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At least 145 records · Page 8

Monitoring and prediction of porosity in laser powder bed fusion using physics-informed meltpool signatures and machine learning

In this work we accomplished the monitoring and prediction of porosity in laser powder bed fusion (LPBF) additive manufacturing process. This objective was realized by extracting physics-informed meltpool signatures from an in-situ dual-wavelength imaging pyrometer, and subsequently, analyzing these signatures via computationally tractable machine learning approaches. Porosity in LPBF occurs despite extensive optimization of processing conditions due to stochastic causes. Hence, it is essential to continually monitor the process with in-situ sensors for detecting and mitigating incipient pore formation. In this work a tall cuboid-shaped part (10 mm × 10 mm × 137 mm, material ATI 718Plus) was built with controlled porosity by varying laser power and scanning speed. This test caused various types of porosity, such as lack-of-fusion and keyhole formation, with varying degrees of severity in the part. The meltpool was continuously monitored using a dual-wavelength imaging pyrometer installed in the machine. Physically intuitive process signatures, such as meltpool length, temperature distribution, and ejecta (spatter) characteristics, were extracted from the meltpool images. Subsequently, relatively simple machine learning models, e.g., K-Nearest Neighbors, were trained to predict both the severity and type of porosity as a function of these physics-informed meltpool signatures. These models resulted in a prediction accuracy exceeding 95% (statistical F1-score). The same analysis was carried out with a complex, black-box deep learning convolutional neural network which directly used the meltpool images instead of physics-informed features. The convolutional neural network produced a comparable F1-score in the range of 89–97%. Finally, these results demonstrate that using pragmatic, physics-informed meltpool signatures within a simple machine learning model is as effective for flaw prediction in LPBF as using a complex and computationally demanding black-box deep learning model.

36 MATERIALS SCIENCE↗

Loss of Control Detection for Commercial Transport Aircraft Using Conditional Variational Autoencoders

This work describes a detector for the loss of control condition of a commercial transport in flight. The detector has a belief state defined by the latent variable stochastic modeling of a conditional variational autoencoder (CVAE) constructed with bidirectional recurrent layers. In 2000, the Boeing Company and the NASA Langley Research Center jointly developed a quantitative set of metrics for defining loss-of-control (LOC) for a commercial transport. We use the thresholds for these quantitative metrics to define a condition vector for training the CVAE. First, we demonstrate through experimentation that reconstruction probability is an accurate indicator that the vehicle has shifted to an LOC state. Second, we introduce a technique for inferring that the vehicle is approaching a flight state change by measuring a shift in the sampling distributions of the CVAE latent space. The sampling distributions for flight observations that are approaching envelope limits are localized to external areas of the latent space. We provide an analysis of its applicability to flight data from NASA’s dynamically-scaled generic transport model (GTM) aircraft.

Loss of control↗

Loss of Control Detection for Commercial Transports Using Conditional Variational Autoencoders

This work describes a detector for the loss of control of a commercial transport in flight. The detector has a belief state defined by the latent variable stochastic modeling of a conditional variational autoencoder (CVAE) constructed with bidirectional recurrent layers. In 2000, the Boeing Company and the NASA Langley Research Center jointly developed a quantitative set of metrics for defining loss-of-control (LOC) for a commercial transport. We use the thresholds for these quantitative metrics to define a condition vector for training the CVAE. We demonstrate through experimentation that reconstruction probability is an accurate indicator that the vehicle has shifted to an LOC state. Second, we introduce a technique for inferring that the vehicle is experiencing a flight state change is approaching by measuring a shift in the sampling Gaussian distributions of the latent space. We provide an analysis of its applicability to flight data from a NASA generic commercial transport-type aircraft.

Newton H Campbell↗

Derivation of heterogeneous material distributions and their sensitivity to HM-coupled two-phase flow models exemplified with the LASGIT experiment

Abstract Advective gas transport in bentonite, a possible buffer material in repositories for radioactive materials, is difficult to simulate in numerical continuum models, partly due to the complicated microstructure of bentonite. To generate reliable models of repositories nevertheless, spatially distributed heterogeneous material properties can be used to allow localization of gas flow. In this study, a pore-size-dependent stochastic approach of the gas entry pressure is derived from Mercury Intrusion Porosimetry, which is used to replicate measurements from the LASGIT experiment. In addition, three benchmark tests are simulated to investigate the dependence of heterogeneous distributions of material properties on the mesh discretization, the temporal dependence, and the coupling between the processes influenced by the heterogeneous parameters. The numerical modeling results of the LASGIT experiment show that the onset of gas flow into the system and the subsequent increase in pressure and stress can be well reproduced using heterogeneous distributions. Compared to a model with homogeneous material properties, heterogeneous distributions may allow the generation of dilatancy-controlled microfractures—an important feature with regard to the advective gas flow in bentonites. However, it can be observed that the heterogeneous distributions in LASGIT are less significant, as technical gaps or differences in material types could have a greater impact.

Environmental Sciences & Ecology↗

A Unifying View of Estimation and Control Using Belief Propagation With Application to Path Planning

The use of estimation techniques on stochastic models to solve control problems is an emerging paradigm that falls under the rubric of Active Inference (AI) and Control as Inference (CAI). In this work, we use probability propagation on factor graphs to show that various algorithms proposed in the literature can be seen as specific composition rules in a factor graph. We show how this unified approach, presented both in probability space and in log of the probability space, provides a very general framework that includes the Sum-product, the Max-product, Dynamic programming and mixed Reward/Entropy criteria-based algorithms. The framework also expands algorithmic design options that lead to new smoother or sharper policy distributions. We propose original recursions such as: a generalized Sum/Max-product algorithm, a Smooth Dynamic programming algorithm and a modified versions of the Reward/Entropy algorithm. The discussion is carried over with reference to a path planning problem where the recursions that arise from various cost functions, although they may appear similar in scope, bear noticeable differences. We provide a comprehensive table of composition rules and a comparison through simulations, first on a synthetic small grid with a single goal with obstacles, and then on a grid extrapolated from a real-world scene with multiple goals and a semantic map.

Francesco A. N. Palmieri↗

Projective Integral Updates for High-Dimensional Variational Inference

Variational inference is an approximation framework for Bayesian inference that seeks to improve quantified uncertainty in predictions by optimizing a simplified distribution over parameters to stand in for the full posterior. Capturing model variations that remain consistent with training data enables more robust predictions by reducing parameter sensitivity. This work introduces a fixed-point optimization for variational inference that is applicable when every feasible log density can be expressed as a linear combination of functions from a given basis. In such cases, the optimizer becomes a fixed-point of projective integral updates. When the basis spans univariate quadratics in each parameter, the feasible distributions are Gaussian mean-fields and the projective integral updates yield quasi-Newton variational Bayes (QNVB). Other bases and updates are also possible. Since these updates require high-dimensional integration, this work begins by proposing an efficient quasirandom sequence of quadratures for mean-field distributions. Each iterate of the sequence contains two evaluation points that combine to correctly integrate all univariate quadratic functions and, if the mean-field factors are symmetric, all univariate cubics. More importantly, averaging results over short subsequences achieves periodic exactness on a much larger space of multivariate polynomials of quadratic total degree. The corresponding variational updates require four loss evaluations with standard (not second-order) backpropagation to eliminate error terms from over half of all multivariate quadratic basis functions. Furthermore, this integration technique is motivated by first proposing stochastic blocked mean-field quadratures, which may be useful in other contexts. A PyTorch implementation of QNVB allows for better control over model uncertainty during training than competing methods. Experiments demonstrate superior generalizability for multiple learning problems and architectures.

Gaussian mean-field↗

Riverine bacterioplankton and phytoplankton assembly along an environmental gradient induced by urbanization

In the Anthropocene, human activities are intensifying stresses on biological communities across ecosystems. Knowledge on how environmental changes influence microbial community dynamics is crucial but currently limited. Here we unraveled ecological processes generating distribution patterns of bacterioplankton and phytoplankton communities in a river draining an urbanizing watershed in southern China. In this ecosystem, longitudinal environmental heterogeneity and directional flow potentially have counteracting effects on planktonic community assembly. Using simultaneously multiple approaches, we showed that the observed compositional patterns result from an interplay of stochastic and deterministic processes, indicating that dispersal via fluvial connectivity could not override local selective pressures. Successional shifts in the relative importance of the above processes were associated with trends in climatic factors. High diversity was observed at the intermediate levels of ecological processes alongside intense inter-species interactions maintained by a few keystone taxa. Altogether, interactions between climatic conditions, landscape and hydrology control plankton community dynamics.

54 ENVIRONMENTAL SCIENCES↗

The Effect of Stochastically Varying Creep Parameters on Residual Stresses in Ceramic Matrix Composites

Constituent properties, along with volume fraction, have a first order effect on the microscale fields within a composite material and influence the macroscopic response. Therefore, there is a need to assess the significance of stochastic variation in the constituent properties of composites at the higher scales. The effect of variability in the parameters controlling the time-dependent behavior, in a unidirectional SCS-6 SiC fiber-reinforced RBSN matrix composite lamina, on the residual stresses induced during processing is investigated numerically. The generalized method of cells micromechanics theory is utilized to model the ceramic matrix composite lamina using a repeating unit cell. The primary creep phases of the constituents are approximated using a Norton-Bailey, steady state, power law creep model. The effect of residual stresses on the proportional limit stress and strain to failure of the composite is demonstrated. Monte Carlo simulations were conducted using a normal distribution for the power law parameters and the resulting residual stress distributions were predicted.

residual stress↗

The Effect of Stochastically Varying Creep Parameters on Residual Stresses in Ceramic Matrix Composites

Constituent properties, along with volume fraction, have a first order effect on the microscale fields within a composite material and influence the macroscopic response. Therefore, there is a need to assess the significance of stochastic variation in the constituent properties of composites at the higher scales. The effect of variability in the parameters controlling the time-dependent behavior, in a unidirectional SCS-6 SiC fiber-reinforced RBSN matrix composite lamina, on the residual stresses induced during processing is investigated numerically. The generalized method of cells micromechanics theory is utilized to model the ceramic matrix composite lamina using a repeating unit cell. The primary creep phases of the constituents are approximated using a Norton-Bailey, steady state, power law creep model. The effect of residual stresses on the proportional limit stress and strain to failure of the composite is demonstrated. Monte Carlo simulations were conducted using a normal distribution for the power law parameters and the resulting residual stress distributions were predicted.

processing↗

Uncertainty Error Modeling for Non-Linear State Estimation With Unsynchronized SCADA and µPMU Measurements

Distribution systems of the future smart grid require enhancements to the reliability of distribution system state estimation (DSSE) in the face of low measurement redundancy, unsynchronized measurements, and dynamic load profiles. Micro phasor measurement units (µPMUs) facilitate co-synchronized measurements with high granularity, albeit at an often prohibitively expensive installation cost. Supervisory control and data acquisition (SCADA) measurements can supplement µPMU data, although they are received at a slower sampling rate. Further complicating matters is the uncertainty associated with load dynamics and unsynchronized measurements–not only are the SCADA and µPMU measurements not synchronized with each other, but the SCADA measurements themselves are received at different time intervals with respect to one another. This paper proposes a non-linear state estimation framework which models dynamic load uncertainty error by updating the variances of the unsynchronized measurements, leading to a time-varying system of weights in the weighted least squares state estimator. Case studies are performed on the 33-Bus Distribution System in MATPOWER, using Ornstein–Uhlenbeck stochastic processes to simulate dynamic load conditions.

Cooper, Austin↗

Assessing the potential of composite confining systems for secure and long-term CO 2 retention in geosequestration

A potential geologic target for CO 2 storage should ensure secure containment of injected CO 2 . Traditionally, this objective has been achieved by targeting reservoirs with overlying seals-regionally extensive, low permeability units that have been proven capable of retaining buoyant fluid accumulations over geologic time. However, considering that the amount of CO 2 is limited by a decadal injection period, vertical migration of CO 2 can be effectively halted by a composite system of discontinuous shale/silt/mudstone barriers in bedded sedimentary rocks. Here, we studied the impact of depositional architectures in a composite confining system on CO 2 migration and confinement at reservoir scale. We stochastically generated lithologically heterogeneous reservoir models containing discontinuous barriers consistent with statistical distributions of net-sand-to-gross-shale ratio (NTG) and horizontal correlation lengths derived from well log data and observations of producing hydrocarbon fields in Southern Louisiana. We then performed an extensive suite of reservoir simulations of CO 2 injection and post-injection to evaluate the sensitivity of CO 2 plume migration and pressure response of the composite system to a series of geologic and fluid parameters including the lateral continuity of barriers, NTG, permeability anisotropy within the sand body, and capillary pressure contrast between the sand and shale facies. The results indicate that lateral continuity of barriers and NTG are the dominant controls on CO 2 plume geometry and pressure build-up in the reservoir, while the impact of NTG is particularly pronounced. The significance of intraformational barriers becomes apparent as they facilitate the local capillary trapping of CO 2 . Those barriers improve the pore space occupancy by promoting a more dispersed shape of the plume and ultimately retard the buoyancy-driven upward migration of the plume post injection.

58 GEOSCIENCES↗

Evaluating the Risk of Enabling Energy Storage Systems to Provide Multiple Services

Battery energy storage systems (BESS) are emerging as a promising, versatile technology for modern power grids due to their inherent distributed nature, their ability to inject bidirectional power flows and to provide multiple grid services. With the proliferation of intermittent renewable energy resources, the BESS procurement is also expected to increase, thereby creating systematic and strategic opportunities for BESS to various revenue streams for providing multiple grid services. Utilizing a co-simulation architecture, this work presents evaluation framework for enabling Utility-scale BESS with simultaneous provision of multiple services. The proposed framework is implemented on a real-life feeder modeled in GridLAB-D, leveraging multi-service grid support. A Risk-Aware control strategy is also implemented in this work that that takes into account the uncertain nature of some of the stochastic services and ensures the BESS to deliver their service commitments. This promotes overall grid reliability and encourages BESS implementation through the revenue streams from providing multiple grid services.

Theisen, John↗

Core Design of the Holos-Quad Microreactor

The Holos-Quad micro-reactor concept, developed by HolosGen LLC, is equipped with a 22 MWt (Mega-Watt thermal) core and an integral power conversion system converting the core thermal energy into approximately 10 MWe (Mega-Watt electric). This design can be configured to support a wide range of applications. It is a very innovative high-temperature gas-cooled reactor concept using TRI-structural ISOtropic particle fuel (TRISO) distributed in graphite hexagonal blocks, cooled with helium in a direct Brayton cycle independently executed by four Subcritical Power Modules (SPMs) fitted into a hardened 40-foot container whose dimensions are in compliance with ISO shipping containers requirements. In FY2019 HolosGen LLC was awarded by the Department of Energy Advanced Research Project Agency-Energy (DOE ARPA-E) under the MEITNER funding program. As part of the MEITNER award, the Argonne National Laboratory (ANL) contributed expertise through two specialized teams: The “Design Team” and the “Resource Team”. The Design Team was dedicated to validate feasibility of the Holos-Quad core and to optimize its core design through neutronics analyses. The Resource Team was dedicated to feasibility verification via high-fidelity codes of Holos-Quad thermal-hydraulic, heat transfer, shielding, and structural aspects. This report summarizes the activities conducted by ANL Design Team. A rigorous design approach based on multi-criteria optimization and code-to-code comparison involving stochastic and high-fidelity deterministic solutions was developed and employed at several evolutionary stages of the Holos-Quad design. Several generations of the Holos-Quad core were designed within this project before converging to the current full-scale Gen 2+ design that is detailed in this report. Figure EA-1 illustrates a cross-sectional view of Gen 2+ Holos-Quad core configuration, and Figure EA-2 provides a simplified perspective view of 1-of-4 SPMs. The Holos-Quad uses four thermal-hydraulically independent SPMs locked into stationary positions during power operation, surrounded by BeO reflector and structural component fully comprised within the dimensional constraints represented by traditional ISO containers. One of the benefits of this approach is to enable transportation of each SPM promptly after irradiation in shielded containers. The core is designed to operate for approximately 8 full-power years while the reactivity controls and power conversion system enable load-following operations. The reactivity controls are represented by independent, diversified, and redundant reactivity control systems based on control drums and redundant sets of shutdown rods. The high-fidelity simulation tools were used to assess detailed power and flux distributions of the three-dimensional full-core or quarter-core of the Gen 2+ configuration. Single-physics and multi-physics simulations of the neutronics code PROTEUS and the thermal-hydraulic code System Analysis Module (SAM) were performed to analyze the Holos design configurations with detailed high-fidelity solutions. The design work performed confirmed feasibility of the Holos-Quad concept, provided realistic design description for detailed design of the operational system, and identified several core design improvements to be further considered for future reactor development activities.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Probing the Atomic-Scale Structure of Amorphous Aluminum Oxide Grown by Atomic Layer Deposition

Atomic layer deposition (ALD) is a well-established technique for depositing nanoscale coatings with pristine control of film thickness and composition. The trimethylaluminum (TMA) and water (H 2 O) ALD chemistry is inarguably the most widely used and yet to date, we have little information about the atomic-scale structure of the amorphous aluminum oxide (AlO x ) formed by this chemistry. This lack of understanding hinders our ability to establish process-structure-property relationships and ultimately limits technological advancements employing AlOx made via ALD. In this work, we employ synchrotron high-energy X-ray diffraction (HE-XRD) coupled with pair distribution function (PDF) analysis to characterize the atomic structure of amorphous AlO x ALD coatings. We combine ex situ and in operando HE-XRD measurements on ALD AlO x and fit these experimental data using stochastic structural modeling to reveal variations in the Al-O bond length, Al and O coordination environment, and extent of Al vacancies as a function of growth conditions. In particular, the local atomic structure of ALD AlO x is found to change with the substrate and number of ALD cycles. The observed trends are consistent with the formation of bulk Al 2 O 3 surrounded by an O-rich surface layer. We deconvolute these data to reveal atomic-scale structural information for both the bulk and surface phases. Overall, this work demonstrates the usefulness of HE-XRD and PDF analysis in improving our understanding of the structure of amorphous ALD thin films and provides a pathway to evaluate how process changes impact the structure and properties of ALD films.

36 MATERIALS SCIENCE↗

Multi-Fidelity Stochastic Economic Dispatch for Operating Low Carbon Power Grids

Grid operators can address the inherently stochastic nature of renewables by solving a two-stage stochastic programming model that minimizes the cost of dispatch decisions while accounting for the complex grid dynamics. It is common to use a sample average approximation to estimate the expectation of the second stage costs in this model. However, the large sample count needed for numerical accuracy makes effective modeling large-scale electric grids computationally intractable. We introduce a control variate multi-fidelity estimator for the second-stage recourse that enables high quality dispatch decisions in real-time with a reduced computational burden. We obtain a hierarchy of model fidelities by linearizing the AC power flow system representation to DC power flow, and by relaxing transmission and voltage network constraints. We evaluate the performance of our proposed method on a synthetic grid with 73 buses against a deterministic baseline with persistence forecast and a high-fidelity reference. Our analysis shows a computational speed-up of 7.62x with a minimal loss in accuracy. The multi-fidelity method is well suited to fidelity combinations that use a simplified network topology in their lower fidelity model and is an attractive option for applications where accurate grid modeling needed on a limited computational budget.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Functional Traits Resolve Mechanisms Governing the Assembly and Distribution of Nitrogen-Cycling Microbial Communities in the Global Ocean

Microorganisms drive much of the marine nitrogen (N) cycle, which jointly controls the primary production in the global ocean. However, our understanding of the microbial communities driving the global ocean N cycle remains fragmented. Focusing on “who is doing what, where, and how?”, this study draws a clear picture describing the global biogeography of marine N-cycling microbial communities by utilizing the Tara Oceans shotgun metagenomes. The marine N-cycling communities are highly variable taxonomically but relatively even at the functional trait level, showing clear functional redundancy properties. The functional traits and taxonomic groups are shaped by the same set of geo-environmental factors, among which, depth is the major factor impacting marine N-cycling communities, differentiating mesopelagic from epipelagic communities. Latitudinal diversity gradients and distance-decay relationships are observed for taxonomic groups, but rarely or weakly for functional traits. The composition of functional traits is strongly deterministic as revealed by null model analysis, while a higher degree of stochasticity is observed for taxonomic composition. Integrating multiple lines of evidence, in addition to drawing a biogeographic picture of marine N-cycling communities, this study also demonstrated an essential microbial ecological theory—determinism governs the assembly of microbial communities performing essential biogeochemical processes; the environment selects functional traits rather than taxonomic groups; functional redundancy underlies stochastic taxonomic community assembly.

59 BASIC BIOLOGICAL SCIENCES↗

Expendable launch vehicle studies

Analytical support studies of expendable launch vehicles concentrate on the stability of the dynamics during launch especially during or near the region of maximum dynamic pressure. The in-plane dynamic equations of a generic launch vehicle with multiple flexible bending and fuel sloshing modes are developed and linearized. The information from LeRC about the grids, masses, and modes is incorporated into the model. The eigenvalues of the plant are analyzed for several modeling factors: utilizing diagonal mass matrix, uniform beam assumption, inclusion of aerodynamics, and the interaction between the aerodynamics and the flexible bending motion. Preliminary PID, LQR, and LQG control designs with sensor and actuator dynamics for this system and simulations are also conducted. The initial analysis for comparison of PD (proportional-derivative) and full state feedback LQR Linear quadratic regulator) shows that the split weighted LQR controller has better performance than that of the PD. In order to meet both the performance and robustness requirements, the H(sub infinity) robust controller for the expendable launch vehicle is developed. The simulation indicates that both the performance and robustness of the H(sub infinity) controller are better than that for the PID and LQG controllers. The modelling and analysis support studies team has continued development of methodology, using eigensensitivity analysis, to solve three classes of discrete eigenvalue equations. In the first class, the matrix elements are non-linear functions of the eigenvector. All non-linear periodic motion can be cast in this form. Here the eigenvector is comprised of the coefficients of complete basis functions spanning the response space and the eigenvalue is the frequency. The second class of eigenvalue problems studied is the quadratic eigenvalue problem. Solutions for linear viscously damped structures or viscoelastic structures can be reduced to this form. Particular attention is paid to Maxwell and Kelvin models. The third class of problems consists of linear eigenvalue problems in which the elements of the mass and stiffness matrices are stochastic. dynamic structural response for which the parameters are given by probabilistic distribution functions, rather than deterministic values, can be cast in this form. Solutions for several problems in each class will be presented.

Bainum, Peter M.↗

Stochastic Effects in Computational Biology of Space Radiation Cancer Risk

Estimating risk from space radiation poses important questions on the radiobiology of protons and heavy ions. We are considering systems biology models to study radiation induced repair foci (RIRF) at low doses, in which less than one-track on average transverses the cell, and the subsequent DNA damage processing and signal transduction events. Computational approaches for describing protein regulatory networks coupled to DNA and oxidative damage sites include systems of differential equations, stochastic equations, and Monte-Carlo simulations. We review recent developments in the mathematical description of protein regulatory networks and possible approaches to radiation effects simulation. These include robustness, which states that regulatory networks maintain their functions against external and internal perturbations due to compensating properties of redundancy and molecular feedback controls, and modularity, which leads to general theorems for considering molecules that interact through a regulatory mechanism without exchange of matter leading to a block diagonal reduction of the connecting pathways. Identifying rate-limiting steps, robustness, and modularity in pathways perturbed by radiation damage are shown to be valid techniques for reducing large molecular systems to realistic computer simulations. Other techniques studied are the use of steady-state analysis, and the introduction of composite molecules or rate-constants to represent small collections of reactants. Applications of these techniques to describe spatial and temporal distributions of RIRF and cell populations following low dose irradiation are described.

Cucinotta, Francis A.↗