which can be used to design heat pipe cooled structures for use on hypersonic vehicles are being developed. The models should also have the capability to predict off-design performance for a variety of operating conditions. It is expected that the resulting models can be used to predict startup behavior of liquid metal heat pipes to be used in reentry vehicles, hypersonic aircraft, and space nuclear reactors. Work to date related to numerical solutions of governing differential equations for the outer shell and the combination capillary structure and working fluid is summarized. Finite element numerical equations using both implicit, explicit, and combination methods were examined.

Colwell, G. T.↗

NASA NTRS1990

Adaptive grid embedding for the two-dimensional flux-split Euler equations

A numerical algorithm is presented for solving the 2-D flux-split Euler equations using a multigrid method with adaptive grid embedding. The method uses an unstructured data set along with a system of pointers for communication on the irregularly shaped grid topologies. An explicit two-stage time advancement scheme is implemented. A multigrid algorithm is used to provide grid level communication and to accelerate the convergence of the solution to steady state. Results are presented for a subcritical airfoil and a transonic airfoil with 3 levels of adaptation. Comparisons are made with a structured upwind Euler code which uses the same flux integration techniques of the present algorithm. Good agreement is obtained with converged surface pressure coefficients. The lift coefficients of the adaptive code are within 2 1/2 percent of the structured code for the sub-critical case and within 4 1/2 percent of the structured code for the transonic case using approximately one-third the number of grid points.

Warren, Gary Patrick↗

NASA NTRS1990

Numerical simulation of an F-16A at angle of attack

The transonic flowfield around an F-16A fighter configuration at a moderate incidence angle is simulated by solving the Navier-Stokes equations on a single-block grid. The numerical solution matches experimental freestream conditions with a mach number of 0.85, 16 degrees angle of attack, and a characteristic Reynolds number of 12.75 million. MacCormack's explicit algorithm is used in conjuction with a local time step and consecutive mesh refinement procedure to accelerate numerical convergence. The Baldwin-Lomax algebraic model provides turbulent closure. Computed surface pressure distributions and the aircraft lift coefficient compare favorably with wind tunnel data. The drag coefficient in the simulation overpredicts the experimental value by 8 percent.

Huband, G. W.↗

NASA NTRS1990

Adaptive grid embedding for the two-dimensional Euler equations

A numerical algorithm is presented for solving the two-dimensional flux-split Euler equations using a multigrid method with adaptive grid embedding. The method uses an unstructured data set along with a system of pointers for communication on the irregularly shaped grid topologies. An explicit two-stage time advancement scheme is implemented. A multigrid algorithm is used to provide grid level communication and to accelerate the convergence of the solution to steady state. Results are presented for an NACA 0012 airfoil in a freestream with Mach numbers of 0.95 and 1.054. Excellent resolution of the shock structures is obtained with the adaptive grid embedding method with significantly fewer grid points than the comparable structured grid.

Warren, Gary P.↗

NASA NTRS1991

Numerical analysis of ignition transients in solid rocket motors

A model to analyze the unstready multidimensional turbulent flow in the head-end, star slot section of a solid rocket motor during the ignition transient is developed. The present paper examines the fluid dynamic aspects of the starting transient. A finite-difference solution of the unsteady, compressible, full Navier-Stokes equations, together with a two-equation k-epsilon turbulence model, is obtained utilizing the MacCormack explicit, predictor-corrector technique. Computed results for the flow in the slot are compared with experimental data obtained in cold flow tests of a scaled model of the Space Shuttle SRM head-end, star grain section. The agreement between the calculated flowfield and existing experimental data is very good.

Ciucci, A.↗

NASA NTRS1992

Development of iterative techniques for the solution of unsteady compressible viscous flows

The development of efficient iterative solution methods for the numerical solution of two- and three-dimensional compressible Navier-Stokes equations is discussed. Iterative time marching methods have several advantages over classical multi-step explicit time marching schemes, and non-iterative implicit time marching schemes. Iterative schemes have better stability characteristics than non-iterative explicit and implicit schemes. In this work, another approach based on the classical conjugate gradient method, known as the Generalized Minimum Residual (GMRES) algorithm is investigated. The GMRES algorithm has been used in the past by a number of researchers for solving steady viscous and inviscid flow problems. Here, we investigate the suitability of this algorithm for solving the system of non-linear equations that arise in unsteady Navier-Stokes solvers at each time step.

Sankar, Lakshmi N.↗

NASA NTRS1933

Theory of wing sections of arbitrary shape

This report presents a solution of the problem of the theoretical flow of a frictionless incompressible fluid past airfoils of arbitrary forms. The velocity of the 2-dimensional flow is explicitly expressed for any point of the surface, and for any orientation, by an exact expression containing a number of parameters which are functions of the form only and which may be evaluated by convenient graphical methods. The method is particularly simple and convenient for bodies of streamline forms. The results have been applied to typical airfoils and compared with experimental data.

Theodorsen, Theodore↗

NASA NTRS2003

Optimal Limited Contingency Planning

For a given problem, the optimal Markov policy over a finite horizon is a conditional plan containing a potentially large number of branches. However, there are applications where it is desirable to strictly limit the number of decision points and branches in a plan. This raises the question of how one goes about finding optimal plans containing only a limited number of branches. In this paper, we present an any-time algorithm for optimal k-contingency planning. It is the first optimal algorithm for limited contingency planning that is not an explicit enumeration of possible contingent plans. By modelling the problem as a partially observable Markov decision process, it implements the Bellman optimality principle and prunes the solution space. We present experimental results of applying this algorithm to some simple test cases.

Meuleau, Nicolas↗

NASA NTRS2006

Simulations of Sea-Ice Dynamics Using the Material-Point Method

In recent years, the availability of large volumes of recorded ice motion derived from high-resolution SAR data has provided an amazingly detailed look at the deformation of the ice cover. The deformation is dominated by the appearance of linear kinematic features that have been associated with the presence of leads. These remarkable data put us in a position to begin detailed evaluation of current coupled mechanical and thermodynamic models of sea ice. This presentation will describe the material point method (MPM) for solving these model equations. MPM is a numerical method for continuum mechanics that combines the best aspects of Lagrangian and Eulerian discretizations. The material points provide a Lagrangian description of the ice that models convection naturally. Thus, properties such as ice thickness and compactness are computed in a Lagrangian frame and do not suffer from errors associated with Eulerian advection schemes, such as artificial diffusion, dispersion, or oscillations near discontinuities. This desirable property is illustrated by solving transport of ice in uniform, rotational and convergent velocity fields. Moreover, the ice geometry is represented by unconnected material points rather than a grid. This representation facilitates modeling the large deformations observed in the Arctic, as well as localized deformation along leads, and admits a sharp representation of the ice edge. MPM also easily allows the use of any ice constitutive model. The versatility of MPM is demonstrated by using two constitutive models for simulations of wind-driven ice. The first model is a standard viscous-plastic model with two thickness categories. The MPM solution to the viscous-plastic model agrees with previously published results using finite elements. The second model is a new elastic-decohesive model that explicitly represents leads. The model includes a mechanism to initiate leads, and to predict their orientation and width. The elastic-decohesion model can provide similar overall deformation as the viscous-plastic model; however, explicit regions of opening and shear are predicted. Furthermore, the efficiency of MPM with the elastic-decohesive model is competitive with the current best methods for sea ice dynamics. Simulations will also be presented for an area of the Beaufort Sea, where predictions can be validated against satellite observations of the Arctic.

Sulsky, D.↗

NASA NTRSDate not supplied

New Capabilities and Improvements to the High-Order Glenn Flux Reconstruction Code

The Glenn Flux Reconstruction (GFR) code is a computational fluid dynamics (CFD) code under development at NASA Glenn Research Center. GFR is based on the high-order flux reconstruction (FR) method and provides a large-eddy simulation (LES) capability that is both accurate and efficient for complex aeropropulsion flows. Three significant new capabilities have been added to the code that improve its performance and functionality. First, a variety of explicit Runge-Kutta methods, including some with adaptive time stepping, were added to GFR with two methods offering a 33% improvement in time-to-solution. Second, GFR can now utilize fully unstructured, mixed-element meshes to more easily facilitate the grid generation process for complex geometries. Finally, a rotating reference frame capability has been added to GFR for solving rotating turbomachinery problems. A selection of results demonstrating these new capabilities are presented in this work. The Taylor-Green vortex problem is used to verify the new unstructured capability by showing similar accuracy and resolution for all element types. LES of the Turbulent Heat Flux Phase III (THX3) experiment with comparison to another high-order LES code and a popular Reynolds-averaged Navier-Stokes (RANS) code demonstrates the accuracy of the code for complex aeropropulsion flows. Finally, LES of a spacecraft cabin ventilation fan shows the ability of GFR to efficiently establish a fan performance map and identify operating points for further analysis at high orders of accuracy.

High-Order Methods↗

NASA NTRSDate not supplied

New Capabilities and Improvements to the High-Order Glenn Flux Reconstruction Code

Direct Numerical Simulations↗