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At least 865 records · Page 48

Roadmap for warm dense matter physics

This roadmap presents the state-of-the-art, current challenges and near future developments anticipated in the thriving field of warm dense matter physics. Originating from strongly coupled plasma physics, high pressure physics and high energy density science, the warm dense matter physics community has recently taken a giant leap forward. This is due to spectacular developments in laser technology, diagnostic capabilities, and computer simulation techniques. Only in the last decade has it become possible to perform accurate enough simulations \& experiments to truly verify theoretical results as well as to reliably design experiments based on predictions. Consequently, this roadmap discusses recent developments and contemporary challenges that are faced by theoretical methods, and experimental techniques needed to create and diagnose warm dense matter. A large part of this roadmap is dedicated to specific warm dense matter systems and applications in astrophysics, inertial confinement fusion and novel material synthesis.

FOS: Physical sciences↗

Diagnostic and model dependent uncertainty of simulated Tibetan permafrost area

We perform a land-surface model intercomparison to investigate how the simulation of permafrost area on the Tibetan Plateau (TP) varies among six modern stand-alone land-surface models (CLM4.5, CoLM, ISBA, JULES, LPJ-GUESS, UVic). Here, we also examine the variability in simulated permafrost area and distribution introduced by five different methods of diagnosing permafrost (from modeled monthly ground temperature, mean annual ground and air temperatures, air and surface frost indexes). There is good agreement (99 to 135 × 10 4 km 2 ) between the two diagnostic methods based on air temperature which are also consistent with the observation-based estimate of actual permafrost area (101 ×10 4 km 2 ). However the uncertainty (1 to 128 × 10 4 km 2 ) using the three methods that require simulation of ground temperature is much greater. Moreover simulated permafrost distribution on the TP is generally only fair to poor for these three methods (diagnosis of permafrost from monthly, and mean annual ground temperature, and surface frost index), while permafrost distribution using air-temperature-based methods is generally good. Model evaluation at field sites highlights specific problems in process simulations likely related to soil texture specification, vegetation types and snow cover. Models are particularly poor at simulating permafrost distribution using the definition that soil temperature remains at or below 0°C for 24 consecutive months, which requires reliable simulation of both mean annual ground temperatures and seasonal cycle, and hence is relatively demanding. Although models can produce better permafrost maps using mean annual ground temperature and surface frost index, analysis of simulated soil temperature profiles reveals substantial biases. The current generation of land-surface models need to reduce biases in simulated soil temperature profiles before reliable contemporary permafrost maps and predictions of changes in future permafrost distribution can be made for the Tibetan Plateau.

54 ENVIRONMENTAL SCIENCES↗

PARALLEL PERTURBATION MODEL FOR CYCLE TO CYCLE VARIABILITY PPM4CCV

This code consists of a Fortran 90 implementation of the parallel perturbation model to compute cyclic variability in spark ignition (SI) engines. Cycle-to-cycle variability (CCV) is known to be detrimental to SI engine operation resulting in partial burn and knock, and result in an overall reduction in the reliability of the engine. Numerical prediction of cycle-to-cycle variability (CCV) in SI engines is extremely challenging for two key reasons: (i) high-fidelity methods such as large eddy simulation (LES) are required to accurately capture the in-cylinder turbulent flow field, and (ii) CCV is experienced over long timescales and hence the simulations need to be performed for hundreds of consecutive cycles. In the new technique, the strategy is to perform multiple parallel simulations, each of which encompasses 2-3 cycles, by effectively perturbing the simulation parameters such as the initial and boundary conditions. The PPM4CCV code is a pre-processing code and can be coupled with any engine CFD code. PPM4CCV was coupled with Converge CFD code and a 10-time speedup was demonstrated over the conventional multi-cycle LES in predicting the CCV for a motored engine. Recently, the model is also being applied to fired engines including port fuel injected (PFI) and direct injection spark ignition engines and the preliminary results are very encouraging.

Ameen, Muhsin Mohammed↗

Neural Network Enhanced RKPM for Electrochemical-Mechanical Coupled Damage Modeling of Energy Storage Materials

Energy storage materials undergo significant charge cycling, which makes understanding their reliability and durability fundamental in predicting performance and service life. Strong electrochemical-mechanical coupling and highly anisotropic material properties contribute to the formation and propagation of micro-cracking, largely along material interfaces and grain boundaries. For Li-ion batteries, for example, lithium moving between electrodes during charging and discharging process causes expansion and contraction of grains, and the strongly anisotropic and nonlinearly [Li]-dependent grain material properties can cause grains to expand into and contract away from each other, leading to chemo-mechanical cracking. In the first part of this work, a RKPM based computational framework for solving the coupled solid-phase lithium conservation with Fickian diffusion and the lithium concentration dependent anisotropic mechanical problem subjected to a highly nonlinear Butler-Volmer boundary condition is introduced. The choice of RKPM completeness conditions for lithium concentration and mechanical deformation fields, and the variational consistency condition for the domain integration of the coupled problem is first determined. In the second part of this work, a neural network-enhanced reproducing kernel particle method (NN-RKPM) [1] is leveraged to accurately capture damage and crack propagation throughout the material, by learning the location, orientation, and sharpness of discontinuity while allowing for a coarser nodal distribution than that is necessary for capturing sharp solution transitions using traditional mesh-based methods. NN-RKPM is used to inform how crack opening and closure in turn affect the coupled chemical equations and material microstructure.

damage modeling↗

Neural Network-Enhanced Reproducing Kernel Particle Method for Image-Based Multiphysics Damage Modeling of Energy Storage Materials

Energy storage materials undergo significant stresses during charge/discharge cycling, which makes understanding their reliability and durability fundamental in predicting performance and service life. Strong electrochemical-mechanical coupling and highly anisotropic material properties contribute to the formation and propagation of micro-cracking, largely along material interfaces and grain boundaries. With microstructural images supplied by the National Renewable Energy Laboratory (NREL), image-based modeling techniques are used to represent the complex material microstructures that dictate the coupled physics of these systems. Traditional electrochemical-mechanical models rely on mesh-based finite element methods, which can lead to difficulties in capturing crack propagation due to mesh dependency. Additionally, commonly used damage models, such as the continuous damage model and the cohesive zone model, often have steep tradeoffs between discontinuous field accuracy and computational expense. In this work, a neural network-enhanced reproducing kernel particle method (NN-RKPM) [1] is leveraged to accurately capture damage and crack propagation throughout the material by learning the location, orientation, and sharpness of discontinuity while allowing for a coarser nodal distribution than that necessary for capturing sharp solution transitions using traditional mesh-based methods. NN-RKPM is used to inform how crack opening and closure in turn affect the coupled chemical equations and material microstructure. Reference: [1] Baek, J., Chen, J. S., Susuki, K., "Neural Network enhanced Reproducing Kernel Particle Method for Modeling Localizations," International Journal for Numerical Methods in Engineering, Vol. 123, pp 4422-4454, https://doi.org/10.1002/nme.7040, 2022.

damage modeling↗

FFTF HT9 Cladding Microstructure Characterization

The sodium-cooled fast reactor (SFR) is a promising candidate for next generation nuclear reactors, operating at extreme conditions which include high temperatures (>500?C core outlet temperature) and significant neutron damage. High-Cr martensitic HT9 steel is an excellent candidate for SFR cladding and duct material due to its compatibility with liquid sodium, good thermal conductivity, resistance to void swelling, and strong creep rupture strength [1-4].However, the harsh in-core environment of SFRs can cause complex microstructural changes and mechanical property degradation in HT-9. Ensuring the safe use of HT9 cladding for metallic fuel requires both a thorough understanding of its mechanical response to microstructure evolution as well as reliable microstructure-sensitive modeling predictions. Microstructure-sensitive modeling of high temperature creep behavior in HT9 cladding for SFR applications currently lack experimental data to model the phenomena accurately. To fill this need, methods to perform microstructural characterization have been developed and performed on HT9.

36 MATERIALS SCIENCE↗

Neural network ensembles and uncertainty estimation for predictions of inelastic mechanical deformation using a finite element method-neural network approach

The finite element method (FEM) is widely used to simulate a variety of physics phenomena. Approaches that integrate FEM with neural networks (NNs) are typically leveraged as an alternative to conducting expensive FEM simulations in order to reduce the computational cost without significantly sacrificing accuracy. However, these methods can produce biased predictions that deviate from those obtained with FEM, since these hybrid FEM-NN approaches rely on approximations trained using physically relevant quantities. In this work, an uncertainty estimation framework is introduced that leverages ensembles of Bayesian neural networks to produce diverse sets of predictions using a hybrid FEM-NN approach that approximates internal forces on a deforming solid body. The uncertainty estimator developed herein reliably infers upper bounds of bias/variance in the predictions for a wide range of interpolation and extrapolation cases using a three-element FEM-NN model of a bar undergoing plastic deformation. This proposed framework offers a powerful tool for assessing the reliability of physics-based surrogate models by establishing uncertainty estimates for predictions spanning a wide range of possible load cases.

42 ENGINEERING↗

On the Language of Reliability: A System Engineer Perspective

In its classical definition, risk is defined by three elements: what can go wrong, what are its consequences, and how likely is it to occur? While this definition makes sense in a regulatory-based framework where for the current fleet of operating light water reactors (LWRs), the risks associated with nuclear power plants typically are characterized in terms of core damage and large early release frequency (LERF), this approach does not provide a useful snapshot of the health of the plant from a broader perspective. This is due to the very narrow context in which the term “risk” typically is defined as nuclear safety aspects that have the potential to impact public health. In this paper, we take the viewpoint of nuclear safety that is reflective of the current fleet of operating LWRs for which core damage frequency and LERF are appropriate metrics. For other advanced reactor designs, other more applicable technology neutral metrics of reactor safety metrics would be specified. A possible alternate path would start by redefining the word risk with a broader meaning that better reflects the needs of a system health and asset management decision-making process. Rather than asking how likely an event could occur (in probabilistic terms), we can ask how far this event is from occurring. Our approach starts by defining and quantifying component and system health in terms of a “distance” between its actual and limiting conditions, i.e., determination of the margin that exists between the current state/condition and the state where the component/system is no longer capable of achieving its intended function. A margin is a measure that is more reflective of the current state or performance of a component, and therefore more closely tied to decisions that are made on an ongoing basis. Further, we will show how, given the data available from plant equipment reliability and monitoring (e.g., pump vibration data) and prognostic (e.g., component remaining useful life estimation) data, a margin can be described and determined for all types of maintenance approaches (e.g., corrective or predictive maintenance). We show how classical reliability models (e.g., fault trees) can be used to quantify the system margin provided component margin values. In the approach described in this paper, the propagation of margin values through classical reliability models are not performed using classical probabilistic calculations applied to sets (as performed in a typical plant probabilistic risk assessment). Instead, we show how it is possible to propagate margin values through Boolean logic gates (i.e., AND and OR operators) through distance-based operations.

97 MATHEMATICS AND COMPUTING↗

Quantifying model prediction sensitivity to model-form uncertainty

Computational and mathematical models are essential to understanding complex systems and phenomena. However, when developing such models, limited knowledge and/or resources necessitates the use of simplifying assumptions. It is therefore crucial to quantify the impact of such simplifying assumptions on the reliability and accuracy of resulting model predictions. This work develops a first-of-its-kind approach to quantify the impact of physics modeling assumptions on predictions. Here, we leverage the emerging field of model-form uncertainty (MFU) representations, which are parameterized modifications to modeling assumptions, in combination with grouped Sobol’ indices to quantitatively measure an assumption’s importance. Specifically, we compute the grouped Sobol’ index for the MFU representation’s parameters as a single importance measure of the assumption for which the MFU representation characterizes uncertainty. To ensure this approach is robust to the subjective choice of how to parameterize a MFU representation, we establish bounds for the difference between sensitivity results for two different MFU representations based on differences in model prediction statistics. The capabilities associated with this approach are demonstrated on three exemplar problems: an upscaled subsurface contaminant transport problem, ablation modeling for hypersonic flight, and nuclear waste repository modeling. We found that our grouped approach is able to assess the impact of modeling assumptions on predictions and offers computational advantages over classical Sobol’ index computation while providing more interpretable results.

97 MATHEMATICS AND COMPUTING↗

Application of Margin-Based Methods to Assess System Health

Health management of complex systems such as nuclear power plants is an essential task to guarantee system reliability. This task can be greatly enhanced by constantly monitoring asset status and performances and process such data (through anomaly detection, diagnostic, and prognostic computational algorithms) to identify asset degradation trends and faulty states. While such information and data are typically available for many of the assets, they are not propagated from the asset to the system level in order to identify the most critical assets and prioritize maintenance and surveillance activities. The main reason is driven by the fact that current reliability modeling techniques are inadequate to process such information/data. This is due to the nature of these techniques which are based on the concept of failure rate/probability that do not serve an operational context where quantitative asset health information is available. Simply stated, current reliability techniques serve a run-to-failure operational setting and not a predictive maintenance one where the goal is to perform maintenance and surveillance activities only when they are needed based on asset health. The risk informed asset management (RIAM) project is focusing on the development of a different kind of reliability modeling techniques designed to adequately serve a predictive operational setting. Such reliability techniques move aways from a failure rate/probability to a margin-based mindset where margin is here used as a metric to quantify asset health based only on current and past operational experience of the asset under consideration. In addition, margin-based reliability techniques are able to propagate asset health information from the component to system level and provide importance measure to each asset. This report summarizes a recent activity performed in collaboration with plant modernization pathway designed to integrate monitoring data into margin-based reliability models. Such activity focuses on a specific system of an existing nuclear power plant where large amount of historic monitoring data is used to monitor asset and system health.

97 MATHEMATICS AND COMPUTING↗

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

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

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Predictive turbulence-driven flux model of scrape-off layer widths across confinement regimes in tokamaks

Reliable scrape-off layer (SOL) profile decay lengths predictions are needed to design and operate future tokamaks. The present manuscript describes a new model based on turbulent transport that is able to predict SOL widths for both L-mode and H-mode plasmas. The model is based upon the sheared-spectral filament paradigm (Peret et al (WEST Team) 2022 Phys. Plasmas 29 072306), however, incorporating the effects of thermal transport in order to calculate the parallel heat fluxes. The effects of magnetic shear and ExB shear on the cross-field transport are crucial to explain the shorter SOL decay lengths found in H-mode. The model is validated against a database of thousands of DIII-D L-mode and H-mode SOL profiles. We also calculate SOL decay length predictions in terms of plasma and engineer control parameters, which are in agreement with the multi-machine empirical H-mode scaling (Eich et al (ASDEX Upgrade Team and JET EFDA Contributors) 2013 Nucl. Fusion 53 093031), however, with an additional device geometry dependence. ITER SOL width predictions by the model are 3 times higher than the empirical scaling.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Power Cycle Testing of Power Switches: A Literature Survey

Reliability of power converters and lifetime prediction has been a major topic of research in the last few decades, especially for traction applications. The main failures in high power semiconductors are caused by thermomechanical fatigue. Power cycling and temperature cycling are the two most common thermal acceleration tests used in assessing reliability. The objective of this paper is to study the various power cycling tests found in the literature and to develop generalized steps in planning application specific power cycling tests. A comparison of different tests based on the failures, duration, test circuits, and monitored electrical parameters is presented.

42 ENGINEERING↗

CrossMP: Enabling Cross-Modality Translation between Single-Cell RNA-Seq and Single-Cell ATAC-Seq through Web-Based Portal

In recent years, there has been a growing interest in profiling multiomic modalities within individual cells simultaneously. One such example is integrating combined single-cell RNA sequencing (scRNA-seq) data and single-cell transposase-accessible chromatin sequencing (scATAC-seq) data. Integrated analysis of diverse modalities has helped researchers make more accurate predictions and gain a more comprehensive understanding than with single-modality analysis. However, generating such multimodal data is technically challenging and expensive, leading to limited availability of single-cell co-assay data. Here, we propose a model for cross-modal prediction between the transcriptome and chromatin profiles in single cells. Our model is based on a deep neural network architecture that learns the latent representations from the source modality and then predicts the target modality. It demonstrates reliable performance in accurately translating between these modalities across multiple paired human scATAC-seq and scRNA-seq datasets. Additionally, we developed CrossMP, a web-based portal allowing researchers to upload their single-cell modality data through an interactive web interface and predict the other type of modality data, using high-performance computing resources plugged at the backend.

59 BASIC BIOLOGICAL SCIENCES↗

wtDigiTwin (Wind Turbine Digital Twin) [SWR-21-15]

This wind turbine digital twin software (wtDigiTwin) provides a digital twin solution for wind turbine applications. The focus of wtDigiTwin is to estimate loads, motions and environmental conditions for an operating wind turbine. The program uses supervisory control and data acquisition (SCADA) measurements as inputs, together with a wind turbine model. The wind industry is currently challenged by the high cost of operation and maintenance. These costs could be mitigated if component failures are predicted, but such predictions are difficult unless the turbines are equipped with expensive measuring devices. The alternative is to use a digital twin such as wtDigiTwin to estimate the necessary signals. wtDigiTwin can perform online prediction of signals that are otherwise not measured, using a limited set of reliable measurements and a physics-based model. The predicted signals can be used in applications that have direct cost benefits: 1) real-time estimation of the fatigue consumption of key components of the wind turbine; 2) root cause analyses and failure detections ; 3) lifetime reassessments ; 4) improvements to follow-on designs. The current version provides examples to estimate wind speed, thrust, torque, tower-top position, and tower loads on an onshore wind turbine using the following measurements tower top acceleration, generator torque, pitch, and rotational speed. The model combines a linear state-space model, a wind speed estimator, and a Kalman filter algorithm that integrates measurements with the state model to perform state estimations. The state space model is obtained either using OpenFAST linearizations, or using the yams package provided with the software.

Branlard, Emmanuel↗

A Flexible Framework for Building Occupancy Detection Using Spatiotemporal Pattern Networks: Preprint

This paper presents a reliable, scalable, and transferable framework to predict occupancy in a building utilizing diverse, multi-modal information. We propose a new methodology for learning-driven occupancy detection built on the concepts of probabilistic graphical modeling and observable Markov chain modeling. To capture the relationship between multi-sensor data and occupancy, we propose this Occ-STPN framework that is flexible to support both multivariate and univariate formulations. While the multivariate Occ-STPN performs feature-level fusion of multiple predictors and occupancy time-series data, the univariate Occ-STPN involves decision fusion of occupancy predictions using individual predictors based on a mutual information weighted fusion scheme. We also propose a new metric to evaluate the performance of occupancy prediction algorithms. Two popular datasets are used to validate our approach and demonstrate that our framework is scalable in terms of the number of information sources (e.g., sensors) as well as it is possible to transfer trained models from one building to another without significant reduction in performance. Reliability of the algorithm is also tested by injecting noise into the datasets.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

A Flexible Framework for Building Occupancy Detection Using Spatiotemporal Pattern Networks

This paper presents a reliable, scalable, and transferable framework to predict occupancy in a building utilizing diverse, multi-modal information. We propose a new methodology for learning-driven occupancy detection built on the concepts of probabilistic graphical modeling and observable Markov chain modeling. To capture the relationship between multi-sensor data and occupancy, we propose this Occ-STPN framework that is flexible to support both multivariate and univariate formulations. While the multivariate Occ-STPN performs feature-level fusion of multiple predictors and occupancy time-series data, the univariate Occ-STPN involves decision fusion of occupancy predictions using individual predictors based on a mutual information weighted fusion scheme. We also propose a new metric to evaluate the performance of occupancy prediction algorithms. Two popular datasets are used to validate our approach and demonstrate that our framework is scalable in terms of the number of information sources (e.g., sensors) as well as it is possible to transfer trained models from one building to another without significant reduction in performance. Reliability of the algorithm is also tested by injecting noise into the datasets.

24 POWER TRANSMISSION AND DISTRIBUTION↗

OC6 Phase IV: Validation of CFD Models for Stiesdal TetraSpar Floating Offshore Wind Platform

ABSTRACT With only a few floating offshore wind turbine (FOWT) farms deployed anywhere in the world, FOWT technology is still in its infancy, building on a modicum of real‐world experience to advance the nascent industry. To support further development, engineers rely heavily on modeling tools to accurately portray the behavior of these complex systems under realistic environmental conditions. This reliance creates a need for verification and validation of such tools to improve reliability of load and dynamic response prediction and analysis capabilities of FOWT systems. The Offshore Code Comparison Collaboration, Continued with Correlation and unCertainty (OC6) project was created under the framework of the International Energy Agency to address this need and considers a three‐sided verification and validation between engineering level models, computational fluid dynamics (CFD), and experimental results. In this paper, a novel floating offshore wind platform, the Stiesdal TetraSpar, is simulated using CFD under the load conditions defined by Phase IV of the OC6 project. The comparison of these CFD results against the experimental results demonstrated the ability to predict the platform response to waves when imposing the measured wave signals as input. Although validation versus experiment was largely successful, the damping behavior was impacted by uncertainties likely originating from the mooring system and sensor umbilical cable. This extensive comparison effort with multiple CFD practitioners offers insight into best practices to achieve reliable results.

17 WIND ENERGY↗