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At least 217 records · Page 12

Predicting biomass comminution: Physical experiment, population balance model, and deep learning

An extended population balance model (PBM) and a deep learning-based enhanced deep neural operator (DNO+) model are introduced for predicting particle size distribution (PSD) of comminuted biomass through a large knife mill. Experimental tests using corn stalks with varied moisture contents, mill blade speeds, and discharge screen sizes are conducted to support model development. A novel mechanism in the extended PBM allows for including additional input parameters such as moisture content, which is not possible in the original PBM. The DNO+ model can include influencing factors of different data types such as moisture content and discharge screen size, which significantly extends the engineering applicability of the standard DNO model that only admits feed PSD and outcome PSD. Test results show that both models are remarkably accurate in the calibration or training parameter space and can be used as surrogate models to provide effective guidance for biomass preprocessing design.

09 BIOMASS FUELS↗

A Novel Relative Permeability Model for Gas and Water Flow in Hydrate-Bearing Sediments With Laboratory and Field-Scale Application

In a producing gas hydrate reservoir the effective porosity available for fluid flow constantly changes with dissociation of gas hydrate. Therefore, accurate prediction of relative permeability using legacy models (e.g. Brooks-Corey (B-C), van Genuchten, etc.) that were developed for conventional oil and gas reservoirs would require empirical parameters to be calibrated at various S h over its range of variation, but such calibrations are precluded because of lack of experimental relative permeability data. This study proposes a new relative permeability model for gas hydrate-bearing media that is a function of maximum capillary pressure, capillary entry pressure, pore size distribution index, residual saturations, hydrate saturation, and four other constants. The three novel features of the proposed model are: (i) requires fitting its six empirical parameters only once using experimental data from any single S h , and the same set of empirical parameters predict relative permeability at all S h , (ii) includes the effect of capillarity, and (iii) includes the effect of pore-size distribution. From practical standpoint, the model can be used to simulate multiphase flow in gas hydrate-bearing sediments where the proposed relative permeability can account for the evolving hydrate saturation. The proposed model is implemented in a numerical simulator and the wall time required to perform simulations using the proposed model is shown to be similar to the time it takes to run same simulations with the B-C model. The proposed model is a step forward towards achieving the goal of physically accurate modeling of multiphase flow for gas hydrate-bearing sediments that accounts for the effect of gas hydrate saturation change on relative permeability.

54 ENVIRONMENTAL SCIENCES↗

Toward Improved Regional Hydrological Model Performance Using State-Of-The-Science Data-Informed Soil Parameters

Accurate soil moisture and streamflow data are an aspirational need of many hydrologically relevant fields. Model simulated soil moisture and streamflow hold promise but models require validation prior to application. Calibration methods are commonly used to improve model fidelity but misrepresentation of the true dynamics remains a challenge. In this study, we leverage soil parameter estimates from the Soil Survey Geographic (SSURGO) database and the probability mapping of SSURGO (POLARIS) to improve the representation of hydrologic processes in the Weather Research and Forecasting Hydrological modeling system (WRF-Hydro) over a central California domain. Our results show WRF-Hydro soil moisture exhibits increased correlation coefficients ( r ), reduced biases, and increased Kling-Gupta Efficiencies (KGEs) across seven in situ soil moisture observing stations after updating the model's soil parameters according to POLARIS. Compared to four well-established soil moisture data sets including Soil Moisture Active Passive data and three Phase 2 North American Land Data Assimilation System land surface models, our POLARIS-adjusted WRF-Hydro simulations produce the highest mean KGE (0.69) across the seven stations. More importantly, WRF-Hydro streamflow fidelity also increases, especially in the case where the model domain is set up with SSURGO-informed total soil thickness. The magnitude and timing of peak flow events are better captured, r increases across nine United States Geological Survey stream gages, and the mean KGE across seven of the nine gages increases from 0.12 to 0.66. Our pre-calibration parameter estimate approach, which is transferable to other spatially distributed hydrological models, can substantially improve a model's performance, helping reduce calibration efforts and computational costs.

54 ENVIRONMENTAL SCIENCES↗

Extending Parsimonious Bayesian Inference

Parsimonious Bayesian inference is a theoretical framework for efficient data assimilation that seeks to balance increased consistency between predictions and training data against corresponding increases in model complexity. Within this framework, over-training is understood as optimization that encodes excessive information within model parameters while only achieving small improvements between predictions and training data. This project aims to develop practical methods of limiting excess model information during optimization. One key observation is that practical heuristics for parsimonious learning in high-dimensions must balance expressivity, i.e. the ability of the model to capture diverse predictions with only a few non-zero parameters, against discoverability, i.e. the ability to train the model with gradient-based optimization and drive parameters to low information states. As such, we developed logical activation functions that are able to adaptively approximate arbitrary truth tables that define Boolean logic operations within a probabilistic framework. These functions have demonstrated the ability to learn exclusive disjunction (XOR) and conditioned disjunction (if [condition] then [result_if_true] else [result_if_false]) within a single layer of a neural network. To efficiently exploit these activation functions to drive parsimonious learning required several other advances within the domain of variational inference. The most efficient form of complexity suppression is structured sparsification, driving most model parameters to zero while achieving the structural coherence among nonzeros needed for bandwidth reduction. Such models are not only far more efficient at suppressing information-theoretic complexity, they also reduce the other forms of complexity (computations, communication, storage, and the number of dependencies needed to evaluate predictions). Aiming to support enhanced sparsification, this project examined new approaches to high-dimensional variational inference that allow us to calibrate and control parameter uncertainty during optimization. By identifying which parameters can sustain sparsifying perturbations with little impact on prediction quality, we can develop better pruning strategies by framing them as approximate Bayesian inference. These advances also open paths to mitigate concerns with deploying advanced learning methods in resource-constrained environments, such as running models on power-limited or communication-limited devices.

97 MATHEMATICS AND COMPUTING↗

Monte Carlo control loops for cosmic shear cosmology with DES Year 1 data

Weak lensing by large-scale structure is a powerful probe of cosmology and of the dark universe. This cosmic shear technique relies on the accurate measurement of the shapes and redshifts of background galaxies and requires precise control of systematic errors. Monte Carlo control loops (MCCL) is a forward modeling method designed to tackle this problem. It relies on the ultra fast image generator (UFig) to produce simulated images tuned to match the target data statistically, followed by calibrations and tolerance loops. Here, we present the first end-to-end application of this method, on the Dark Energy Survey (DES) Year 1 wide field imaging data. We simultaneously measure the shear power spectrum $C_ℓ$ and the redshift distribution $n(z)$ of the background galaxy sample. The method includes maps of the systematic sources, point spread function (PSF), an approximate Bayesian computation (ABC) inference of the simulation model parameters, a shear calibration scheme, and a fast method to estimate the covariance matrix. We find a close statistical agreement between the simulations and the DES Y1 data using an array of diagnostics. In a nontomographic setting, we derive a set of $C_ℓ$ and $n(z)$ curves that encode the cosmic shear measurement, as well as the systematic uncertainty. Following a blinding scheme, we measure the combination of $Ω_m$, $σ_8$, and intrinsic alignment amplitude $A_{IA}$, defined as $S_8D_{IA}=σ_8(Ω_m/0.3)^{0.5}D_{IA}$, where $D_{IA}=1-0.11(A_{IA}-1)$. We find $S_8D_{IA}=0.8954_{-0.039}^{+0.054}$, where systematics are at the level of roughly 60% of the statistical errors. We discuss these results in the context of earlier cosmic shear analyses of the DES Y1 data. Our findings indicate that this method and its fast runtime offer good prospects for cosmic shear measurements with future wide-field surveys.

79 ASTRONOMY AND ASTROPHYSICS↗

Probabilistic projections of the Amery Ice Shelf catchment, Antarctica, under conditions of high ice-shelf basal melt

Abstract. Antarctica's Lambert Glacier drains about one-sixth of the ice from the East Antarctic Ice Sheet and is considered stable due to the strong buttressing provided by the Amery Ice Shelf. While previous projections of the sea-level contribution from this sector of the ice sheet have predicted significant mass loss only with near-complete removal of the ice shelf, the ocean warming necessary for this was deemed unlikely. Recent climate projections through 2300 indicate that sufficient ocean warming is a distinct possibility after 2100. This work explores the impact of parametric uncertainty on projections of the response of the Lambert–Amery system (hereafter “the Amery sector”) to abrupt ocean warming through Bayesian calibration of a perturbed-parameter ice-sheet model ensemble. We address the computational cost of uncertainty quantification for ice-sheet model projections via statistical emulation, which employs surrogate models for fast and inexpensive parameter space exploration while retaining critical features of the high-fidelity simulations. To this end, we build Gaussian process (GP) emulators from simulations of the Amery sector at a medium resolution (4–20 km mesh) using the Model for Prediction Across Scales (MPAS)-Albany Land Ice (MALI) model. We consider six input parameters that control basal friction, ice stiffness, calving, and ice-shelf basal melting. From these, we generate 200 perturbed input parameter initializations using space filling Sobol sampling. For our end-to-end probabilistic modeling workflow, we first train emulators on the simulation ensemble and then calibrate the input parameters using observations of the mass balance, grounding line movement, and calving front movement with priors assigned via expert knowledge. Next, we use MALI to project a subset of simulations to 2300 using ocean and atmosphere forcings from a climate model for both low- and high-greenhouse-gas-emission scenarios. From these simulation outputs, we build multivariate emulators by combining GP regression with principal component dimension reduction to emulate multivariate sea-level contribution time series data from the MALI simulations. We then use these emulators to propagate uncertainty from model input parameters to predictions of glacier mass loss through 2300, demonstrating that the calibrated posterior distributions have both greater mass loss and reduced variance compared to the uncalibrated prior distributions. Parametric uncertainty is large enough through about 2130 that the two projections under different emission scenarios are indistinguishable from one another. However, after rapid ocean warming in the first half of the 22nd century, the projections become statistically distinct within decades. Overall, this study demonstrates an efficient Bayesian calibration and uncertainty propagation workflow for ice-sheet model projections and identifies the potential for large sea-level rise contributions from the Amery sector of the Antarctic Ice Sheet after 2100 under high-greenhouse-gas-emission scenarios.

54 ENVIRONMENTAL SCIENCES↗

Characterizing hole trap production due to proton irradiation in germanium cross-strip detectors

We present an investigation into the effects of high-energy proton damage on charge trapping in germanium cross-strip detectors with the goal of accomplishing three important measurements. First, we calibrated and characterized the spectral resolution of a spare COSI-balloon detector in order to determine the effects of intrinsic trapping, finding that electron trapping due to impurities dominates over hole trapping in the undamaged detector. Second, we performed two rounds of proton irradiation of the detector in order to quantify, for the first time, the rate at which charge traps are produced by proton irradiation. We find that the product of the hole trap density and cross-sectional area, [nσ] h , follows a linear relationship with the proton fluence, F p , with a slope of (5.4 ± 0.4) x 10 -11 cm/p + . Third, by utilizing our measurements of physical trapping parameters, we performed calibrations which corrected for the effects of trapping and mitigated degradation to the spectral resolution of the detector.

79 ASTRONOMY AND ASTROPHYSICS↗

Implementation of disruptive designs for gas turbine components using direct energy deposition additive manufacturing

This research aims to develop a framework for establishing the correlation between in-situ monitoring data, process parameters, and microstructure evolution in blown-powder laser-directed energy deposition (DED) additive manufacturing (AM). To achieve this, a comprehensive manufacturing framework has been developed, spanning from in-situ data acquisition, melt-pool simulation, microstructure modeling, and statistical microstructure quantification. A machine learning-based surrogate model is constructed to predict melt pool geometry directly from in-situ coaxial camera data. The surrogate model is trained using outputs from a high-fidelity melt pool simulation, which provides accurate melt pool dimension data under varying process conditions. The predicted melt pool geometry is then used as input to a microstructure model to predict microstructural features. To rigorously compare and analyze microstructures, the project introduces statistical metrics that quantify differences based on key features such as morphology and texture. Microstructures are represented using advanced statistical descriptors including angular chord length distribution, two-point spatial statistics, orientation distribution function, and global spherical harmonic. These representations are used to compute four distinct “dissimilarity scores” that quantitatively capture differences in texture and morphology. This framework is demonstrated to enable automated calibration of simulation parameters by minimizing discrepancies between simulated and target microstructures. The technology developed in this project enables direct correlation between in-situ monitoring data and resulting microstructure, paving the way for adaptive microstructure control in metal AM. This capability strengthens the connection between process parameters and final material properties, facilitating more precise and reliable material design.

36 MATERIALS SCIENCE↗

Ground calibration plan for the Athena/X-IFU microcalorimeter spectrometer

The X-ray Integral Field Unit is the X-ray imaging spectrometer on board one of ESA’s next large missions, Athena. Athena is set to investigate the theme of the Hot and Energetic Universe, with a launch planned in the late-2030s. Based on a high-sensitivity transition edge sensor (TES) detector array operated at very low temperature (50 mK), X-IFU will provide spatially resolved high-resolution spectroscopy of the X-ray sky in the 0.2 to 12 keV energy band, with an energy resolution goal of 4 eV up to 7 keV [3 eV design goal]. This work presents the current calibration plan of the X-IFU. It provides the requirements applicable to the X-IFU calibration, describes the overall calibration strategy, and details the procedure and sources needed for the ground calibration of each parameter or characteristics of the X-IFU.

47 OTHER INSTRUMENTATION↗

A numerical study of process complexity in permafrost dominated regions

Numerical modeling of permafrost dynamics requires adequate representation of atmospheric and surface processes, a reasonable parameter estimation strategy, and site-specific model development. The three main research objectives of the study are: (i) to propose a novel methodology that determines the required level of surface process complexity of permafrost models by conducting parameter sensitivity and calibration, (ii) to design and compare three numerical models of increasing surface process complexity, and (iii) to calibrate and validate the numerical models at the Yakou catchment on the Qinghai-Tibet Plateau as an exemplary study site. The calibration was carried out by coupling the Advanced Terrestrial Simulator (numerical model) and PEST (calibration tool). Simulation results showed that (i) A simple numerical model that considers only subsurface processes can simulate active layer development with the same accuracy as other more complex models that include surface processes. (ii) Peat and mineral soil layer permeability, Van Genuchten alpha, and porosity are highly sensitive. (iii) Liquid precipitation aids in increasing the rate of permafrost degradation. (iv) Deposition of snow insulated the subsurface during the thaw initiation period. We have developed and released an integrated code that couples the numerical software ATS to the calibration software PEST. The numerical model can be further used to determine the impacts of climate change on permafrost degradation.

Calibration↗

Effects of surface runoff and infiltration partition methods on hydrological modeling: A comparison of four schemes in two watersheds in the Northeastern US

The ratio according to which the precipitation/snowmelt is divided into surface and subsurface water is of primary importance to watershed scale hydrological modeling. The present study compared four different surface runoff and infiltration partition methods in the Richards-equation-based SWAT model (RSWAT), i.e., daily curve number method (DC-RSWAT), hourly curve number method (HC-RSWAT), Green-Ampt method (GA-RSWAT), and effective infiltration capacity method (EIC-RSWAT). These four versions of RSWAT and a daily-curve-number-based SWAT (DC-SWAT) were used to simulate daily flow rate (from 2001 to 2015) at the outlets of the Tuckahoe Creek Watershed (TCW) and Greensboro Watershed (GW) of the Chesapeake Bay in Maryland. Parameter sensitivity analysis, calibration, and prediction uncertainty analysis were conducted. The results indicate that surface runoff and infiltration partition methods have pronounced impacts on model performance. Comparative analysis showed that DC-RSWAT outperformed other versions of RSWAT for both calibration (from 2001 to2007) and validation (from 2008 to 2015) periods in the two test watersheds. In general, DC-RSWAT achieved more accurate deterministic flow simulation and reliable uncertainty estimation than other versions. As such, daily-curve-number method is recommended for surface runoff and infiltration partition in RSWAT for simulating stream flow.

hydrology, modeling, streamflow↗

A mechanistic interpretation of Nelson curves for PVP failures under high temperature hydrogen attack

As an empirically established design criterion, Nelson curves that relate the service temperature and the allowable hydrogen partial pressure have been developed and utilized for more than sixty years in pressure vessels and piping (PVP) safety design. Despite a relatively clear thermodynamic understanding of the high-temperature-hydrogen-attack (HTHA) problem, the detailed fracture process on the microstructural length scales, however, remains elusive, and a quantitative assessment of the PVP lifetime under HTHA from the available creep fracture dataset is still not possible. This work develops a microstructure-informed and micromechanics-based model by incorporating a synergy between hydrogen transport and intergranular-cavity-based fracture process. Based on the available creep lifetime data of C-0.5Mo steels, we are able to calibrate material constitutive parameters, and then conduct nonlinear finite element simulations that reveal a real-time stress-induced hydrogen diffusional transport along grain boundaries, coupled with a microstructure-explicit failure process, from which Nelson curves can be computed. Such failure analyses allow us to delineate two distinct regimes on the Nelson curves, i.e., dislocation-creep-controlled or grain boundary diffusion-assisted cavity growth. More importantly, we found that a small change of the pipe thickness and applied stresses can significantly shift these lifetime curves. However, these two parameters are usually not provided in Nelson curves, thus limiting their usage in material selection and safety design. In conclusion, this discrepancy can clearly be mitigated by extensive parametric studies from our micromechanical modeling/simulation framework.

36 MATERIALS SCIENCE↗

Three-Dimensional Evaluation of Sand Particle Fracture Using Discrete-Element Method and Synchrotron Microcomputed Tomography Images

Recent research showed that fracture of sand particles plays a significant role in determining the plastic bulk volumetric changes of granular materials under different loading conditions. One of the major tools used to better understand the influence of particle fracture on the behavior of granular materials is discrete-element modeling (DEM). This paper employed the bonded block model (BBM) to simulate the fracture behavior of sand. Each sand particle is modeled as an agglomerate of rigid blocks bonded at their contacts using the linear-parallel contact model, which can transmit both moment and force. DEM simulated particles closely matched the actual three-dimensional (3D) shape of sand particles acquired using high-resolution 3D synchrotron microcomputed tomography (SMT). Results from unconfined one-dimensional (1D) compression of a single synthetic silica cube were used to calibrate the model parameters. Particle fracture was investigated for specimens composed of three sand particles that were loaded under confined 1D compression. Breakage energy measured from DEM models matched well with that measured experimentally. The paper studied the effects of contact loading condition and particle interaction on the fracture mode of particles using BBM that can closely capture the 3D shape of real sand particles.

58 GEOSCIENCES↗

Super-resolution surface slope metrology of x-ray mirrors

We present experimental, analytical, and numerical methods developed for reconstruction (deconvolution) of one-dimensional (1D) surface slope profiles over the spatial frequency range where the raw data are significantly perturbed due to the limited resolution of the measurement instrument. We characterize the spatial resolution properties of a profiler with the instrument's transfer function (ITF). To precisely measure the ITF, we apply a recently developed method utilizing test surfaces with 1D linear chirped height profiles of constant slope amplitude. Based on the results of the ITF calibration, we determine parameters of an analytical model for the ITF that is used in the original reconstruction software. Here, we treat surface slope metrology data obtained with the Optical Surface Measuring System (OSMS), using as a sensor an electronic autocollimator (AC) ELCOMAT-3000. The spatial resolution of the OSMS is limited by the size of the AC light-beam-collimating aperture. For the purposes of this investigation, the OSMS is equipped with a circular aperture with a diameter of 2.5 mm. This is a typical arrangement of most AC-based slope profilers developed for surface slope metrology of state-of-the-art x-ray mirrors. Using the example of surface slope metrology of two state-of-the-art elliptically shaped x-ray focusing mirrors, we demonstrate that the developed data reconstruction procedure allows us to significantly improve the accuracy of surface slope metrology with the OSMS over the spatial wavelength range from ~1.6 mm to 7 mm. Thus, the amplitude of the quasi-periodic error characteristic of the deterministic polishing process used appears to be higher by a factor of~2 than is apparent from the rough metrology data. Underestimation of the surface slope errors in this spatial wavelength range can lead to serious errors in the expected performance of x-ray mirrors in synchrotron beamlines, especially at modern light sources utilizing coherent x rays, where the perturbations can lead to increased speckle-like intensity variation.

47 OTHER INSTRUMENTATION↗

Sensitivity of an integrated experiment to uncertainty in the high explosive equations of state

Traditionally, hydrodynamics simulations are performed with a single equation-of-state (EOS) to describe each material. These EOSs typically have a physics-informed functional form with adjustable parameters that are calibrated in order to replicate small-scale data. However, because the calibration data have uncertainty and there are typically inherent degeneracies in fitting the EOS, there are actually multiple EOSs that might be consistent with calibration data. In this work, we perform uncertainty quantification (UQ) for the reactant and product equations of state for the high explosive PBX 9501 to yield an ensemble of EOSs that match the uncertain small-scale calibration data. We then simulate an experiment of an explosively formed penetrator repeatedly with different EOSs to both validate the UQ analysis and determine the effects of EOS uncertainty on the prediction of quantities of interest in the experiment. In general, we find good agreement between the simulation predictions and the experimental measurements, and we identify an EOS variable that contributes most directly to the spread in the predictions as the EOSs are varied.

36 MATERIALS SCIENCE↗

The HalfDome multi-survey cosmological simulations: N-body simulations

Upcoming cosmological surveys have the potential to reach groundbreaking discoveries on multiple fronts, including the neutrino mass, dark energy, and inflation. Most of the key science goals require the joint analysis of datasets from multiple surveys to break parameter degeneracies and calibrate systematics. To realize such analyses, a large set of mock simulations that realistically model correlated observables is required. In this paper we present the N-body component of the HalfDome cosmological simulations, designed for the joint analysis of Stage-IV cosmological surveys, such as Rubin LSST, Euclid, SPHEREx, Roman, DESI, PFS, Simons Observatory, CMB-S4, and LiteBIRD. Our 300TB initial data release includes full-sky lightcones and halo catalogs between z = 0–4 for 11 fixed cosmology realizations, as well as an additional run with local primordial non-Gaussianity (f NL = 20). The simulations evolve 61443 particles in a 3.75 h -1 Gpc box, reaching a minimum halo mass of ∼6 × 1012 h -1 M ⊙ and maximum scale of k ∼ h Mpc-1. Our data is publicly available: instructions to access the data and plans for future data releases can be found at https://halfdomesims.github.io.

Bayer, Adrian E↗

Modelling type 1 quasar colours in the era of Rubin and Euclid

We construct a parametric SED model which is able to reproduce the average observed SDSS–UKIDSS–WISE quasar colours to within one-tenth of a magnitude across a wide range of redshift (0 < z < 5) and luminosity (–22 > M i > –29). This model is shown to provide accurate predictions for the colours of known quasars which are less luminous than those used to calibrate the model parameters, and also those at higher redshifts z > 5. Using a single parameter, the model encapsulates an up-to-date understanding of the intra-population variance in the rest-frame ultraviolet and optical emission lines of luminous quasars. At fixed redshift, there are systematic changes in the average quasar colours with apparent i-band magnitude, which we find to be well explained by the contribution from the host galaxy and our parametrization of the emission-line properties. By including redshift as an additional free parameter, the model could be used to provide photometric redshifts for individual objects. For the population as a whole we find that the average emission line and host-galaxy contributions can be well described by simple functions of luminosity which account for the observed changes in the average quasar colours across 18.1 < i AB < 21.5. Finally, we use these trends to provide predictions for quasar colours at the luminosities and redshifts which will be probed by the Rubin Observatory LSST and ESA-Euclid wide survey. The model code is applicable to a wide range of upcoming photometric and spectroscopic surveys, and is made publicly available.

79 ASTRONOMY AND ASTROPHYSICS↗