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At least 271 records · Page 15

Multigrid Reduction in Time for Chaotic and Hyperbolic Problems (Final Report)

The coming massive parallelism of exascale computing presents a pressing challenge for the many DOE simulations of time-dependent partial differential equations (PDEs), which typically use traditional sequential time stepping methods. Since this traditional approach is inherently serial, it presents a sequential bottleneck when moving to exascale computing, because future performance gains will come through greater concurrency, not faster clock speeds. Thus, the goal of this work is to research parallelism in time, i.e., methods that compute multiple time values simultaneously, not sequentially. The focus will be on hyperbolic and chaotic problems of interest to DOE, with the goal of enabling scalable simulations of time-dependent hyperbolic and chaotic problems on future architectures. The chosen methodology for solving these problems parallel-in-time is multigrid, because multigrid (when it works) is a powerful, optimal, and scalable solver for discretized PDEs. Multigrid is already commonly used in many DOE simulations for scalably and optimally solving space-only PDE problems. The areas of hyperbolic and chaotic problems are chosen because of their relevance to problems of programmatic interest to DOE. However, these problems are also well-known to be difficult for parallel-in-time methods, with the most common method, parareal, diverging in many cases. The current state of-the-art for parallel-in-time at LLNL is the multigrid reduction in time (MGRIT) XBraid package, which also struggles for such problems, while still showing some improvement over parareal. In summary, new methods are needed for an efficient parallel-in-time scheme for hyperbolic and chaotic problems, and this work shall research promising new multigrid methods in this area. In particular, this work shall continue researching the directions from the current collaboration with Dr. Falgout, which are laid out in the work Toward Parallel in Time for Chaotic Dynamical Systems and showed the first known results of a parallel-in-time speedup for a chaotic problem. This work outlines two key improvements to XBraid for chaotic problems, the so-called “theta” and “delta-correction” methods. Here, these two improvements will be further researched and improved (including with a new relaxation method inspired by on Least Squares Shadowing (LSS)) and explored for more complicated problems.

97 MATHEMATICS AND COMPUTING↗

Observation of Vibrational Relaxation Dynamics in X(sup 3)Sigma(sup -)(sub g) Oxygen Following Stimulated Raman Excitation to the v=1 Level: Implications for the RELIEF Flow Tagging Technique

The vibrational relaxation of ground-state molecular oxygen (O2, X(sup 3)Sigma(sup -)(sub g)) has been observed, following stimulated Raman excitation to the first excited vibrational level (v=1). Time delayed laser-induced fluorescence probing of the ro-vibrational population distribution was used to examine the temporal relaxation behavior. In the presence of water vapor, the relaxation process is rapid, and is dominated by near-resonant vibrational energy exchange between the v=1 level of O2 and the n2 bending mode of H2O. In the absence of H2O, reequilibration proceeds via homogeneous vibrational energy transfer, in which a collision between two v=1 O2 molecules leaves one molecule in the v=2 state and the other in the v=0 state. Subsequent collisions between molecules in v=1 and v>1 result in continued transfer of population up the vibrational ladder. The implications of these results for the RELIEF flow tagging technique are discussed.

Diskin, Glenn S.↗

MFC 5.0: An exascale many-physics flow solver

Many problems of interest in engineering, medicine, and the fundamental sciences rely on high-fidelity flow simulation, making performant computational fluid dynamics solvers a mainstay of the open-source software community. Previous work MFC 3.0 was made a published, documented, and open-source solver via Bryngelson et al. Comp. Phys. Comm. (2021) with numerous physical features, numerical methods, and scalable infrastructure. MFC 5.0 is a significant update to MFC 3.0, featuring a broad set of well-established and novel physical models and numerical methods, as well as the introduction of GPU and APU (or superchip) acceleration. Here, we exhibit state-of-the-art performance and ideal scaling on the first two exascale supercomputers, OLCF Frontier and LLNL El Capitan. Combined with MFC’s single-accelerator performance, MFC achieves exascale computation in practice, and achieved the largest-to-date public CFD simulation at 200 trillion grid points as a 2025 ACM Gordon Bell Prize finalist. New physical features include the immersed boundary method, N-fluid phase change, Euler–Euler and Euler–Lagrange sub-grid bubble models, fluid-structure interaction, hypo- and hyper-elastic materials, chemically reacting flow, two-material surface tension, magnetohydrodynamics (MHD), and more. Numerical techniques now represent the current state-of-the-art, including general relaxation characteristic boundary conditions, WENO variants, Strang splitting for stiff sub-grid flow features, and low Mach number treatments. Weak scaling to tens of thousands of GPUs on OLCF Summit and Frontier and LLNL El Capitan achieves efficiencies within 5% of ideal to over 90% of their respective system sizes. Strong scaling results for a 16-times increase in device count show parallel efficiencies over 90% on OLCF Frontier. MFC’s software stack has undergone further improvements, including continuous integration, which ensures code resilience and correctness through over 300 regression tests; metaprogramming, which reduces code length while maintaining performance portability; and code generation for computing chemical reactions

Computational fluid dynamics↗

Sintering of Lunar and Simulant Glass

Most oxygen-extraction techniques are temperature-dependent, with higher temperatures resulting in higher oxygen yield. An example is hydrogen reduction, in which the optimum process temperature is 1050 C. However, glass-rich lunar soil begins to show the effects of sintering at temperatures of 900 C or lower. Sintering welds particles together due to viscous relaxation of the glass in the sample. One approach to avoid problems related to sintering, such as difficulty in removing waste material from the reactor, is to keep the soil in motion. One of several methods being studied to accomplish this is fluidized-bed processing techniques, in which the grains are kept in motion by the action of flowing reductant gas. The spent material can be removed from the chamber while still fluidized, or the fluidizing motion can continue until the material has cooled below approx. 500 C. Until end-to-end prototypes are built that can remove the heated soil, the most practical option is to keep the bed fluidized while cooling the waste material. As ISRU technology advances, another option will become valuable, which is to intentionally sinter the material to a great enough extent that it becomes a brick. The free iron in lunar soil is magnetic, and ferromagnetic bricks can be manipulated by robotic systems using electromagnetic end effectors. Finally, if an electromagnetic field is applied to the soil while the brick is being formed, the brick itself will become a magnet. This property can be used to create self-aligning bricks or other building materials that do not require fasteners. Although sintering creates a challenge for early lunar surface systems, knowledge gained during prototype development will be valuable for the advanced lunar outpost.

Cooper, Bonnie L.↗

Peak Pc Prediction in Conjunction Analysis: Conjunction Assessment Risk Analysis

Satellite conjunction risk typically evaluated through the probability of collision (Pc). Considers both conjunction geometry and uncertainties in both state estimates. Conjunction events initially discovered through Joint Space Operations Center (JSpOC) screenings, usually seven days before Time of Closest Approach (TCA). However, JSpOC continues to track objects and issue conjunction updates. Changes in state estimate and reduced propagation time cause Pc to change as event develops. These changes a combination of potentially predictable development and unpredictable changes in state estimate covariance. Operationally useful datum: the peak Pc. If it can reasonably be inferred that the peak Pc value has passed, then risk assessment can be conducted against this peak value. If this value is below remediation level, then event intensity can be relaxed. Can the peak Pc location be reasonably predicted?

Operations↗

Domain decomposition methods for the parallel computation of reacting flows

Domain decomposition is a natural route to parallel computing for partial differential equation solvers. Subdomains of which the original domain of definition is comprised are assigned to independent processors at the price of periodic coordination between processors to compute global parameters and maintain the requisite degree of continuity of the solution at the subdomain interfaces. In the domain-decomposed solution of steady multidimensional systems of PDEs by finite difference methods using a pseudo-transient version of Newton iteration, the only portion of the computation which generally stands in the way of efficient parallelization is the solution of the large, sparse linear systems arising at each Newton step. For some Jacobian matrices drawn from an actual two-dimensional reacting flow problem, comparisons are made between relaxation-based linear solvers and also preconditioned iterative methods of Conjugate Gradient and Chebyshev type, focusing attention on both iteration count and global inner product count. The generalized minimum residual method with block-ILU preconditioning is judged the best serial method among those considered, and parallel numerical experiments on the Encore Multimax demonstrate for it approximately 10-fold speedup on 16 processors.

Keyes, David E.↗

High-Sensitivity, Broad-Range Vacuum Gauge Using Nanotubes for Micromachined Cavities

A broad-range vacuum gauge has been created by suspending a single-walled carbon nanotube (SWNT) (metallic or semiconducting) in a Schottky diode format or in a bridge conductor format, between two electrically charged mesas. SWNTs are highly sensitive to molecular collisions because of their extremely small diameters in the range of 1 to 3 nanometers. The measurement parameter will be the change in conductivity of SWNT due to decreasing rate of molecular collisions as the pressure inside a chamber decreases. The rate of heat removal approaches a saturation limit as the mean free path (m.f.p.) lengths of molecules increase due to decreasing pressure. Only those sensing elements that have a long relaxation time can produce a measureable response when m.f.p. of molecules increases (or time between two consecutive collisions increases). A suspended SWNT offers such a capability because of its one-dimensional nature and ultrasmall diameter. In the initial approach, similar architecture was used as that of a SWNT-Schottky diode that has been developed at JPL, and has its changing conductivity measured as the test chamber is pumped down from atmospheric pressure to high vacuum (10(exp -7) Torr). Continuous response of decreasing conductivity has been measured as a function of decreasing pressure (SWNT is a negative thermal coefficient material) from atmosphere to less than 10(exp -6) Torr. A measureable current change in the hundreds of nA range has been recorded in the 10(exp -6) Torr regime.

Manohara, Harish↗

Coupled valence carrier and core-exciton dynamics in WS 2 probed by few-femtosecond extreme ultraviolet transient absorption spectroscopy

Few-femtosecond extreme ultraviolet (XUV) transient absorption spectroscopy, performed with optical 500-1000 nm supercontinuum and broadband XUV pulses (30-50 eV), simultaneously probes dynamics of photoexcited carriers in WS$_{2}$ at the W O$_3$ edge (37-45 eV) and carrier-induced modifications of core-exciton absorption at the W N$_{6,7}$ edge (32-37 eV). Access to continuous core-to-conduction band absorption features and discrete core-exciton transitions in the same XUV spectral region in a semiconductor provides a novel means to investigate the effect of carrier excitation on core-exciton dynamics. The core-level transient absorption spectra, measured with either pulse arriving first to explore both core-level and valence carrier dynamics, reveal that core-exciton transitions are strongly influenced by the photoexcited carriers. A $1.2\pm0.3$ ps hole-phonon relaxation time and a $3.1\pm0.4$ ps carrier recombination time are extracted from the XUV transient absorption spectra from the core-to-conduction band transitions at the W O$_{3}$ edge. Global fitting of the transient absorption signal at the W N$_{6,7}$ edge yields $\sim 10$ fs coherence lifetimes of core-exciton states and reveals that the photoexcited carriers, which alter the electronic screening and band filling, are the dominant contributor to the spectral modifications of core-excitons and direct field-induced changes play a minor role. This work provides a first look at the modulations of core-exciton states by photoexcited carriers and advances our understanding of carrier dynamics in metal dichalcogenides.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

The evolution of tectonic features on Ganymede

The bands of bright resurfaced terrain on Ganymede are probably broad grabens formed by global expansion and filled with deposits of ice. Grooves within the bands are thought to be extensional features formed during the same episode of expansion. The crust of Ganymede is modeled as a viscoelastic material subjected to extensional strain. With sufficiently high strain rates and stresses, deep normal faulting will occur, creating broad grabens that may then be filled. Continuing deformation at high strain rates and stresses will cause propagation of deep faults up into the flood deposits and normal faulting at the surface, while lower strain rates and stresses will cause formation of open extension fractures or, if the crustal strength is very low, grabens at the surface. The spacing between adjacent fractures may reflect the geothermal gradient at the time of deformation. Surface topography resulting from fracturing and normal faulting will decay with time as a result of viscous relaxation and mass-wasting.

Squyres, S. W.↗

Transonic flow calculations

The development of relaxation methods to calculate transonic flows is discussed. Rather accurate predictions can be made for a number of flows of interest using the transonic potential flow equation, which may be derived from the Euler equations for inviscid compressible flow by introducing the assumption that the flow is irrotational. Once the choice of a mathematical model has been settled, the numerical procedure for actually computing a solution contains two main elements: the construction of a discrete approximation which converges to the solution of the continuous problem in the limit as the mesh width is reduced to zero, and the solution of the resulting set of nonlinear difference equations by a convergent iterative scheme. The choice of an appropriate coordinate system and its influence on the accuracy of the discrete approximation is discussed. Several applications of the general method are described.

Jameson, A.↗

Evolutionary sequences of very hot, low-mass, accreting white dwarfs with application to symbiotic variables and ultrasoft/supersoft low-luminosity x-ray sources

We present the first detailed model results of quasi-static evolutionary sequences of very hot low-mass white dwarfs accreting hydrogen-rich material at rates between 1 x 10(exp -7) and 1 x 10(exp -9) solar mass/yr. Most of the sequences were generated from starting models whose core thermal structures were not thermally relaxed in the thermal pulse cycle-averaged sense of an asymptotic giant branch stellar core. Hence, the evolution at constant accretion rate was not invariably characterized by series of identical shell flashes. Sequences exhibiting stable steady state nuclear burning at the accretion supply rate as well as sequences exhibiting recurrent thermonuclear shell flashes are presented and discussed. In some cases, the white dwarf accretors remain small (less than 10(exp 11) cm) and very hot even during the shell flash episode. They then experience continued but reduced hydrogen shell burning during the longer quiescent intervals while their surface temperatures increase both because of compressional heating and envelope structure readjustment in response to accretion over thousands of years. Both accretion and continued hydrogen burning power these models with luminosities of a few times 10(exp 37) ergs/s. We suggest that the physical properties of these model sequences are of considerable relevance to the observed outburst and quiescent behavior of those symbiotic variables and symbiotic novae containing low-mass white dwarfs. We also suggest that our models are relevant to the observational characteristics of the growing class of low-luminosity, supersoft/ultrasoft X-ray sources in globular clusters, and the Magellanic Clouds.

Sion, Edward M.↗

Initial development of a method for correlating indentation test results to damage accumulation in high temperature structural materials

This report describes an experimental approach based on microindentation creep or relaxation tests for assessing the remaining creep life of a sample material. The objective for this experimental program is to complement the development of passively loaded in situ surveillance specimens. These surveillance specimens could be placed in future advanced reactors to assess the degradation of structural properties, primary creep and creep-fatigue life, when the material is exposed to actual reactor operating conditions. The specimens and the corresponding indentation test protocol could form the basis of a structural health monitoring program designed to ensure the safe continued operation of the component given the relatively unknown effect of the reactor coolant chemistry, radiation exposure, and other environmental effects on the material properties of the constituent structural materials.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Multi-Level Adaptive Techniques (MLAT) for singular-perturbation problems

The multilevel (multigrid) adaptive technique, a general strategy of solving continuous problems by cycling between coarser and finer levels of discretization is described. It provides very fast general solvers, together with adaptive, nearly optimal discretization schemes. In the process, boundary layers are automatically either resolved or skipped, depending on a control function which expresses the computational goal. The global error decreases exponentially as a function of the overall computational work, in a uniform rate independent of the magnitude of the singular-perturbation terms. The key is high-order uniformly stable difference equations, and uniformly smoothing relaxation schemes.

Brandt, A.↗

Quantum Zeno Control of Superconducting Qubit Coherence

The Quantum Zeno Effect (QZE) dictates how the dynamics of a quantum system can be modified through continuous or discrete measurements [1]. It has gained increasing attention in quantum computing community in recent years, both due to its inevitable implications for qubit readout as well as for its promise for enabling new methods of quantum state control such as reservoir engineering and Zeno-dragging. Here, we investigate Zeno effects implemented via weak measurements for controlling superconducting-qubit coherence during gate and readout operations in a multi-qubit setup. Building on prior observations [2] that measurement backaction can both suppress and enhance qubit relaxation, we predict and measure QZE-altered qubit coherence times by manipulating the spectral overlap of qubit spectrum with background noise sources. We also discuss modifications and opportunities for controllable QZE due to anharmonic effects in multi-level superconducting atoms. [1] S. Greenfield, A. Kamal, J. Dressel, E. Levenson-Falk, arXiv:2506.12679 (2025) [2] Thorbeck, Z. Xiao, L. Govia, A. Kamal, Phys. Rev. Lett. 132, 090602 (2024)

Seidel, Olivia [Texas U., Arlington; Fermilab]↗

Metabolic alterations induced in cultured skeletal muscle by stretch-relaxation activity

Muscle cells differentiated in vitro are repetitively stretched and relaxed in order to determine the presence of short- and long-term alterations occurring in glucose uptake and lactate efflux that are similar to the metabolic alterations occurring in stimulated organ-cultured muscle and in vivo skeletal muscle during the active state. It is observed that whereas mechanical stimulation increases these metabolic parameters within 4-6 h of starting activity, unstimulated basal rates in control cultures also increase during this period of time, and by 8 h, their rates have reached or exceeded the rates in continuously stimulated cells. Measurements of these parameters in media of different compositions show that activity-induced long-term alterations in the parameters occur independently of growth factors in serium and embryo extracts.

Hatfaludy, Sophia↗

NASA/University JOint VEnture (JOVE) Program: Transverse Shear Moduli Using the Torsional Responses of Rectangular Laminates

The first year included a study of the non-visible damage of composite overwrapped pressure vessels with B. Poe of the Materials Branch of Nasa-Langley. Early determinations showed a clear reduction in non-visible damage for thin COPVs when partially pressurized rather than unpressurized. Literature searches on Thicker-wall COPVs revealed surface damage but clearly visible. Analysis of current Analytic modeling indicated that that current COPV models lacked sufficient thickness corrections to predict impact damage. After a comprehensive study of available published data and numerous numerical studies based on observed data from Langley, the analytic framework for modeling the behavior was determined lacking and both Poe and Bogan suggested any short term (3yr) result for Jove would be overly ambitious and emphasis should be placed on transverse shear moduli studies. Transverse shear moduli determination is relevant to the study of fatigue, fracture and aging effects in composite structures. Based on the techniques developed by Daniel & Tsai, Bogan and Gates determined to verify the results for K3B and 8320. A detailed analytic and experimental plan was established and carried out that included variations in layup, width, thickness, and length. As well as loading rate variations to determine effects and relaxation moduli. The additional axial loads during the torsion testing were studied as was the placement of gages along the composite specimen. Of the proposed tasks, all of tasks I and 2 were completed with presentations given at Langley, SEM conferences and ASME/AIAA conferences. Sensitivity issues with the technique associated with the use of servohydraulic test systems for applying the torsional load to the composite specimen limited the torsion range for predictable and repeatable transverse shear properties. Bogan and Gates determined to diverge on research efforts with Gates continuing the experimental testing at Langley and Bogan modeling the apparent non-linear behavior at low torque & angles apparent from the tests.

Bogan, Sam↗

Neumann Series in MGS-GMRES and Inner-Outer Iterations: Preprint

A low-synchronization MGS-GMRES Krylov solver employing a truncated Neumann series for the inverse compact WY MGS correction matrix T is presented. A corollary to the backward stability result of Paige et al. [1] establishes that T = I - Lk is sufficient for convergence of GMRES when kLkp F = O("p)_p F (B), where the strictly lower triangular matrix L is defined by the inner products of Krylov vectors V T 1:k-2 vk-1. The preconditioner is the classical Ruge-Stuben AMG algorithm with compatible relaxation and inner-outer Gauss-Seidel smoother. This smoother may also be expressed as a truncated Neumann series. Drop tolerances are applied to the lower triangular matrices arising in the smoother in order to reduce the number of non-zeros and accelerate the time to solution. The number of small matrix elements are found to increase from fine to coarse levels and thus the effciency gains are greater for large problems with many levels in the V -cycle. The solver is applied to the pressure continuity equation for the incompressible Navier-Stokes equations. Unlike the inner-outer iteration, the solver convergence rate with the standard Gauss-Seidel smoother deteriorates with dropping. The solver compute time is reduced by up to 50% without a change in the convergence rate.

Gauss-Seidel smoother↗

Annealing Effects on Creep and Rupture of Polycrystalline Alumina-Based Fibers

Continuous-length polycrystalline aluminum-oxide-based fibers are being considered as reinforcements for advanced high-temperature composite materials. For these fine-grained fibers, basic issues arise concerning grain growth and microstructural instability during composite fabrication and the resulting effects on the fiber's thermo-mechanical properties. To examine these issues, commercially available Nextel 610 (alumina) and Altex (alumina-silica) fibers were annealed at 1100 and 1300 C for up to 100 hr in air. Changes in fiber microstructure, fiber tensile creep, stress rupture, and bend stress relaxation (BSR) that occurred with annealing were then determined. BSR tests were also used to compare as-received and annealed fibers to other polycrystalline oxide fibers. Annealing was shown to have a significant effect, particularly on the Altex fiber, and caused it to have increased creep resistance.

Goldsby, J. C.↗