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At least 127 records · Page 7

Latent space dynamics identification for interface tracking with application to shock-induced pore collapse

Capturing sharp, evolving interfaces remains a central challenge in reduced-order modeling, especially when data is limited and the system exhibits localized nonlinearities or discontinuities. Here, we propose LaSDI-IT (Latent Space Dynamics Identification for Interface Tracking), a data-driven framework that combines low-dimensional latent dynamics learning with explicit interface-aware encoding to enable accurate and efficient modeling of physical systems involving moving material boundaries. At the core of LaSDI-IT is a revised autoencoder architecture that jointly reconstructs the physical field and an indicator function representing material regions or phases, allowing the model to track complex interface evolution without requiring detailed physical models or mesh adaptation. The latent dynamics are learned through linear regression in the encoded space and generalized across parameter regimes using Gaussian process interpolation with greedy sampling. We demonstrate LaSDI-IT on the problem of shock-induced pore collapse in high explosives, a process characterized by sharp temperature gradients and dynamically deforming pore geometries. The method achieves relative prediction errors below 9% across the parameter space, accurately recovers key quantities of interest such as pore area and hot spot formation, and matches the performance of dense training with only half the data. This latent dynamics prediction was 10 6 times faster than the conventional high-fidelity simulation, proving its utility for multi-query applications. These results highlight LaSDI-IT as a general, data-efficient framework for modeling discontinuity-rich systems in computational physics, with potential applications in multiphase flows, fracture mechanics, and phase change problems.

Gaussian process↗

Aeroelastic code comparison using the IEA 22MW reference turbine

Reference wind turbine designs and the associated aeroelastic models are widely used in both research and industry. Reference models representing future concepts are of particular interest. Current state of the art aeroelastic tools are relied upon to design the next generation of large wind turbines. However, modelling assumptions may be invalidated by upcoming very large turbines, and different aeroelastic tools may give inconsistent results. A 22MW turbine model has been defined as part of International Energy Agency (IEA) Wind Task 55 on Reference Wind Turbines and Farms to represent future turbines to be deployed in the 2030s. In this study, an aeroelastic model of this turbine has been created in four tools; Bladed, HAWC2, OpenFAST, and QBlade. Code comparisons are presented for steady state operation, linear stability analysis, and time domain power production simulations in steady and turbulent wind. Generally, the codes show a good agreement, but with some differences present in the linear stability analysis, periodic azimuthal variation, and time domain simulations. The models are a good basis for further study with the IEA 22MW turbine, and further code comparison exercises.

17 WIND ENERGY↗

Generalized Bayesian Monte Carlo Evaluation [Slides]

Bayesian Monte Carlo is a tool to address imperfect data & models, non-linear models, non-normal PDFs, and integration of differential and integral data. Simple propagation to criticality shows effects of new $\mathcal{L}$($β|z,γ$).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Identifying stochastic dynamics via finite expression methods

Modeling stochastic differential equations (SDEs) is crucial for understanding complex dynamical systems in various scientific fields. Recent methods often employ neural network-based models, which typically represent SDEs through a combination of deterministic and stochastic terms. However, these models usually lack interpretability and have difficulty in generalizing beyond their training domain. Here, this paper introduces the Finite Expression Method (FEX), a symbolic learning approach designed to derive interpretable mathematical representations of the deterministic component of SDEs. For the stochastic component, we integrate FEX with advanced generative modeling techniques to provide a comprehensive representation of SDEs. The numerical experiments on linear, nonlinear, and multidimensional SDEs demonstrate that FEX generalizes well beyond the training domain and delivers more accurate long-term predictions compared to neural network-based methods. The symbolic expressions identified by FEX not only improve prediction accuracy but also offer valuable scientific insights into the underlying dynamics of the systems.

Complex dynamical systems↗

Robust trajectory-constrained frequency control for microgrids considering model linearization error

Grid supportive modes integrated within inverter-based resources can improve the frequency response of renewable-rich microgrids. The synthesis of grid supportive modes to guarantee frequency trajectory constraints under a predefined disturbance set is challenging but essential. To tackle this challenge, a numerical optimal control (NOC)-based control synthesis methodology is proposed. Without loss of generality, a wind-diesel fed microgrid is studied, where we aim to design grid supportive functions in the wind turbine. In the control design, linearized models are used, and the linearization-induced errors are quantitatively analyzed by reachability and interval arithmetics and represented in the form of interval uncertainties. Then, the NOC problem can be formulated into a robust mixed-integer linear program. The control structure is strategically configured into two levels to realize online deployment. The proposed control is verified on the modified 33-node microgrid with a full-order three-phase nonlinear model in Simulink. In conclusion, the simulation results show the effectiveness of the proposed control paradigm and the necessity of considering linearization-induced uncertainty.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Theoretical study of various nonlinear phenomena in plasma systems and scaling of magneto-inertial-fusion targets

Plasma physics is an exciting field of study with a wide variety of nonlinear processes that come into play. Examples of such processes include the interaction of small-scale turbulence with large-scale plasma structures and the nonlinear saturation of plasma instabilities, for example those of magneto-hydrodynamical nature. During this Truman LDRD project, I studied a collection of nonlinear problems that are of interest to the field of plasma physics. This LDRD report summarizes four main research accomplishments. First, a new statistical model for describing inhomogeneous drift-wave turbulence inter- acting with zonal flows was developed. This new model includes the effects of nonlinear wave-wave collisions, which are expected to change the spectrum of the underlying DW turbulence and therefore the generation of zonal flows. Second, a new mathematical formalism was proposed to systematically apply the non- linear WKB approximation to general field theories, including those often used in fluid dynamics. This formalism represents an interesting tool for studying physical systems that show an explicit scale separation. Third, a weakly nonlinear model was developed to describe the magneto-Rayleigh-Taylor instability. This instability is of paramount importance to understand as it can reduce the performance of magnetic-inertial-fusion (MIF) platforms. The developed models captures the effects of harmonic generation and saturation of the linear growth of the instability. Finally, a framework was proposed for scaling magneto-inertial fusion (MIF) targets to larger pulsed-power drivers. From this framework, a set of scaling rules were derived that conserve the physical regimes of MIF systems when scaling up in peak current. By doing so, deleterious nonlinear processes that affect MIF performance may be kept at bay.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Geometric Interpretation of the Cluster Location Problem Part I: Theory

We present a new framing of the seismic location problem using principles drawn from differential geometry. Our interpretation relies upon the common assumption that travel times observed across a network are continuous, differentiable functions of source location. In consequence, travel‐time functions constitute a differentiable map between the source region and a Riemannian manifold. The manifold is said to be the image of the source region embedded in a generally high‐dimension travel‐time vector space. A cluster of events in the source region has an image of discrete points on the manifold, that, except in the simplest cases, cannot be viewed directly. However, it is possible to project the image of a cluster into a tangent space of the manifold for direct visualization. The projection operator can be computed directly from the data without a velocity model, but produces a distorted rendering of the cluster geometry. With a model we can predict the distortions and correct them to estimate cluster geometry. We develop these points with the simplest possible example, one for which direct visualization of the manifold is possible, using the example as an introduction to the relevant concepts from differential geometry in a familiar setting. The tangent space, a local linearization of the manifold, plays a key role. We develop a metric to estimate the limits of linearization, that is, to determine when the curvature of the manifold invalidates the linear assumption. We also examine the interplay of model error, inadequate network geometry, and pick error. We then generalize our results from the simple case to the general case of 3D source regions observed by general networks. Although we do suggest a new “project and correct” method for location, we do not develop it into a practical algorithm. In conclusion, our intention rather is to highlight new analytical methods grounded in differential geometry.

East Pacific Ocean Islands↗

Crustal Strain Rates in the Western United States and Their Relationship with Earthquake Rates

Abstract We present a suite of strain rate models for the western United States based on geologic and geodetic data. The geologic data consist of Quaternary fault-slip rates and the geodetic data consists of a new compilation of Global Positioning System (GPS) velocities derived from continuous, semicontinuous, and campaign measurements. We remove postseismic deformation from the GPS time series in order for our geodetic strain rate model to best capture the interseismic strain accumulation rate. We present models based on either geologic or geodetic data, but also create a hybrid model. Although there are some differences between the models, the large-scale features are the same, with the noticeable exception for the Pacific Northwest where interseismic strain is naturally more distributed than the long-term strain release. We also present a map of earthquake rate densities based on mainshocks, and the result has similar spatial features similar to the strain rate models (at least in the southwestern United States). We perform a general correlation analysis between strain rate and seismicity rate (south of Cascadia) and find a change in linearity between seismicity and strain rates from slow to faster deforming areas with seismicity rates relatively lower for the latter. The extent of that change depends a bit on assumptions made on the declustering and completeness of the catalog, but the finding of a change in slope is robust across the different strain rate models. Linearity for all areas is only expected when Gutenberg–Richter parameters and parameters involved in the conversion from strain to moment rate are uniform across the study area. We discuss these qualifications, but find no single satisfactory explanation for our observation. Moreover, when considering a rather short time and space, theoretical considerations of sampling from a power-law distribution actually predict there to be a power law instead of a linear relationship, generally consistent with our observation.

Geochemistry & Geophysics↗

Parallel transport dynamics for mixed quantum states with applications to time-dependent density functional theory

Direct simulation of the von Neumann dynamics for a general (pure or mixed) quantum state can often be expensive. One prominent example is the real-time time-dependent density functional theory (rt-TDDFT), a widely used framework for the first principle description of many-electron dynamics in chemical and materials systems. Practical rt-TDDFT calculations often avoid the direct simulation of the von Neumann equation, and solve instead a set of Schrödinger equations, of which the dynamics is equivalent to that of the von Neumann equation. However, the time step size employed by the Schrödinger dynamics is often much smaller. Here, in order to improve the time step size and the overall efficiency of the simulation, we generalize a recent work of the parallel transport (PT) dynamics for simulating pure states [An, Lin, Multiscale Model. Simul. 18, 612, 2020] to general quantum states. The PT dynamics provides the optimal gauge choice, and can employ a time step size comparable to that of the von Neumann dynamics. Going beyond the linear and near adiabatic regime in previous studies, we find that the error of the PT dynamics can be bounded by certain commutators between Hamiltonians, density matrices, and their derived quantities. Such a commutator structure is not present in the Schrödinger dynamics. We demonstrate that the parallel transport-implicit midpoint (PT-IM) method is a suitable method for simulating the PT dynamics, especially when the spectral radius of the Hamiltonian is large. The commutator structure of the error bound, and numerical results for model rt-TDDFT calculations in both linear and nonlinear regimes, confirm the advantage of the PT dynamics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Sequence-to-sequence neural networks for short-term electrical load forecasting in commercial office buildings

The U.S. power grid is transforming to become smarter, cleaner, and more effi- cient. This is leading to the addition of significant distributed variable renew- able generation. Due to the variable nature of renewable generation, the short- and long-term supply-demand imbalances are less predictable, and conventional approaches to mitigating the imbalance will not be efficient or cost-effective. To address this challenge, transactive control technologies have been proposed which balance energy generation and consumption with market activity and in- frastructural limitations. Transactive control requires the ability of individual end-use loads to express flexibility as a function of a transactive signal (e.g., price). Empirical gray- and black-box models have been widely used to express flexibility, and although these approaches are generally easy to construct and simple to use, they do not capture the non-linear behavior that some end-use loads represent . Machine learning approaches have been proposed to address this limitation. Although deep learning approaches for forecasting end-use loads have been explored, certain aspects of the application of deep models to load forecasting are not well understood. These aspects include how much training data is required, and how models should be structured and trained. To that end, this work explores how to approach applying deep recurrent neural networks to short-term electrical load forecasting with a case study of four commercial office buildings. We identify data requirements for training accurate models of whole building electricity use conditioned on outdoor temperature, provide insight into model hyperparameter sensitivity, and demonstrate how readily models can be generalized to unseen buildings.

Skomski, Elliott↗

Generalized Relationship Linking Water Balance and Vegetation Productivity across Site-to-Regional Scales

Evapotranspiration (ET) is a pivotal component in catchment-scale water balance and is essential for informed watershed management. Nevertheless, uncertainties in ET observation or modeling have been hindering effective water resources management. This study addresses this gap by establishing a robust, generalized linear relationship between ET and gross primary productivity (GPP) at the catchment scale. We test the linearity of the relationships between monthly GPP and ET data at 380 near-natural catchments across various climatic and landscape conditions in the contiguous U.S., yielding Pearson’s r ≥ 0.6 for 97% of the 380 catchments. We then develop a regionalization strategy to parameterize this GPP-ET relationship at the catchment scale by identifying and utilizing the linkages between the parameter values and extensively available hydroclimatic and landscape data. We demonstrate the efficacy of the proposed GPP-ET relationship and parameter regionalization strategy by their combined predictive capacity, where the predicted monthly GPP matches well with remote-sensing-based GPP product, achieving Kling-Gupta Efficient (KGE) values ≥ 0.5 for 92% of the catchments. In addition, we verify the relationship and its parameter regionalization at 35 AmeriFlux sites with KGE ≥ 0.5 for 25 sites, suggesting that the new relationship is transferable across the site, catchment, and regional scales. Furthermore, our findings are valuable for improving remote-sensing-based estimation of monthly ET and diagnosing coupled water–carbon simulations in land surface and Earth system models.

54 ENVIRONMENTAL SCIENCES↗

Generative Patch Priors for Practical Compressive Image Recovery

In this work, we propose the generative patch prior (GPP) that defines a generative prior for compressive image recovery, based on patch-manifold models. Unlike learned, image-level priors that are restricted to the range space of a pre-trained generator, GPP can recover a wide variety of natural images using a pre-trained patch generator. Additionally, GPP retains the benefits of generative priors like high reconstruction quality at extremely low sensing rates, while also being much more generally applicable. We show that GPP outperforms several unsupervised and supervised techniques on three different sensing models – linear compressive sensing with known, and unknown calibration settings, and the non-linear phase retrieval problem. Finally, we propose an alternating optimization strategy using GPP for joint calibration-and-reconstruction which performs favorably against several baselines on a real world, uncalibrated compressive sensing dataset. The code and models for GPP are available on github.

compressed sensing↗

Data for "Soil carbon dynamics during drying vs. rewetting: Importance of antecedent moisture conditions"

This dataset contains data used for the paper "Soil carbon dynamics during drying vs. rewetting: importance of antecedent moisture conditions". The Related References field will be updated with a full citation when available.Soil moisture influences soil carbon dynamics, including microbial growth and respiration. The response of such ‘soil respiration’ to moisture changes is generally assumed to be linear and reversible, i.e. to depend only on the current moisture state. Current models thus do not account for antecedent soil moisture conditions when determining soil respiration or the available substrate pool. We conducted a laboratory incubation to determine how the antecedent conditions of drought and flood influenced soil organic matter (SOM) chemistry, bioavailability, and respiration. We sampled soils from an upland coastal forest, Beaver Creek, WA USA, and subjected them to drying and rewetting treatments. For the drying treatment, field moist soils were saturated and then dried to 75, 50, 35, and 5 % saturation. In the rewetting treatment, field moist soils were air-dried and then rewet to 35, 50, 75, and 100 % saturation. We measured respiration and water extractable organic carbon (WEOC) concentrations and used 1H-NMR and FT-ICR-MS to characterize the WEOC pool across the treatments. The drying vs. wetting treatment strongly influenced SOM bioavailability, as rewet soils (with antecedent drought) had greater WEOC concentrations and respiration fluxes compared to the drying soils (with antecedent flood). In addition, air-dry soils had the highest WEOC concentrations, and the NMR-resolved peaks showed a strong contribution of protein groups in these soils. Both NMR and FT-ICR-MS analyses indicated increased contribution of complex aromatic groups/molecules in the rewet soils, compared to the drying soils. We suggest that drying introduced organic matter into the WEOC pool via desorption of aromatic molecules and/or by microbial cell lysis, and this stimulated microbial mineralization rates. Our work indicates that even short-term shifts in antecedent moisture conditions can strongly influence soil C dynamics at the core scale. The predictive uncertainties in current soil models may be reduced by a more accurate representation of soil water and C persistence that includes a mechanistic and quantitative understanding of the impact of antecedent moisture conditions.This dataset contains a compressed (.zip) archive of the data and R scripts used for this manuscript. The dataset includes files in .csv and .txt format, which can be accessed and processed using MS Excel or R. NMR data are provided as raw output data (accessed in Bruker TopSpin or MestreNova) as well as the MestreNova-processed files. This archive can also be accessed on GitHub at https://github.com/kaizadp/hysteresis_and_soil_carbon (DOI: 10.5281/zenodo.4432885).

1H-NMR↗

A Plasma Modeling Hierarchy and Verification Approach

This report reviews a hierarchy of formal mathematical models for describing plasma phenomena. Starting with the Boltzmann equation, a sequence of approximations and modeling assumptions can be made that progressively reduce to the equations for magnetohydrodynamics. Understanding the assumptions behind each of these models and their mathematical form is essential to appropriate use of each level of the hierarchy. A sequence of moment models of the Boltzmann equation are presented, then focused into a generalized three-fluid model for neutral species, electrons, and ions. This model is then further reduced to a two-fluid model, for which Braginskii described a useful closure. Further reduction of the two-fluid model yields a Generalized Ohm's Law model, which provides a connection to magnetohydrodynamic approaches. A verification approach based on linear plasma waves is presented alongside the model hierarchy, which is intended as an initial and necessary but not sufficient step for verification of plasma models within this hierarchy.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

HHL algorithm with mapping function and enhanced sampling for model predictive control in microgrids

Here, this paper presents a refined quantum Harrow Hassidim Lloyd (HHL) algorithm for microgrid control. The first novelty of the developed method is that a mapping shift function enables the original HHL algorithm to handle general linear equations with non-singular and indefinite matrix. Second, a method of Matrix Extension for Amplifying Sampling Probabilities of Intended Solution (ME-ASPI) is proposed to design the reformulated linear algebraic equations, allowing for improved sampling efficiency of the quantum tomography in the refined HHL algorithm. Then, we applied the method to solve the model predictive control (MPC) problem in nonlinear dynamical microgrids. Specifically, with the ME-ASPI method, the refined HHL algorithm can effectively obtain the intended partial optimal control inputs for MPC. The optimization of quadratic programming problem in each time step of MPC is transformed into a linear system problem, which is addressed by the proposed quantum solver through using only partial information, with the time complexity improved from $\mathscr{O}(\mathscr{N}^{2.37286})$ classically to $\mathscr{O}(\mathscr{N}^{2} log \mathscr{N}$ x $p$ log $p)$ in quantum. Numerical examples have validated the effectiveness of the refined HHL algorithm with the proposed mapping function and the ME-ASPI method. By leveraging quantum properties, the proposed method provides a hybrid quantum–classical framework for microgrid control. This generic method can also potentially tackle many other challenges in analyzing and controlling general complex engineered systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Bayesian Optimization Framework for Imperfect Data or Models

Conventional Bayesian optimization methods implicitly assume that the data and model being optimized are “perfect.” This assumption leads to inaccurate posterior probability distribution functions (PDFs) when applied to “imperfect” data or models. The new Bayesian optimization framework presented in this report provides a way to parameterize the effect of imperfections usually encountered in a prior PDF of generalized data or a model on the posterior PDF. The effects of imperfections are parameterized by a set of constraints imposed on the posterior expectation values of deviations between the data and the model and on their covariance matrix elements. A particular set of values for these constraints conveys an evaluator’s best estimate of the effect of imperfections on the corresponding posterior expectation values. When a prior PDF of generalized data is assumed to be normal, an expression for a posterior PDF satisfying an arbitrary set of constraints is derived analytically for linear models. An analogous iterative algorithm is given for nonlinear models. The corresponding posterior PDF should be used to estimate any posterior expectation values in the presence of imperfections parameterized by that set of constraints. A posterior PDF of a conventional Bayesian optimization method is recovered analytically when all evaluator-specified constraints are set to zero (i.e., in the absence of any imperfections). The analytical expressions derived in this report for normal PDFs and linear models were verified numerically by a Metropolis–Hastings Monte Carlo method. The methods presented herein could be applied to any kind of data or models, including differential cross-section data or integral benchmark experiments.

97 MATHEMATICS AND COMPUTING↗

A Forward Analytic Model of Neutron Time-of-Flight Signals for Inferring Ion Temperatures from MagLIF Experiments

A forward analytic model is required to rapidly simulate the neutron time-of-flight (nToF) signals that result from magnetized liner inertial fusion (MagLIF) experiments at Sandia’s Z Pulsed Power Facility. Various experimental parameters, such as the burn-weighted fuel-ion temperature and liner areal density, determine the shape of the nToF signal and are important for characterizing any given MagLIF experiment. Extracting these parameters from measured nToF signals requires an appropriate analytic model that includes the primary deuterium-deuterium neutron peak, once-scattered neutrons in the beryllium liner of the MagLIF target, and direct beamline attenuation. Here, mathematical expressions for this model were derived from the general-geometry time- and energy-dependent neutron transport equation with anisotropic scattering. Assumptions consistent with the time-of-flight technique were used to simplify this linear Boltzmann transport equation into a more tractable form. Models of the uncollided and once-collided neutron scalar fluxes were developed for one of the five nToF detector locations at the Z-Machine. Numerical results from these models were produced for a representative MagLIF problem and found to be in good agreement with similar neutron transport simulations. Twenty experimental MagLIF data sets were analyzed using the forward models, which were determined to only be significantly sensitive to the ion temperature. The results of this work were also found to agree with values obtained separately using a zero scatter analytic model and a high-fidelity Monte Carlo simulation. Finally, inherent difficulties in this and similar techniques are identified, and a new approach forward is suggested.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗