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At least 91 records · Page 5

Physics-aware adaptive checkpointing with shadow systems for nonlinear PDE simulations

Large-scale simulations of nonlinear partial differential equations (PDEs) that exhibit strongly transient behavior and pattern-forming dynamics produce enormous amounts of data, which, even with modern storage systems, cannot be stored for later curation. Current I/O strategies either write dense time series of snapshots, which is often prohibitive in I/O and storage, or store a few checkpoints that enable restart but incur expensive recomputation cost and provide no control over post-restart error growth, especially when lossy compression is used. Moreover, most, if not all, existing strategies take no account of the actual physical state of the system. Here, we present a simple physics-aware I/O framework in which a low-cost shadow system adaptively triggers lossy checkpoints when the shadow system deviates from the fine-scale simulation. The shadow system can be a coarsened replica of the fine-scale simulation that evolves concurrently. This means that checkpoints are taken based on the physical state of the system: fewer checkpoints are triggered when the system is quiescent while more are taken when the system undergoes a rapid change. This type of behavior is observed in many systems such as Brusselator and FitzHugh–Nagumo. We illustrate that our framework maintains stable restarts, keeps fine-scale restart errors bounded by shadow errors, and reconstructs the time history with significantly lower error and storage than interpolating fixed-interval snapshots, with low-cost shadow replay and modest online synchronization overhead.

Gong, Qian [ORNL] (ORCID:0000000235704142)↗

Characterization of admissible quasisymmetries

We solve ‘half’ the problem of finding three-dimensional quasisymmetric magnetic fields that do not necessarily satisfy magnetohydrostatic force balance. This involves determining which hidden symmetries are admissible as quasisymmetries, and then showing explicitly how to construct quasisymmetric magnetic fields given an admissible symmetry. The admissibility conditions take the form of a system of overdetermined nonlinear partial differential equations involving second derivatives of the symmetry's infinitesimal generator.

Burby, J. W. (ORCID:0000000317727647)↗

Scalable multilevel Monte Carlo methods exploiting parallel redistribution on coarse levels

Here, we study an element agglomeration coarsening strategy that requires data redistribution at coarse levels when the number of coarse elements becomes smaller than the number of MPI processes used on the finest level. The overall procedure generates coarse elements (general unstructured unions of fine grid elements) within the framework of element-based algebraic multigrid methods (or AMGe) studied previously. The AMGe-generated coarse spaces have the ability to exhibit approximation properties of the same order as the fine-level spaces since by construction they contain the piecewise polynomials of the same order as on the fine level. These approximation properties are key for the successful use of AMGe in multilevel solvers for nonlinear partial differential equations as well as for multilevel Monte Carlo (MLMC) simulations. The ability to coarsen without being constrained by the number of MPI processes, as described in the present paper, allows to improve the scalability of these solvers as well as the overall MLMC method. The paper illustrates this latter fact with detailed scalability study of MLMC simulations applied to model Darcy equations with a stochastic log-normal permeability field.

AMGe↗

Quantum Computing Strategy 2026

Quantum computing (QC) is a rapidly maturing technology with the potential for revolutionary impacts on stockpile stewardship science and national security. Recent developments in fault-tolerant architectures have compressed vendor roadmaps, and predictions of a production-ready quantum computer by the mid-2030s are becoming increasingly credible. This strategy provides a roadmap for integrating QC into the Advanced Simulation and Computing (ASC) program by investing in four strategic focus areas: 1. Develop Capabilities in Mission-Relevant Quantum Applications: ASC will prioritize developing quantum-ready applications in mission areas that have shown significant promise for quantum advantage, including simulations of materials in extreme environments, nuclear dynamics, solving linear and nonlinear partial differential equations, and uncertainty quantification. These applications directly support stockpile stewardship science and modernization objectives. 2. Conduct R&D in Algorithms, Software, and Hardware: Sustained research into quantum algorithms, robust software tools, and quantum hardware is essential. ASC will develop efficient quantum algorithms; invest in quantum compilers, debuggers, and performance tools; and explore specialized quantum hardware tailored to NNSA’s unique requirements. 3. Engage with Vendors and Partners: Early and active collaboration with commercial quantum hardware vendors and academic partners is critical. Through testbeds, co-design agreements, and quantum demonstration facilities, ASC will influence hardware design, gain early access to emerging technologies, and ensure that quantum platforms evolve to meet mission needs. 4. Build Knowledge, Experience, and Workforce: Expanding and upskilling the quantum-trained workforce is essential to long-term success. This includes hiring, internal training, university outreach, and postdoctoral support to ensure ASC maintains the expertise required to operate, program, and integrate quantum systems as they become available. While quantum computing will never replace classical computing, it has the potential to solve certain problems with speed and accuracy that would be unachievable using any conceivable classical high-performance computing (HPC) system. By investing strategically in QC, ASC will help propel the emergent QC industry, maintain U.S. technological leadership, ensure mission readiness, and position itself to rapidly adopt quantum technologies as they mature.

97 MATHEMATICS AND COMPUTING↗

Nonlinear vibration of beams

Nonlinear partial differential equations of two variables for vibratory motions of beam

PARTIAL DIFFERENTIAL EQUATION↗

Transient, compressible heat and mass transfer in porous media using the strongly implicit iteration procedure.

Coupled nonlinear partial differential equations describing heat and mass transfer in a porous matrix are solved in finite difference form with the aid of a new iterative technique (the strongly implicit procedure). Example numerical results demonstrate the characteristics of heat and mass transport in a porous matrix such as a charring ablator. It is emphasized that multidimensional flow must be considered when predicting the thermal response of a porous material subjected to nonuniform boundary conditions.

Curry, D. M.↗

Two-demensional analysis of heat and mass transfer in porous media using the strongly implicit procedure

Numerical results of the heat and mass transfer in a porous matrix are presented. The coupled, nonlinear partial differential equations describing this physical phenomenon are solved in finite difference form for two dimensions, using a new iterative technique (the strongly implicit procedure). The influence of the external environment conditions (heating and pressure) is shown to produce two-dimensional flow in the porous matrix. Typical fluid and solid temperature distributions in the porous matrix and internal pressure distributions are presented.

Curry, D. M.↗

A numerical calculation of outward propagation of solar disturbances

The responses of the solar atmosphere due to an outward propagation shock are examined by employing the Lax-Wendroff method to solve the set of nonlinear partial differential equations in the model of the solar atmosphere. It is found that this theoretical model can be used to explain the solar phenomena of surge and spray. A criterion to discriminate the surge and spray is established and detailed information concerning the density, velocity, and temperature distribution with respect to the height and time is presented. The complete computer program is also included.

Wu, S. T.↗

A technique for accelerating iterative convergence in numerical integration, with application in transonic aerodynamics

A technique is described for the efficient numerical solution of nonlinear partial differential equations by rapid iteration. In particular, a special approach is described for applying the Aitken acceleration formula (a simple Pade approximant) for accelerating the iterative convergence. The method finds the most appropriate successive approximations, which are in a most nearly geometric sequence, for use in the Aitken formula. Simple examples are given to illustrate the use of the method. The method is then applied to the mixed elliptic-hyperbolic problem of steady, inviscid, transonic flow over an airfoil in a subsonic free stream.

Martin, E. D.↗

Remote sensing applied to numerical modelling

Progress and remaining difficulties in the construction of predictive mathematical models of large bodies of water as ecosystems are reviewed. Surface temperature is at present the only variable than can be measured accurately and reliably by remote sensing techniques, but satellite infrared data are of sufficient resolution for macro-scale modeling of oceans and large lakes, and airborne radiometers are useful in meso-scale analysis (of lakes, bays, and thermal plumes). Finite-element and finite-difference techniques applied to the solution of relevant coupled time-dependent nonlinear partial differential equations are compared, and the specific problem of the Biscayne Bay and environs ecosystem is tackled in a finite-differences treatment using the rigid-lid model and a rigid-line grid system.

Sengupta, S.↗

Pseudopotentials of Estabrook and Wahlquist, the geometry of solitons, and the theory of connections

The prolongation structure of Wahlquist and Estabrook is interpreted as a connection. In this way, some geometric insight might be provided for the description of those nonlinear partial differential equations which admit soliton solutions. A new geometric property - linked to the existence of an SL(2,R) connection - is proved for the solutions of the Korteweg-de Vries equation.

Hermann, R.↗

A technique for accelerating iterative convergence in numerical integration, with application in transonic aerodynamics

A technique is described for the efficient numerical solution of nonlinear partial differential equations by rapid iteration. In particular, a special approach is described for applying the Aitken acceleration formula (a simple Pade approximant) for accelerating the iterative convergence. The method finds the most appropriate successive approximations, which are in a most nearly geometric sequence, for use in the Aitken formula. Simple examples are given to illustrate the use of the method. The method is then applied to the mixed elliptic-hyperbolic problem of steady, inviscid, transonic flow over an airfoil in a subsonic free stream.

Martin, E. D.↗

Analysis of turbulent free jet hydrogen-air diffusion flames with finite chemical reaction rates

The nonequilibrium flow field resulting from the turbulent mixing and combustion of a supersonic axisymmetric hydrogen jet in a supersonic parallel coflowing air stream is analyzed. Effective turbulent transport properties are determined using the (K-epsilon) model. The finite-rate chemistry model considers eight reactions between six chemical species, H, O, H2O, OH, O2, and H2. The governing set of nonlinear partial differential equations is solved by an implicit finite-difference procedure. Radial distributions are obtained at two downstream locations of variables such as turbulent kinetic energy, turbulent dissipation rate, turbulent scale length, and viscosity. The results show that these variables attain peak values at the axis of symmetry. Computed distributions of velocity, temperature, and mass fraction are also given. A direct analytical approach to account for the effect of species concentration fluctuations on the mean production rate of species (the phenomenon of unmixedness) is also presented. However, the use of the method does not seem justified in view of the excessive computer time required to solve the resulting system of equations.

Sislian, J. P.↗

Galactic civilizations: Population dynamics and interstellar diffusion

The interstellar diffusion of galactic civilizations is reexamined by potential theory; both numerical and analytical solutions are derived for the nonlinear partial differential equations which specify a range of relevant models, drawn from blast wave physics, soil science, and, especially, population biology. An essential feature of these models is that, for all civilizations, population growth must be limited by the carrying capacity of the environment. Dispersal is fundamentally a diffusion process; a density-dependent diffusivity describes interstellar emigration. Two models are considered: the first describing zero population growth (ZPG), and the second which also includes local growth and saturation of a planetary population, and for which an asymptotic traveling wave solution is found.

Newman, W. I.↗

Most probable states in magnetohydrodynamics

A method is developed for selecting 'most probable' MHD states compatible with certain global constraints (e.g., the energy, the toroidal magnetic flux, the total toroidal electric current, or the magnetic helicity). These states occur as the solutions of nonlinear partial differential equations which are far simpler than the original MHD equations. The stabilized Z pinch is discussed by way of illustration of the theory of probable states.

Montgomery, D.↗

Iterative methods based upon residual averaging

Iterative methods for solving boundary value problems for systems of nonlinear partial differential equations are discussed. The methods involve subtracting an average of residuals from one approximation in order to arrive at a subsequent approximation. Two abstract methods in Hilbert space are given and application of these methods to quasilinear systems to give numerical schemes for such problems is demonstrated. Potential theoretic matters related to the iteration schemes are discussed.

Neuberger, J. W.↗