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At least 361 records · Page 20

Multi-resolution partial differential equations preserved learning framework for spatiotemporal dynamics

Traditional data-driven deep learning models often struggle with high training costs, error accumulation, and poor generalizability in complex physical processes. Physics-informed deep learning (PiDL) addresses these challenges by incorporating physical principles into the model. Most PiDL approaches regularize training by embedding governing equations into the loss function, yet this depends heavily on extensive hyperparameter tuning to weigh each loss term. To this end, we propose to leverage physics prior knowledge by “baking” the discretized governing equations into the neural network architecture via the connection between the partial differential equations (PDE) operators and network structures, resulting in a PDE-preserved neural network (PPNN). This method, embedding discretized PDEs through convolutional residual networks in a multi-resolution setting, largely improves the generalizability and long-term prediction accuracy, outperforming conventional black-box models. The effectiveness and merit of the proposed methods have been demonstrated across various spatiotemporal dynamical systems governed by spatiotemporal PDEs, including reaction-diffusion, Burgers’, and Navier-Stokes equations.

97 MATHEMATICS AND COMPUTING↗

DS-TIDE: Harnessing Dynamical Systems for Efficient Time-Independent Differential Equation Solving

Time-Independent Differential Equations (TIDEs) are central to modeling equilibrium behavior across a wide range of scientific and engineering domains, from electrostatics to porous media flow. Conventional numerical solvers offer reliable solutions but incur significant computational costs due to fine-grained discretization and iterative procedures. Machine learning-based approaches address this by replacing iterative solving processes with one-time inference; however, their sophisticated models require extensive training resources that often exceed those of traditional solvers. Consequently, designing a TIDE solver that achieves high accuracy, broad applicability, and exceptional computational efficiency remains a fundamental challenge. In this paper, we propose DS-TIDE, a novel hardware solver that is inspired by, and subsequently leverages, the intrinsic connection between Dynamical Systems (DS) and Differential Equations (DEs) to efficiently and accurately solve TIDEs. DS-TIDE employs a CMOS-compatible DS-based processor, whose physical states evolve under carefully designed DE-driven dynamics and naturally converge to equilibrium -- the solution of the target TIDE -- within ~1µs on a ~1-watt DS-TIDE processor. To enhance expressivity, DS-TIDE incorporates Heterogeneous Dynamics with Temporal Layering (HDTL), which solves TIDEs through a three-stage DS evolution -- conditioning, solving, and decoding -- each governed by specialized dynamics. The entire evolution process is analogous to an infinitely deep neural network temporally unrolled, offering the system the capability of representing complex equations. Furthermore, DS-TIDE is equipped with an on-device DS-DE Auto-Alignment mechanism that dynamically adapts intrinsic hardware dynamics within milliseconds, effectively aligning the system’s dynamics to diverse target DEs. Experimental results across TIDEs from a wide range of scientific and engineering domains demonstrate that DS-TIDE achieves ~10^3× speedup, ~10^5× energy savings, and competitive or superior accuracy compared to state-of-the-art numerical and ML-based solvers.

Liu, Chuan↗

Thin Interface Asymptotics for an Energy/Entropy Approach to Phase-Field Models with Unequal Conductivities

Karma and Rapped recently developed a new sharp interface asymptotic analysis of the phase-field equations that is especially appropriate for modeling dendritic growth at low undercoolings. Their approach relieves a stringent restriction on the interface thickness that applies in the conventional asymptotic analysis, and has the added advantage that interfacial kinetic effects can also be eliminated. However, their analysis focussed on the case of equal thermal conductivities in the solid and liquid phases; when applied to a standard phase-field model with unequal conductivities, anomalous terms arise in the limiting forms of the boundary conditions for the interfacial temperature that are not present in conventional sharp-interface solidification models, as discussed further by Almgren. In this paper we apply their asymptotic methodology to a generalized phase-field model which is derived using a thermodynamically consistent approach that is based on independent entropy and internal energy gradient functionals that include double wells in both the entropy and internal energy densities. The additional degrees of freedom associated with the generalized phased-field equations can be chosen to eliminate the anomalous terms that arise for unequal conductivities.

McFadden, G. B.↗

Iron(III)–Oxo Cluster Chemistry with Dimethylarsinate Ligands: Structures, Magnetic Properties, and Computational Studies

A program has been initiated to develop Fe III /oxo cluster chemistry with the ‘pseudo-carboxylate’ ligand dimethylarsinate (Me 2 AsO 2 - ) for comparison with the well investigated Fe III /oxo/carboxylate cluster area. The synthesis and characterization of three polynuclear Fe III complexes are reported, [Fe 12 O 4 (O 2 C t Bu) 8 (O 2 AsMe 2 ) 17 (H 2 O) 3 ]Cl 3 (1), Na 2 [Fe 12 Na 2 O 4 (O 2 AsMe 2 ) 20 (NO 3 ) 6 (Me 2 AsO 2 H) 2 (H 2 O) 4 ](NO 3 ) 6 (2) and [Fe 3 (O 2 AsMe 2 ) 6 (Me 2 AsO 2 H) 2 (hqn) 2 ](NO 3 ) (3), where hqn is 8-hydroxyquinoline. The Fe 12 core of 1 is a type never previously encountered in Fe III carboxylate chemistry, consisting of two Fe 6 units each of which comprises two {Fe 3 (μ 3 -O 2- )} units bridged by three Me 2 AsO 2 - groups and linked into an Fe 12 loop structure by two anti-anti η 1 :η 1 :μ Me 2 AsO 2 - groups, a bridging mode extremely rare with carboxylates. 2 also consists of two Fe 6 units, differing in their ligation from those in 1, and this time linked together into a linear structure by a central {Na 2 (NO 3 ) 2 } bridging unit. 3 is a linear Fe 3 complex with no monoatomic bridges between Fe III ions, a very rare situation in Fe III chemistry with any ligands, and unprecedented in Fe carboxylate chemistry. The distinct differences observed in arsinate vs carboxylate ligation modes are rationalized largely based on the greater basicity of the former vs the latter. Variable-temperature dc and ac magnetic susceptibility data reveal all Fe 2 pairwise interactions to be antiferromagnetic. For 1 and 2, the different J ij couplings were estimated by use of a magnetostructural correlation for high nuclearity Fe III -oxo clusters and by density functional theory calculations using broken symmetry methods, allowing identification of their relative spin vector alignments and thus rationalization of their S = 0 ground states. The J ij values were then used as input values to give excellent fits of the experimental χM T vs T data. For 3, the fits of the experimental χM T vs T data to the Van Vleck equation or with PHI gave a very weak J 12 = -0.8(1) cm -1 (H = –2JŠ i ·Š j convention) between adjacent Fe III ions, and an S = 5/2 ground state. Furthermore, these initial Fe III arsinate complexes also provide structural parameters that help validate literature assignments of arsinate binding modes to iron oxide/hydroxide minerals as part of environmental concerns of using arsenic-containing herbicides in agriculture.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Extending the predictive power of perturbative QCD using the principle of maximum conformality and the Bayesian analysis

In addition to the evaluation of high-order loop contributions, the precision and predictive power of perturbative QCD (pQCD) predictions depends on two important issues: (1) how to achieve a reliable, convergent fixed-order series, and (2) how to reliably estimate the contributions of unknown higher-order terms. The recursive use of renormalization group equation, together with the Principle of Maximum Conformality (PMC), eliminates the renormalization scheme-and-scale ambiguities of the conventional pQCD series. The result is a conformal, scale-invariant series of finite order which also satisfies all of the principles of the renormalization group. In this paper we propose a novel Bayesian-based approach to estimate the size of the unknown higher order contributions based on an optimized analysis of probability distributions. We show that by using the PMC conformal series, in combination with the Bayesian analysis, one can consistently achieve high degree of reliability estimates for the unknown high order terms. Thus the predictive power of pQCD can be greatly improved. We illustrate this procedure for two pQCD observables: R e+e– and R τ , which are each known up to four loops in pQCD. Numerical analyses confirm that by using the scale-independent and more convergent PMC conformal series, one can achieve reliable Bayesian probability estimates for the unknown higher-order contributions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

An investigation of a free jet at low Reynolds numbers

A comparison of the measured and calculated flow field properties of a nozzle of unusual design which was used to produce an incompressible, low Reynolds number jet is presented. The nozzle is essentially a porous metal plate which covers the end of a pipe. Results are presented for nozzle Reynolds numbers from 50 to 1000 with velocities of 100 or 200 ft/sec. The nozzle produces a uniform velocity profile at nozzle Reynolds numbers well below those at which conventional contoured nozzles are completely filled with the boundary layer. A jet mixing analysis based on the boundary layer equations accurately predicted the flow field over the entire range of Reynolds numbers tested.

Greene, G. C.↗

Comparison of various drag coefficient expansions using polynomials and splines

The longitudinal differential equation of motion has been used to investigate various aerodynamic expansion techniques. The total drag coefficient was expanded using conventional polynomials and splines with and without floating knot locations. This paper discusses the various techniques and approaches, compares results obtained from simultaneously fitting four separate flights (time vs distance measurements) and outlines the potential advantages and/or disadvantages of the various aerodynamic expansion techniques. It is believed that this is the first time splines have been used in the aerodynamic coefficient estimation process and that these results and techniques are germane to other applications.

Sabot, S. M.↗

Parallel-vector design sensitivity analysis in structural dynamics

This paper presents a parallel-vector algorithm for sensitivity calculations in linear structural dynamics. The proposed alternative formulation works efficiently with the reduced system of dynamic equations, since it eliminates the need for expensive and complicated based-vector derivatives, which are required in the conventional reduced system formulation. The relationship between the alternative formulation and the conventional reduced system formulation has been established, and it has been proven analytically that the two approaches are identical when all the mode shapes are included. This paper validates the proposed alternative algorithm through numerical experiments, where only a small number of mode shapes are used. In addition, a modified mode acceleration method is presented, thus not only the displacements but also the velocities and accelerations are shown to be improved.

Zhang, Y.↗

Expectation-Based Control of Noise and Chaos

A proposed approach to control of noise and chaos in dynamic systems would supplement conventional methods. The approach is based on fictitious forces composed of expectations governed by Fokker-Planck or Liouville equations that describe the evolution of the probability densities of the controlled parameters. These forces would be utilized as feedback control forces that would suppress the undesired diffusion of the controlled parameters. Examples of dynamic systems in which the approach is expected to prove beneficial include spacecraft, electronic systems, and coupled lasers.

Zak, Michael↗

Baroclinic instability in the interiors of the giant planets: A cooling history of Uranus?

We propose a quasigeostrophic, baroclinic model for heat transport within the interior of a stably stratified Jovian planet, based on motion in thin cylindrical annuli. Density decreases from the center outward and is zero at the surface of the planet. In the homogeneous case (no core), we find instability for the poles hotter than the equator, but not for the reverse. If the motion is bounded by an impenetrable core, instability occurs for both cases. Much of the behavior can be explained by analogy to conventional baroclinic instability theory. Motivated by our results, we explore a possible connection between the highly inclined rotation axis of Uranus and its anomalously low surface heat flux. We assume that the planets formed hot. Our conjecture is that heat was efficiently convected outwards by baroclinic instability in Uranus (with the poles hotter than the equator), but not in the other three Jovian planets. The surface temperature was higher for the stably stratified case (Uranus), leading to a higher rate of infrared emission and faster cooling. Therefore, we propose that Uranus lost its internal heat sooner than Neptune because baroclinic motions, permitted by its inclination to the sun, were able to extract its internal heat while the surface was still warm.

Holme, Richard↗

Data-Driven Learning for the Mori--Zwanzig Formalism: A Generalization of the Koopman Learning Framework

A theoretical framework which unifies the conventional Mori--Zwanzig formalism and the approximate Koopman learning of deterministic dynamical systems from noiseless observation is presented. In this framework, the Mori--Zwanzig formalism, developed in statistical mechanics to tackle the hard problem of construction of reduced-order dynamics for high-dimensional dynamical systems, can be considered as a natural generalization of the Koopman description of the dynamical system. We next show that, similar to the approximate Koopman learning methods, data-driven methods can be developed for the Mori--Zwanzig formalism with Mori's linear projection operator. We have developed two algorithms to extract the key operators, the Markov and the memory kernel, using time series of a reduced set of observables in a dynamical system. We have adopted the Lorenz `96 system as a test problem and solved for the above operators. These operators exhibit complex behaviors, which are unlikely to be captured by traditional modeling approaches in Mori--Zwanzig analysis. The nontrivial generalized fluctuation-dissipation relationship, which relates the memory kernel with the two-time correlation statistics of the orthogonal dynamics, was numerically verified as a validation of the solved operators. Here we present numerical evidence that the generalized Langevin equation, a key construct in the Mori--Zwanzig formalism, is more advantageous in predicting the evolution of the reduced set of observables than the conventional approximate Koopman operators.

97 MATHEMATICS AND COMPUTING↗

Comparison of measured and calculated velocity profiles of a laminar incompressible free jet at low Reynolds numbers

A comparison of the measured and calculated velocity profiles of a laminar, incompressible, low Reynolds number jet is presented. The experimental jet was produced by a nozzle which consists of a porous metal plate covering the end of a pipe. This nozzle produces a uniform exit velocity profile at Reynolds numbers well below those at which conventional contoured nozzles are completely filled by the boundary layer. A jet mixing analysis based on the boundary-layer equations accurately predicted the velocity field for each test condition. The Reynolds number based on nozzle diameter ranged from 50 to 1000 with jet exit velocity either 30 or 61 m/s (100 or 200 ft/sec).

Greene, G. C.↗

Ductility normalized-strainrange partitioning life relations for creep-fatigue life predictions

Procedures based on Strainrange Partitioning (SRP) are presented for estimating the effects of environment and other influences on the high temperature, low cycle, creep fatigue resistance of alloys. It is proposed that the plastic and creep, ductilities determined from conventional tensile and creep rupture tests conducted in the environment of interest be used in a set of ductility normalized equations for making a first order approximation of the four SRP inelastic strainrange life relations. Different levels of sophistication in the application of the procedures are presented by means of illustrative examples with several high temperature alloys. Predictions of cyclic lives generally agree with observed lives within factors of three.

Halford, G. R.↗

Review of research on wave mean flow interactions using FGGE data

Comparison is made between the conventional Eulerian diagnostics of wave mean flow interactions in the atmosphere and the diagnostics introduced by Andrews and McIntyre (1976). In the latter, the meridional circulation is represented by a residual circulation, and the eddy torque in the zonal momentum equation by the Eliassen-Palm (1960) flux divergence (or equivalently, by the poleward eddy flux of geostrophic potential vorticity). It is found that, while the new diagnostics are useful in studying stratospheric warmings and transports of conservative quantities, the conventional diagnostics are more useful in studying global energetics and wave mean flow interactions in the troposphere and lower stratosphere. Case studies diagnosed with FGGE IIIb data are presented to illustrate this point. Kung and Tanaka's (1983) comparisons of the atmospheric energy cycle for SOP-1 and SOP-2, estimated with the use of the ECMWF and GFDL FGGE IIIb data bases, are used to assess the uncertainty in calculations of energetics based on the use of FGGE IIIb data. These results demonstrate the high degree of model dependence in the FGGE IIb data sets.

Pfeffer, R. L.↗

A new constitutive equation for elastomers

A new mathematical approach for quantifying the mechanical properties of elastomeric materials under biaxial loads is presented. Specific equations relating principal strains and principal true stresses for a homogeneous, isotropic, and elastic material are proposed that resemble the conventional Hooke's law of linear elasticity. The predicted stresses are compared to those from three different sets of experimental data and to stresses from three different theories based on Rivlin's work-of-deformation approach. The proposed approach is considered to be of benefit to design engineers involved in a broad range of rubber products.

Erickson, Larry↗

Aerodynamic shape optimization using control theory

Aerodynamic shape design has long persisted as a difficult scientific challenge due its highly nonlinear flow physics and daunting geometric complexity. However, with the emergence of Computational Fluid Dynamics (CFD) it has become possible to make accurate predictions of flows which are not dominated by viscous effects. It is thus worthwhile to explore the extension of CFD methods for flow analysis to the treatment of aerodynamic shape design. Two new aerodynamic shape design methods are developed which combine existing CFD technology, optimal control theory, and numerical optimization techniques. Flow analysis methods for the potential flow equation and the Euler equations form the basis of the two respective design methods. In each case, optimal control theory is used to derive the adjoint differential equations, the solution of which provides the necessary gradient information to a numerical optimization method much more efficiently then by conventional finite differencing. Each technique uses a quasi-Newton numerical optimization algorithm to drive an aerodynamic objective function toward a minimum. An analytic grid perturbation method is developed to modify body fitted meshes to accommodate shape changes during the design process. Both Hicks-Henne perturbation functions and B-spline control points are explored as suitable design variables. The new methods prove to be computationally efficient and robust, and can be used for practical airfoil design including geometric and aerodynamic constraints. Objective functions are chosen to allow both inverse design to a target pressure distribution and wave drag minimization. Several design cases are presented for each method illustrating its practicality and efficiency. These include non-lifting and lifting airfoils operating at both subsonic and transonic conditions.

Reuther, James↗

On the Retrieval of Lightning Radio Sources from Time-of-Arrival Data

We examine the problem of retrieving three-dimensional lightning locations from radio frequency Time-Of-Arrival (TOA) measurements. Arbitrary antenna locations are considered. By judiciously differencing measurements that are related to the location of the antennas and their excitation times, the problem is converted from the initial spherical nonlinear form to a system of linear equations. In the linear formalism, the source location and time-of-occurrence is viewed geometrically as an intersection of hyperplanes in the four-dimensional Minkowski space (x,y,z,t). The linear equations are solved to obtain explicit analytic expressions for the location and time variables. Retrieval errors are not interpreted with conventional Geometrical Dilution of Precision (GDOP) arguments as discussed by Holmes and Reedy (1951), but with more recent inversion analyses considered by Twomey (1977). Measurement errors are propagated analytically so that the specific effect of these errors on the solution is clarified. The sensitivity of the solution on the number of antennas used, antenna network geometry, source position, and measurement differencing schemes are discussed in terms of the eigenvalues of the linear system.

Koshak, William J.↗

Machine Learning Moment Closure Models for the Radiative Transfer Equation III: Enforcing Hyperbolicity and Physical Characteristic Speeds

This is the third paper in a series in which we develop machine learning (ML) moment closure models for the radiative transfer equation. In our previous work (Huang et al. in J Comput Phys 453:110941, 2022), we proposed an approach to learn the gradient of the unclosed high order moment, which performs much better than learning the moment itself and the conventional $P_N$ closure. However, while the ML moment closure has better accuracy, it is not able to guarantee hyperbolicity and has issues with long time stability. In our second paper (Huang et al., in: Machine learning moment closure models for the radiative transfer equation II: enforcing global hyperbolicity in gradient based closures, 2021. arXiv:2105.14410), we identified a symmetrizer which leads to conditions that enforce that the gradient based ML closure is symmetrizable hyperbolic and stable over long time. The limitation of this approach is that in practice the highest moment can only be related to four, or fewer, lower moments. In this paper, we propose a new method to enforce the hyperbolicity of the ML closure model. Motivated by the observation that the coefficient matrix of the closure system is a lower Hessenberg matrix, we relate its eigenvalues to the roots of an associated polynomial. Here, we design two new neural network architectures based on this relation. The ML closure model resulting from the first neural network is weakly hyperbolic and guarantees the physical characteristic speeds, i.e., the eigenvalues are bounded by the speed of light. The second model is strictly hyperbolic and does not guarantee the boundedness of the eigenvalues. Several benchmark tests including the Gaussian source problem and the two-material problem show the good accuracy, stability and generalizability of our hyperbolic ML closure model.

97 MATHEMATICS AND COMPUTING↗