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At least 19 records

A thermodynamically consistent discretization of 1D thermal-fluid models using their metriplectic 4-bracket structure

Thermodynamically consistent models in continuum physics, i.e. models which satisfy the first and second laws of thermodynamics, may be expressed using the metriplectic formalism. In this work, we leverage the structures underlying this modeling formalism to preserve thermodynamic consistency in discretizations of a fluid model. The procedure relies (1) on ensuring that the spatial semi-discretization retains certain symmetries and degeneracies of the Poisson and metriplectic 4-brackets, and (2) on the use of an appropriate energy conserving time-stepping method. Here, the minimally simple yet nontrivial example of a one-dimensional thermal-fluid model is treated. It is found that preservation of the requisite symmetries and degeneracies of the 4-bracket is relatively simple to ensure in Galerkin spatial discretizations, suggesting a path forward for thermodynamically consistent discretizations of more complex fluid models using more specialized Galerkin methods.

Hamiltonian structure

Direct and inverse problems in radiation of sound from discrete random sources on two coaxial rings

An analytical model consisting of two ring sources of sound is developed to study the direct radiation in terms of correlation, coherence, and phase and also to aid in solving the inverse-radiation problem of determining the noise source in terms of farfield measurements. The rings consist of discrete sources which are either monopoles or quadrupoles with Gaussian autocorrelations. Only adjacent sources, both within and between the rings, are correlated. Results show that from the farfield information one can determine when the sources are compact or noncompact with respect to the acoustic wavelength and distinguish between the types of sources. In addition, from the inverse-radiation approach one can recover the center of mass, the location and separation distance of the ring, and the respective diameters.

Maestrello, L.

Consistent Second Moment Methods with Scalable Linear Solvers for Radiation Transport

Second moment methods (SMMs) are developed that are consistent with the discontinuous Galerkin spatial discretization of the discrete ordinates (or S\(_N\)) transport equations. The low-order (LO) diffusion system of equations is discretized with fully consistent P\(_1\), local discontinuous Galerkin (LDG), and interior penalty (IP) methods. A discrete residual approach is used to derive SMM correction terms that make each of the LO systems consistent with the high-order discretization. We show that the consistent methods are more accurate and have better solution quality than independently discretized LO systems, that they preserve the diffusion limit, and that the LDG and IP consistent SMMs can be scalably solved in parallel on a challenging, multimaterial benchmark problem.

97 MATHEMATICS AND COMPUTING

DEKFIS user's guide: Discrete Extended Kalman Filter/Smoother program for aircraft and rotorcraft data consistency

The computer program DEKFIS (discrete extended Kalman filter/smoother), formulated for aircraft and helicopter state estimation and data consistency, is described. DEKFIS is set up to pre-process raw test data by removing biases, correcting scale factor errors and providing consistency with the aircraft inertial kinematic equations. The program implements an extended Kalman filter/smoother using the Friedland-Duffy formulation.

Source record

Hydrogen bonding to the formate ligand: Structural characterization of 2,2′:6′,2″-terpyridine zinc formate·H 2 O

Here, two polymorphs of the 2,2’:6’,2”-terpyridine zinc formate compound (terpy)Zn(O 2 CH) 2 •H 2 O have been structurally characterized by X-ray diffraction. In each case, the formate ligands coordinate via a K 1 -monodentate coordination mode and participate in hydrogen bonding interactions with water molecules. Despite this similarity, however, the polymorphs exhibit different hydrogen bonding motifs. Specifically, while one polymorph forms chains in which water molecules link adjacent (terpy)Zn(O 2 CH) 2 molecules, the other polymorph consists of discrete tetranuclear [(terpy)Zn(O 2 CH) 2 •H 2 O] 4 moieties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

3D polycatenated architected materials

Architected materials derive their properties from the geometric arrangement of their internal structural elements. Their designs rely on continuous networks of members to control the global mechanical behavior of the bulk. Here, in this study, we introduce a class of materials that consist of discrete concatenated rings or cage particles interlocked in three-dimensional networks, forming polycatenated architected materials (PAMs). We propose a general design framework that translates arbitrary crystalline networks into particle concatenations and geometries. In response to small external loads, PAMs behave like non-Newtonian fluids, showing both shear-thinning and shear-thickening responses, which can be controlled by their catenation topologies. At larger strains, PAMs behave like lattices and foams, with a nonlinear stress-strain relation. At microscale, we demonstrate that PAMs can change their shapes in response to applied electrostatic charges. The distinctive properties of PAMs pave the path for developing stimuli-responsive materials, energy-absorbing systems, and morphing architectures.

36 MATERIALS SCIENCE

A ring-source model for jet noise

A model consisting of two ring sources was developed to study the direct radiation of jet noise in terms of correlation, coherence, and phase and also to aid in solving the inverse radiation problem of determining the noise source in terms of far-field measurements. The rings consist of discrete sources which are either monopoles or quadrupoles with Gaussian profiles. Only adjacent sources, both within the rings and between rings, are correlated. Results show that from the far-field information can be used to determine when the sources are compact or noncompact with respect to the acoustic wavelength and to distinguish between the types of sources. In addition, from the inverse radiation approach, the center of mass, the location and separation distance of the ring, and the diameters can be recovered.

Maestrello, L.

A model for the noise radiated by turbulent boundary layers and its interaction with laminar layers in supersonic flow

Motivated by the noise-boundary layer transition problem in supersonic flow, the interaction between incoming aerodynamic noise and the laminar boundary layer was studied. The noise field was modeled as a Mach wave radiation field consisting of discrete waves emanating from coherent turbulent entities moving downstream within the supersonic turbulent boundary layer. The individual disturbances are likened to miniature sonic booms and the laminar boundary layer is strafed by the waves as the sources move downstream. The mean, autocorrelation, and power spectral density of the field are expressed in terms of the wave shapes and their average arrival rates. The emphasis in the interaction analysis is on the behavior of the shocklets in the noise field. The shocklets are shown to be focused by the laminar boundary layer in its outer region. Borrowing wave-propagation terminology, this region is termed the caustic region. Using scaling laws from sonic boom work, focus factors at the caustic are estimated to vary from 2 to 6 for incoming shocklet strengths of 1 to .01 percent of the free stream pressure level. The situation regarding experimental evidence of the caustic region is reviewed. It is not clear whether the focusing effectively promotes early transition. Additional observations concerning the interaction problem are presented.

Schopper, M. R.

SAINT: A combined simulation language for modeling man-machine systems

SAINT (Systems Analysis of Integrated Networks of Tasks) is a network modeling and simulation technique for design and analysis of complex man machine systems. SAINT provides the conceptual framework for representing systems that consist of discrete task elements, continuous state variables, and interactions between them. It also provides a mechanism for combining human performance models and dynamic system behaviors in a single modeling structure. The SAINT technique is described and applications of the SAINT are discussed.

Seifert, D. J.

A model for the noise radiated by turbulent boundary layers and its interaction with laminar layers in supersonic flow

Motivated by the noise-boundary layer transition problem in supersonic flow, the interaction between incoming aerodynamic noise and the laminar boundary layer has been studied. The noise field has been modeled as a Mach wave radiation field consisting of discrete waves emanating from coherent turbulent entities moving downstream within the supersonic turbulent boundary layer. The individual disturbances are likened to miniature sonic booms and the laminar boundary layer is strafed by the waves as the sources move downstream. The mean, autocorrelation, and power spectral density of the field are expressed in terms of the wave shapes and their average arrival rates. The emphasis in the interaction analysis is on the behavior of the shocklets in the noise field. The shocklets are shown to be focused by the laminar boundary layer in its outer region. Borrowing wave-propagation terminology, this region is termed the caustic region. Using scaling laws from sonic boom work, focus factors at the caustic are estimated to vary from 2 to 6 for incoming shocklet strengths of 1 to .01 percent of the free stream pressure level.

Schopper, M. R.

Endogenous Interface Pricing for Consistent Transmission–Distribution Co-Optimization With Discrete Distribution Controls

This paper proposes an endogenous interface pricing model for day-ahead transmission–distribution co-optimization that co-determines the interface locational marginal price (LMP) and the transmission–distribution exchange, ensuring price–dispatch consistency while optimally scheduling discrete distribution controls. The formulation couples a DC optimal power flow (OPF) with a branch-flow AC OPF that schedules distributed energy resources (DERs), tap-changer settings, capacitor banks (CBs), and multi-period energy storage systems (ESSs) under feeder voltage and current limits, and is solved as a mixed-integer second-order cone program (MISOCP). In a T14–D33 system, coordinated device scheduling recovers about 90% of the distribution-to-transmission export achievable in a reference case that ignores distribution network (DN) limits, while satisfying a 1.05 p.u. voltage upper bound. In a T39–D34/D37/D123 system, a sequential decoupled benchmark produces interface LMP distortions up to 12.5% and a 7.28% mismatch in net export energy, whereas the proposed model removes these distortions and the associated settlement mismatches. Second-order cone (SOC) relaxation gaps remain below $10^{-3}$ in all cases.

Noh, Seung-Gil

On the discretization error of the discrete generalized quantum master equation

The transfer tensor method (TTM) [Cerrillo and Cao, Phys. Rev. Lett. 112 , 110401 (2014)] can be considered a discrete-time formulation of the Nakajima–Zwanzig quantum master equation (NZ-QME) for modeling non-Markovian quantum dynamics. A recent paper [Makri, J. Chem. Theory Comput. 21 , 5037 (2025)] raised concerns regarding the consistency of the TTM discretization, particularly a spurious term at the initial time t = 0. Here, this work presents a detailed analysis of the discretization structure of the TTM, clarifying the origin of the initial-time correction and establishing a consistent relationship between the TTM discrete-time memory kernel K N and the continuous-time NZ-QME kernel $\mathscr{K}$( N Δ t ). This relationship is validated numerically using the spin-boson model, demonstrating convergence of reconstructed memory kernels and accurate dynamical evolution as Δ t → 0. While the TTM provides a consistent discretization, we note that alternative schemes are also viable, such as the midpoint derivative/midpoint integral scheme proposed in Makri’s work. The relative performance of various schemes for either computing accurate $\mathscr{K}$( N Δ t ) from exact dynamics or obtaining accurate dynamics from exact $\mathscr{K}$( N Δ t ) warrants further investigation.

Density-matrix

Virtual element approximations of the time-fractional nonlinear convection-diffusion equation on polygonal meshes

We extend the Virtual Element Method to a two-dimensional unsteady nonlinear convection-diffusion equation characterized by a fractional-order derivative with respect to the time variable. Our methodology is based on three fundamental technical components: a fractional version of the Grunwald-Letnikov approximation, discrete maximal regularity, and the regularity theory associated with non-linearity. We prove the method's well-posedness, i.e., the approximate solution's existence and uniqueness to the time-fractional convection-diffusion equation with a Lipschitz nonlinear source term. The fully discrete scheme inherently maintains stability and consistency by leveraging the discrete maximal regularity and the energy projection operator. The convergence in the L 2 -norm and H 1 -norm to various mesh configurations is validated by numerical results, underlining the practical effectiveness of the proposed method.

97 MATHEMATICS AND COMPUTING

An Accurate SUPG-stabilized Continuous Galerkin Discretization for Anisotropic Heat Flux in Magnetic Confinement Fusion

We present a novel spatial discretization for the anisotropic heat conduction equation, aimed at improved accuracy at the high levels of anisotropy seen in a magnetized plasma, for example, for magnetic confinement fusion. The new discretization is based on a mixed formulation, introducing a form of the directional derivative along the magnetic field as an auxiliary variable and discretizing both the temperature and auxiliary fields in a continuous Galerkin (CG) space. Both the temperature and auxiliary variable equations are stabilized using the streamline upwind Petrov–Galerkin (SUPG) method, ensuring a better representation of the directional derivatives and therefore an overall more accurate solution. This approach can be seen as the CG-based version of our previous work (Wimmer, Southworth, Gregory, Tang, 2024), where we considered a mixed discontinuous Galerkin (DG) spatial discretization including DG-upwind stabilization. We prove consistency of the novel discretization, and demonstrate its improved accuracy over existing CG-based methods in test cases relevant to magnetic confinement fusion. This includes a long-run tokamak equilibrium sustainment scenario, demonstrating a 35% and 32% spurious heat loss for existing primal and mixed CG-based formulations versus 4% for our novel SUPG-stabilized discretization.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY

A prefiltering version of the Kalman filter with new numerical integration formulas for Riccati equations

A prefiltering version of the Kalman filter is derived for both discrete and continuous measurements. The derivation consists of determining a single discrete measurement that is equivalent to either a time segment of continuous measurements or a set of discrete measurements. This prefiltering version of the Kalman filter easily handles numerical problems associated with rapid transients and ill-conditioned Riccati matrices. Therefore, the derived technique for extrapolating the Riccati matrix from one time to the next constitutes a new set of integration formulas which alleviate ill-conditioning problems associated with continuous Riccati equations. Furthermore, since a time segment of continuous measurements is converted into a single discrete measurement, Potter's square root formulas can be used to update the state estimate and its error covariance matrix. Therefore, if having the state estimate and its error covariance matrix at discrete times is acceptable, the prefilter extends square root filtering with all its advantages, to continuous measurement problems.

Womble, M. E.

An Integrated Computational Materials Engineering (ICME) Approach to Design Nonlinear Transition Zones Between Dissimilar Metals

Current approaches to designing graded transition joints (GTJs) between dissimilar metals often rely on linear changes in both composition profiles and thickness of each sublayer. This increases fabrication cost and may not be optimal with respect to residual stress or the formation of undesirable phases. Here, in this study, GTJs between P91 ferritic/martensitic steel and 347H austenitic stainless steel were designed using Integrated Computational Materials Engineering (ICME) principles with nonlinear composition and length profiles. Guided by inputs from classical mechanics and CALPHAD predictions of carbon chemical potential, a novel transition zone consisting of five discrete compositions was proposed, with the thickness of each sublayer varying according to a brachistochrone-inspired distribution. In addition to carbon potential gradients, CALPHAD was used to predict coefficients of thermal expansion, which were incorporated into finite element models to evaluate stress evolution. The proposed nonlinear design resulted in a smoother carbon potential gradient, lower carbon depletion at the P91 interface, and a comparable residual stress under long-term thermal exposure, compared to a conventional linear design using ten sublayers with equal thickness. This work introduces a brachistochrone-inspired distribution for GTJ design, offering a general framework for optimizing graded interfaces between dissimilar metals.

Directed Energy Deposition

Interim prediction method for fan and compressor source noise

A method is presented for interim use in assessing the noise generated by fans and compressors in turbojet and turbofan engines. One-third octave band sound pressure levels consisting of broadband, discrete tone, and combination-tone noise components are predicted. Spectral distributions and directivity variations are specified. The method is based on that developed by other investigators with modifications derived from an analysis of full-scale, single-stage fan data. Comparisons of predicted and measured noise performance are presented, and requirements for improving the method are discussed.

Heidmann, M. F.

Full-coverage film cooling heat transfer study: Summary of data for normal-hole injection and 30 deg slant-hole injection

Heat transfer to a full coverage film cooled turbulent boundary layer over a flat surface was studied. The surface consisted of a discrete hole test section containing 11 rows of holes spaced 5 diameters apart in a staggered array and an instrumented recovery region. Ten diameter spacing was also studied by plugging appropriate holes. Two test sections were used, one having holes normal to the surface and the other having holes angled 30 deg to the surface in the downstream direction. Stanton number data were obtained both in the full coverage region and in the downstream recovery region for a range of blowing ratios, or mass flux ratios, from 0 to 1.3. Initial conditions at the upstream edge of the blowing region were varied from 500 to 5000 for momentum thickness Reynolds number and from 100 to 1800 for enthalpy thickness Reynolds number. The range of Reynolds numbers based on hole diameter and mainstream velocity was 6000 to 22000. Initial boundary layer thicknesses range from 0.5 to 2.0 hole diameters. Air was used as the working fluid. The data were taken for the secondary injection temperature equal to the wall temperature and also equal to the mainstream temperature. Superposition was then used to obtain Stanton number as a continuous function of the injectant temperature. The heat transfer coefficient was defined on the basis of a mainstream-to-wall temperature difference. This definition permits direct comparison of performance between film cooling and transpiration cooling.

Crawford, M. E.