In many applications, one can only access the inexact gradients and inexact hessian times vector products. Thus it is essential to consider algorithms that can handle such inexact quantities with a guaranteed convergence to solution. An inexact adaptive and provably convergent semismooth Newton method is considered to solve constrained optimization problems. In particular, dynamic optimization problems, which are known to be highly expensive, are the focus. A memory efficient semismooth Newton algorithm is introduced for these problems. The source of efficiency and inexactness is the randomized matrix sketching. Applications to optimization problems constrained by partial differential equations are also considered.
The siting of nuclear waste is a process that requires consideration of concerns of the public. This report demonstrates the significant potential for natural language processing techniques to gain insights into public narratives around “nuclear waste.” Specifically, the report highlights that the general discourse regarding “nuclear waste” within the news media has fluctuated in prevalence compared to “nuclear” topics broadly over recent years, with commonly mentioned entities reflecting a limited variety of geographies and stakeholders. General sentiments within the “nuclear waste” articles appear to use neutral language, suggesting that a scientific or “facts-only” framing of “waste”-related issues dominates coverage; however, the exact nuances should be further evaluated. The implications of a number of these insights about how nuclear waste is framed in traditional media (e.g., regarding emerging technologies, historical events, and specific organizations) are discussed. This report lays the groundwork for larger, more systematic research using, for example, transformer-based techniques and covariance analysis to better understand relationships among “nuclear waste” and other nuclear topics, sentiments of specific entities, and patterns across space and time (including in a particular region). By identifying priorities and knowledge needs, these data-driven methods can complement and inform engagement strategies that promote dialogue and mutual learning regarding nuclear waste.
The diesel-piloted dual-fuel compression ignition combustion strategy is well-suited to accelerate the decarbonization of transportation by adopting hydrogen as a renewable energy carrier into the existing internal combustion engine with minimal engine modifications. Despite the simplicity of engine modification, many questions remain unanswered regarding the optimal pilot injection strategy for reliable ignition with minimum pilot fuel consumption. The present study uses a single-cylinder heavy-duty optical engine to explore the phenomenology and underlying mechanisms governing the pilot fuel ignition and the subsequent combustion of a premixed hydrogen-air charge. The engine is operated in a dual-fuel mode with hydrogen premixed into the engine intake charge with a direct pilot injection of n-heptane as a diesel pilot fuel surrogate. Optical diagnostics used to visualize in-cylinder combustion phenomena include high-speed IR imaging of the pilot fuel spray evolution as well as high-speed HCHO* and OH* chemiluminescence as indicators of low-temperature and high-temperature heat release, respectively. Three pilot injection strategies are compared to explore the effects of pilot fuel mass, injection pressure, and injection duration on the probability and repeatability of successful ignition. The thermodynamic and imaging data analysis supported by zero-dimensional chemical kinetics simulations revealed a complex interplay between the physical and chemical processes governing the pilot fuel ignition process in a hydrogen containing charge. Hydrogen strongly inhibits the ignition of pilot fuel mixtures and therefore requires longer injection duration to create zones with sufficiently high pilot fuel concentration for successful ignition. Results show that ignition typically tends to rely on stochastic pockets with high pilot fuel concentration, which results in poor repeatability of combustion and frequent misfiring. This work has improved the understanding on how the unique chemical properties of hydrogen pose a challenge for maximization of hydrogen's energy share in hydrogen dual-fuel engines and highlights a potential mitigation pathway.
Before residential photovoltaic (PV) systems are interconnected with the grid, various planning and impact studies are conducted on detailed models of the system to ensure safety and reliability are maintained. However, these model-based analyses can be time-consuming and error-prone, representing a potential bottleneck as the pace of PV installations accelerates. Data-driven tools and analyses provide an alternate pathway to supplement or replace their model-based counterparts. In this article, a data-driven algorithm is presented for assessing the thermal limitations of PV interconnections. Using input data from residential smart meters, and without any grid models or topology information, the algorithm can determine the nameplate capacity of the service transformer supplying those customers. The algorithm was tested on multiple datasets and predicted service transformer capacity with >98% accuracy, regardless of existing PV installations. This algorithm has various applications from model-free thermal impact analysis for hosting capacity studies to error detection and calibration of existing grid models.
Comparison of pure sinusoidal vibration to random vibration or combinations of the two is an important and useful subject for dynamic testing. The objective of this chapter is to succinctly document the technical background for converting a sine-sweep test specification into an equivalent random vibration test specification. The information can also be used in reverse, i.e., to compare a random vibe spec with a sine-sweep, although that is less common in practice. Because of inherent assumptions involved in such conversions, it is always preferable to test to original specifications and conduct this conversion when other options are impractical. This chapter outlines the theoretical premise and relevant equations. An example of implementation with hypothetical but realistic data is provided that captures the conversion of a sinusoid to an equivalent ASD. The example also demonstrates how to account for the rate of sine-sweep to the duration of the random vibration. A significant content of this chapter is the discussion on the statistical distribution of peaks in a narrow-band random signal and the consequences of that on the damage imparted to a structure. Numerical simulations were carried out to capture the effect of various combinations of narrow-band random and pure sinusoid superimposed on each other. The consequences of this are captured to provide guidance on accuracy and conservatism.
Ionic liquid (IL) pretreatment methods show incredible promise for the efficient conversion of lignocellulosic feedstocks to fuels and chemicals. Given their low vapor pressures, distillation-based methods of extracting ionic liquids out of biomass post-pretreatment have historically been ignored in favor of alternative methods. We demonstrate a process to distill four acetate-based ionic liquids ([EthA][OAc], [PropA][OAc], [MAEthA][OAc], and [DMAEthA][OAc]) at low pressure and high purity that overcome some disadvantages of “water washing” and “one pot” recovery methods. Out of four tested ILs, ethanolamine acetate ([EthA][OAc]) is shown to have the most agreeable conversion metrics for commercial bioconversion processes achieving 73.6 % and 51.4 % of theoretical glucose and xylose yields respectively and >85 % recovery rates. Our process metrics are factored into a techno-economic analysis where [EthA][OAc] distillation is compared to other recovery methods as well as ethanolamine pretreatment at both milliliter and liter scales. Although our TEA shows [EthA][OAc] distillation underperforming against other processes, we show a step-by-step avenue to reduce sugar production cost below the wholesale dextrose price at scale.
Plenoptic background-oriented schlieren is a diagnostictechnique that enables the measure-ment of three-dimensional refractive gradients by a combination of background-oriented schlieren and a plenoptic light field camera. This plenoptic camera is a modification of a traditional camera via the insertion of an array of microlenses between the imaging lens and digital sensor. This allows the collection of both spatial and angular information on the incoming light rays and therefore provides three-dimensional information about the imaged scene. Background-oriented schlieren requires a relatively simple experimental configurationincludingonlyacameraviewing a patterned background through the density field of interest. By using a plenoptic camera to capture background-oriented schlieren images the optical distortion created by density gradients in three dimensions can be measured. This chapter is intended to review critical developments in plenoptic background-oriented schlieren imaging and provide an outlook for future applications of this measurement technique.
Gallium nitride (GaN)-based nanoscale vacuum electron devices, which offer advantages of both traditional vacuum tube operation and modern solid-state technology, are attractive for radiation-hard applications due to the inherent radiation hardness of vacuum electron devices and the high radiation tolerance of GaN. Here, we investigate the radiation hardness of top-down fabricated n-GaN nanoscale vacuum electron diodes (NVEDs) irradiated with 2.5-MeV protons (p) at various doses. We observe a slight decrease in forward current and a slight increase in reverse leakage current as a function of cumulative protons fluence due to a dopant compensation effect. The NVEDs overall show excellent radiation hardness with no major change in electrical characteristics up to a cumulative fluence of 5E14 p/cm2, which is significantly higher than the existing state-of-the-art radiation-hardened devices to our knowledge. The results show promise for a new class of GaN-based nanoscale vacuum electron devices for use in harsh radiation environments and space applications.
Optimization is a key tool for scientific and engineering applications; however, in the presence of models affected by uncertainty, the optimization formulation needs to be extended to consider statistics of the quantity of interest. Optimization under uncertainty (OUU) deals with this endeavor and requires uncertainty quantification analyses at several design locations; i.e., its overall computational cost is proportional to the cost of performing a forward uncertainty analysis at each design location. An OUU workflow has two main components: an inner loop strategy for the computation of statistics of the quantity of interest, and an outer loop optimization strategy tasked with finding the optimal design, given a merit function based on the inner loop statistics. In this work, we propose to alleviate the cost of the inner loop uncertainty analysis by leveraging the so-called multilevel Monte Carlo (MLMC) method, which is able to allocate resources over multiple models with varying accuracy and cost. The resource allocation problem in MLMC is formulated by minimizing the computational cost given a target variance for the estimator. We consider MLMC estimators for statistics usually employed in OUU workflows and solve the corresponding allocation problem. For the outer loop, we consider a derivative-free optimization strategy implemented in the SNOWPAC library; our novel strategy is implemented and released in the Dakota software toolkit. We discuss several numerical test cases to showcase the features and performance of our approach with respect to its Monte Carlo single fidelity counterpart.
Multiple-input/multiple-output (MIMO) vibration control often relies on a least-squares solution utilizing a matrix pseudo-inverse. While this is simple and effective for many cases, it lacks flexibility in assigning preference to specific control channels or degrees of freedom (DOFs). For example, the user may have some DOFs where accuracy is very important and other DOFs where accuracy is less important. This chapter shows a method for assigning weighting to control channels in the MIMO vibration control process. These weights can be constant or frequency-dependent functions depending on the application. An algorithm is presented for automatically selecting DOF weights based on a frequency-dependent data quality metric to ensure the control solution is only using the best, linear data. An example problem is presented to demonstrate the effectiveness of the weighted solution.
Tabulated chemistry models are widely used to simulate large-scale turbulent fires in applications including energy generation and fire safety. Tabulation via piecewise Cartesian interpolation suffers from the curse-of-dimensionality, leading to a prohibitive exponential growth in parameters and memory usage as more dimensions are considered. Artificial neural networks (ANNs) have attracted attention for constructing surrogates for chemistry models due to their ability to perform high-dimensional approximation. However, due to well-known pathologies regarding the realization of suboptimal local minima during training, in practice they do not converge and provide unreliable accuracy. Partition of unity networks (POUnets) are a recently introduced family of ANNs which preserve notions of convergence while performing high-dimensional approximation, discovering a mesh-free partition of space which may be used to perform optimal polynomial approximation. We assess their performance with respect to accuracy and model complexity in reconstructing unstructured flamelet data representative of nonadiabatic pool fire models. Our results show that POUnets can provide the desirable accuracy of classical spline-based interpolants with the low memory footprint of traditional ANNs while converging faster to significantly lower errors than ANNs. For example, we observe POUnets obtaining target accuracies in two dimensions with 40 to 50 times less memory and roughly double the compression in three dimensions. We also address the practical matter of efficiently training accurate POUnets by studying convergence over key hyperparameters, the impact of partition/basis formulation, and the sensitivity to initialization.
In this work, we evaluate the usefulness of nonsmooth basis functions for representing the periodic response of a nonlinear system subject to contact/impact behavior. As with sine and cosine basis functions for classical Fourier series, which have C∞ smoothness, nonsmooth counterparts with C0 smoothness are defined to develop a nonsmooth functional representation of the solution. Some properties of these basis functions are outlined, such as periodicity, derivatives, and orthogonality, which are useful for functional series applied via the Galerkin method. Least-squares fits of the classical Fourier series and nonsmooth basis functions are presented and compared using goodness-of-fit metrics for time histories from vibro-impact systems with varying contact stiffnesses. This formulation has the potential to significantly reduce the computational cost of harmonic balance solvers for nonsmooth dynamical systems. Rather than requiring many harmonics to capture a system response using classical, smooth Fourier terms, the frequency domain discretization could be captured by a combination of a finite Fourier series supplemented with nonsmooth basis functions to improve convergence of the solution for contact-impact problems.
We consider the problem of decentralized control of reactive power provided by distributed energy resources for voltage support in the distribution grid. We assume that the reactance matrix of the grid is unknown and potentially time-varying. We present a decentralized adaptive controller in which the reactive power at each inverter is set using a potentially heterogeneous droop curve and analyze the stability and the steady-state error of the resulting system. The effectiveness of the controller is validated in simulations using a modified version of the IEEE 13-bus and a 8500-node test system.
Analytic relations that describe crack growth are vital for modeling experiments and building a theoretical understanding of fracture. Upon constructing an idealized model system for the crack and applying the principles of statistical thermodynamics, it is possible to formulate the rate of thermally activated crack growth as a function of load, but the result is analytically intractable. Here, an asymptotically correct theory is used to obtain analytic approximations of the crack growth rate from the fundamental theoretical formulation. These crack growth rate relations are compared to those that exist in the literature and are validated with respect to Monte Carlo calculations and experiments. The success of this approach is encouraging for future modeling endeavors that might consider more complicated fracture mechanisms, such as inhomogeneity or a reactive environment.
For turbulent reacting flow systems, identification of low-dimensional representations of the thermo-chemical state space is vitally important, primarily to significantly reduce the computational cost of device-scale simulations. Principal component analysis (PCA), and its variants, are a widely employed class of methods. Recently, an alternative technique that focuses on higher-order statistical interactions, co-kurtosis PCA (CoK-PCA), has been shown to effectively provide a low-dimensional representation by capturing the stiff chemical dynamics associated with spatiotemporally localized reaction zones. While its effectiveness has only been demonstrated based on a priori analyses with linear reconstruction, in this work, we employ nonlinear techniques to reconstruct the full thermo-chemical state and evaluate the efficacy of CoK-PCA compared to PCA. Specifically, we combine a CoK-PCA-/PCA-based dimensionality reduction (encoding) with an artificial neural network (ANN) based reconstruction (decoding) and examine, a priori, the reconstruction errors of the thermo-chemical state. In addition, we evaluate the errors in species production rates and heat release rates, which are nonlinear functions of the reconstructed state, as a measure of the overall accuracy of the dimensionality reduction technique. We employ four datasets to assess CoK-PCA/PCA coupled with ANN-based reconstruction: zero-dimensional (homogeneous) reactor for autoignition of an ethylene/air mixture that has conventional single-stage ignition kinetics, a dimethyl ether (DME)/air mixture which has two-stage (low and high temperature) ignition kinetics, a one-dimensional freely propagating premixed ethylene/air laminar flame, and a two-dimensional dataset representing turbulent autoignition of ethanol in a homogeneous charge compression ignition (HCCI) engine. Results from the analyses demonstrate the robustness of the CoK-PCA based low-dimensional manifold with ANN reconstruction in accurately capturing the data, specifically from the reaction zones.
While recent research has greatly improved our ability to test and model nonlinear dynamic systems, it is rare that these studies quantify the effect that the nonlinearity would have on failure of the structure of interest. While several very notable exceptions certainly exist, such as the work of Hollkamp et al. on the failure of geometrically nonlinear skin panels for high speed vehicles (see, e.g., Gordon and Hollkamp, Reduced-order models for acoustic response prediction. Technical Report AFRL-RB-WP-TR-2011-3040, Air Force Research Laboratory, AFRL-RB-WP-TR-2011-3040, Dayton, 2011. Issue: AFRL-RB-WP-TR-2011-3040AFRL-RB-WP-TR-2011-3040), other studies have given little consideration to failure. This work studies the effect of common nonlinearities on the failure (and failure margins) of components that undergo durability testing in dynamic environments. This context differs from many engineering applications because one usually assumes that any nonlinearities have been fully exercised during the test.
Disposal of commercial spent nuclear fuel in a geologic repository is studied. In situ heater experiments in underground research laboratories provide a realistic representation of subsurface behavior under disposal conditions. This study describes process model development and modeling analysis for a full-scale heater experiment in opalinus clay host rock. The results of thermal-hydrology simulation, solving coupled nonisothermal multiphase flow, and comparison with experimental data are presented. The modeling results closely match the experimental data.
Interim dry storage of spent nuclear fuel involves storing the fuel in welded stainless-steel canisters. Under certain conditions, the canisters could be subjected to environments that may promote stress corrosion cracking leading to a risk of breach and release of aerosol-sized particulate from the interior of the canister to the external environment through the crack. Research is currently under way by several laboratories to better understand the formation and propagation of stress corrosion cracks, however little work has been done to quantitatively assess the potential aerosol release. The purpose of the present work is to introduce a reliable generic numerical model for prediction of aerosol transport, deposition, and plugging in leak paths similar to stress corrosion cracks, while accounting for potential plugging from particle deposition. The model is dynamic (changing leak path geometry due to plugging) and it relies on the numerical solution of the aerosol transport equation in one dimension using finite differences. The model’s capabilities were also incorporated into a Graphical User Interface (GUI) that was developed to enhance user accessibility. Model validation efforts presented in this paper compare the model’s predictions with recent experimental data from Sandia National Laboratories (SNL) and results available in literature. We expect this model to improve the accuracy of consequence assessments and reduce the uncertainty of radiological consequence estimations in the remote event of a through-wall breach in dry cask storage systems.
Multi-axis testing has become a popular test method because it provides a more realistic simulation of a field environment when compared to traditional vibration testing. However, field data may not be available to derive the multi-axis environment. This means that methods are needed to generate “virtual field data” that can be used in place of measured field data. Transfer path analysis (TPA) has been suggested as a method to do this since it can be used to estimate the excitation forces on a legacy system and then apply these forces to a new system to generate virtual field data. This chapter will provide a review of using TPA methods to do this. It will include a brief background on TPA, discuss the benefits of using TPA to compute virtual field data, and delve into the areas for future work that could make TPA more useful in this application.
Additive manufacturing has ushered in a new paradigm of bottom-up materials-by-design of spatially non-uniform materials. Functionally graded materials have locally tailored compositions to provide optimized global properties and performance. In this letter, we propose an opportunity for the application of graded magnetic materials as lens elements for charged particle optics. A Hiperco50/Hymu80 (FeCo-2 V/Fe-80Ni-5Mo) graded magnetic alloy was successfully additively manufactured via Laser Directed Energy Deposition with spatially varying magnetic properties. The compositional gradient is then applied using computational simulations to demonstrate how a tailored material can enhance the magnetic performance of a critical, image-forming component of a transmission electron microscope.