SEARCH · Engineering Papers
Results for “Model optimization”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
Potential Flow Generator With L 2 Optimal Transport Regularity for Generative Models
Not provided.
MINLP for regularized symbolic regression with applications to data-driven modeling of critical minerals processes
The poster summarizes recent advances in symbolic regression developed as part of the PrOMMiS project over the past year. In particular, it describes the comparison of surrogates for critical minerals (CM) & rare earth element (REE) recovery flowsheets obtained via symbolic regression and ALAMO. It also compares the predictive ability and solvability of optimization models that incorporate these surrogates.
Laboratory Evaluation of Federated, Hierarchical Controls for Distribution Power System Management: Preprint
The connection of more loads and distributed energy resources (DERs) to the distribution power system brings both challenges and opportunities to system operators. There are opportunities to aggregate flexible loads and DERs to provide transmission grid services, but the coordinated actions of DERs being managed by independent, third-party DER aggregators to support transmission system operations can present challenges. We developed a federated DER management architecture and control framework that aims to manage heterogeneous DERs to deliver reliable transmission grid services while respecting distribution system constraints. The controls include stochastic day-ahead optimization, model predictive control, and a simple real-time management scheme. We present simulation results obtained from a realistic laboratory test bed of federated controls managing DERs within a substation service area to make the substation net power follow the optimal net power determined by the day-ahead optimization based on cost and limiting reverse power flow.
Optimization of energy requirements for CO 2 post-combustion capture process through advanced thermal integration
The energy optimization modeling work described here was performed to determine efficiency improvements that could be achieved for existing coal-fired power plants to retrofit a partial CO 2 capture from the post-combustion flue gas for carbon sequestration through thermal integration. The work presented includes optimization of the mono-ethanol amine (MEA)-based post-combustion CO 2 capture to reduce energy requirements that could be achieved at existing power plants by thermal integration of the steam turbine cycle, boiler, CO 2 compression train and post-combustion CO 2 capture process to offset efficiency and capacity losses that would be incurred by retrofit or implementation of post-combustion CO 2 capture. Furthermore, partial CO 2 capture, involving treatment of less than 100% of the flue gas leaving the plant and modular design of the CO 2 scrubbing system, was also investigated. Thermal integration of the steam turbine cycle with boiler and CO 2 compression train improved cycle and plant performance and offset, in part, the negative effects of post-combustion CO 2 capture. The best-analyzed integration options improved gross power output by 5% and net unit efficiency by 1.57%, relative to the conventional MEA process. Operating with 40% CO 2 capture increased gross power output by 11.6–14% (depending on the MEA thermal integration option), relative to the conventional MEA integration and 90% CO 2 capture. The improvement in net unit performance is larger compared to the improvement in turbine cycle performance because of the CO 2 compression work, which is also reduced by partial CO 2 capture.
Distributionally robust facility location problem under decision-dependent stochastic demand
While the traditional facility location problem considers exogenous demand, in some applications, locations of facilities could affect the willingness of customers to use certain types of services, e.g., carsharing, and therefore they also affect realizations of random demand. Moreover, a decision maker may not know the exact distribution of such endogenous demand and how it is affected by location choices. In this paper, we consider a distributionally robust facility location problem, in which we interpret the moments of stochastic demand as functions of facility-location decisions. We reformulate a two-stage decision-dependent distributionally robust optimization model as a monolithic formulation, and then derive exact mixed-integer linear programming reformulation as well as valid inequalities when the means and variances of demand are piecewise linear functions of location solutions. We conduct extensive computational studies, in which we compare our model with a decision-dependent deterministic model, as well as stochastic programming and distributionally robust models without the decision-dependent assumption. Here, the results show superior performance of our approach with remarkable improvement in profit and quality of service under various settings, in addition to computational speed-ups given by formulation enhancements. These results draw attention to the need of considering the impact of location decisions on customer demand within this strategic-level planning problem.
Optimized Renewable Energy Integration for EV High-Power Dynamic Wireless Charging Systems
Dynamic wireless charging for electric vehicles is an emerging technology to reduce on-board battery size and extend driving range. Due to its unique characteristic of vehicle-speed-related pulse-like load profile, the high-power dynamic wireless charging system (DWCS) introduces high stress to the utility grid. In this paper, an optimization model for renewable energy integration in the DWCS is proposed to mitigate the grid impact and minimize the operation costs of the whole system. As the load profile of DWCS is related to the traffic volume and various approaching vehicle speeds, the annual average daily traffic data and a stochastic model are used to develop 24-hour load profile of DWCS. To find a tradeoff between grid impact mitigation and operation costs minimization, relationships among power demand from power grid, photovoltaic (PV) capacity, wind energy (WE) capacity and energy storage (ES) capacity are analyzed, and the optimization objective and constraints are developed. Numerical simulation results demonstrate that energy storage integration can greatly mitigate the grid impact of DWCS, and optimal ratio of PV and WE can significantly reduce the operation cost of DWCS.
Robust Scheduling of Microgrids Considering Unintentional Islanding Conditions
This paper proposes a robust scheduling model for microgrids considering the stochastic unintentional islanding conditions. The proposed model minimizes the total operating cost of the microgrid by efficiently coordinating the supply of power from local distributed energy resources and the main grid. To capture the prevailing uncertainties in renewable generation and demand as well as unintentional islanding conditions, a two-stage adaptive robust optimization model is formulated to minimize the total operating cost under the worst realization of the modeled uncertainties. The column and constraint generation (C&CG) method is used to solve the problem in an iterative manner. The solution of the proposed scheduling model ensures robust microgrid operation in consideration of all possible realization of renewable generation, demand and unintentional islanding condition. Numerical simulations on a microgrid consisting of a wind turbine, a PV panel, a fuel cell, two micro-turbines, a diesel generator and a battery demonstrate the effectiveness of the proposed approach.
Thermodynamics of order and randomness in dopant distributions inferred from atomically resolved imaging
Abstract Exploration of structure-property relationships as a function of dopant concentration is commonly based on mean field theories for solid solutions. However, such theories that work well for semiconductors tend to fail in materials with strong correlations, either in electronic behavior or chemical segregation. In these cases, the details of atomic arrangements are generally not explored and analyzed. The knowledge of the generative physics and chemistry of the material can obviate this problem, since defect configuration libraries as stochastic representation of atomic level structures can be generated, or parameters of mesoscopic thermodynamic models can be derived. To obtain such information for improved predictions, we use data from atomically resolved microscopic images that visualize complex structural correlations within the system and translate them into statistical mechanical models of structure formation. Given the significant uncertainties about the microscopic aspects of the material’s processing history along with the limited number of available images, we combine model optimization techniques with the principles of statistical hypothesis testing. We demonstrate the approach on data from a series of atomically-resolved scanning transmission electron microscopy images of Mo x Re 1- x S 2 at varying ratios of Mo/Re stoichiometries, for which we propose an effective interaction model that is then used to generate atomic configurations and make testable predictions at a range of concentrations and formation temperatures.
An Efficient Power Flexibility Aggregation Framework via Coordinate Transformation and Chebyshev Centering Optimization
The large-scale integration of distributed energy resources (DERs) converts the role of a distribution system from a customer to a prosumer. In this context, the controllable DERs are expected to provide capacity support for the transmission system, which can be considered as power flexibility aggregation. Specifically, it is a process of controlling the power output of DERs to fulfill the desired capacity or flexibility. However, the power output of DERs as control variables is redundant. That is, a power flexibility command can be realized by multiple dispatch alternatives, which may hinder efficient design of control rules and flexibility evaluation schemes. Therefore, this paper introduces a conception of the artificial power flexibility controller to avoid the redundancy issue, which is a converted control variable after reconstructing the DER power region. Through this reconstruction, the DERs can be indirectly controlled by the proposed artificial power flexibility controller. In addition, a Chebyshev centering optimization model is developed to approximate the power flexibility region. At last, the proposed method is verified on an artificially-designed network with multiple DERs.
Multiscale simulations reveal TDP-43 molecular-level interactions driving condensation
The RNA-binding protein TDP-43 is associated with mRNA processing and transport from the nucleus to the cytoplasm. TDP-43 localizes in the nucleus as well as accumulating in cytoplasmic condensates such as stress granules. Aggregation and formation of amyloid-like fibrils of cytoplasmic TDP-43 are hallmarks of numerous neurodegenerative diseases, most strikingly present in >90% of amyotrophic lateral sclerosis (ALS) patients. If excessive accumulation of cytoplasmic TDP-43 causes, or is caused by, neurodegeneration is presently not known. In this work, we use molecular dynamics simulations at multiple resolutions to explore TDP-43 self- and cross-interaction dynamics. A full-length molecular model of TDP-43, all 414 amino acids, was constructed from select structures of the protein functional domains (N-terminal domain, and two RNA recognition motifs, RRM1 and RRM2) and modeling of disordered connecting loops and the low complexity glycine-rich C-terminus domain. All-atom CHARMM36m simulations of single TDP-43 proteins served as guides to construct a coarse-grained Martini 3 model of TDP-43. The Martini model and a coarser implicit solvent Cα model, optimized for disordered proteins, were subsequently used to probe TDP-43 interactions; self-interactions from single-chain full-length TDP-43 simulations, cross-interactions from simulations with two proteins and simulations with assemblies of dozens to hundreds of proteins. Our findings illustrate the utility of different modeling scales for accessing TDP-43 molecular-level interactions and suggest that TDP-43 has numerous interaction preferences or patterns, exhibiting an overall strong, but dynamic, association and driving the formation of biomolecular condensates.
Bayesian automated weighting of aggregated DFT, MD, and experimental data for candidate thermodynamic models of aluminum with uncertainty quantification
Atomic-scale modeling methods such as density functional theory (DFT) and molecular dynamics (MD) can predict the thermodynamic properties of materials at a lower cost than experimental measurements. However, their regular usage in thermodynamic model construction is hampered by the lack of quantitative agreement with experimental measurements and the lack of uncertainty estimates on the data. To make regular usage of this atomistic simulation data, it is important to assess whether the atomistic simulation datasets, by themselves or in combination with experimental measurements, result in the same physics-informed models best supported by experimental measurements alone. Here, models of aluminum thermodynamic properties are discussed using three data sources: atomistic calculations (DFT and MD), experiments, and a combination of atomistic calculations and experiments. The study shows that, after ensuring self-consistency in predicting key invariant points, both experimental measurements and atomistic calculations can significantly contribute to an optimal model.
When Spectral Modeling Meets Convolutional Networks: A Method for Discovering Reionization-era Lensed Quasars in Multiband Imaging Data
Over the last two decades, around 300 quasars have been discovered at z ≳ 6, yet only one has been identified as being strongly gravitationally lensed. We explore a new approach—enlarging the permitted spectral parameter space, while introducing a new spatial geometry veto criterion—which is implemented via image-based deep learning. We first apply this approach to a systematic search for reionization-era lensed quasars, using data from the Dark Energy Survey, the Visible and Infrared Survey Telescope for Astronomy Hemisphere Survey, and the Wide-field Infrared Survey Explorer. Our search method consists of two main parts: (i) the preselection of the candidates, based on their spectral energy distributions (SEDs), using catalog-level photometry; and (ii) relative probability calculations of the candidates being a lens or some contaminant, utilizing a convolutional neural network (CNN) classification. The training data sets are constructed by painting deflected point-source lights over actual galaxy images, to generate realistic galaxy–quasar lens models, optimized to find systems with small image separations, i.e., Einstein radii of θ E ≤ 1''. Visual inspection is then performed for sources with CNN scores of P lens > 0.1, which leads us to obtain 36 newly selected lens candidates, which are awaiting spectroscopic confirmation. These findings show that automated SED modeling and deep learning pipelines, supported by modest human input, are a promising route for detecting strong lenses from large catalogs, which can overcome the veto limitations of primarily dropout-based SED selection approaches.
Constrained Block Nonlinear Neural Dynamical Models
Neural network modules conditioned by known priors can be effectively trained and combined to represent systems with nonlinear dynamics. This work explores a novel formulation for data-efficient learning of deep control-oriented nonlinear dynamical models by embedding local model structure and constraints. The proposed method consists of neural network blocks that represent input, state, and output dynamics with constraints placed on the network weights and system variables. For handling partially observable dynamical systems, we utilize a state observer neural network to estimate the states of the system's latent dynamics. We evaluate the performance of the proposed architecture and training methods on system identification tasks for three nonlinear systems: a continuous stirred tank reactor, a two tank interacting system, and an aerodynamics body. Models optimized with a few thousand system state observations accurately represent system dynamics in open loop simulation over thousands of time steps from a single set of initial conditions. Experimental results demonstrate an order of magnitude reduction in open-loop simulation mean squared error for our constrained, block-structured neural models when compared to traditional unstructured and unconstrained neural network models.
Marine energy supported multi-energy system planning and operation optimization for sustainable coastal community
The growing need for sustainable energy solutions in coastal areas necessitates the development of integrated systems that leverage abundant marine resources. In this study, a standalone Marine Energy Supported Multi-Energy System (MRE-MES) is designed for sustainable coastal community development, utilizing renewable marine resources, including offshore wind, wave, and solar energy, to address the energy needs of electricity, heat, freshwater, and hydrogen. The proposed MRE-MES incorporates a co-optimization model that simultaneously balances capacity planning and operational efficiency to minimize costs and environmental impacts. The system is tested under different renewable energy penetration levels and demand uncertainties, using a two-stage stochastic programming to account for variability in renewable resources and consumption needs. The experimental results indicate that in the optimal system capacity configuration, the percentage of total renewable energy generation is around 80 %, with or without capacity limitation constraints on PV, water tank, and hydrogen storage. Compared to the worst-case scenario in Monte Carlo experiments, two-stage stochastic optimization results in a more robust decision that effectively mitigates the risks posed by future uncertain demand conditions. In conclusion, the findings highlight the viability of marine energy for providing a resilient, comprehensive energy solution to coastal communities.
Toward digital design at the exascale: An overview of project ICECap
High performance computing has entered the Exascale Age. Capable of performing over 1018 floating point operations per second, exascale computers, such as El Capitan, the National Nuclear Security Administration's first, have the potential to revolutionize the detailed in-depth study of highly complex science and engineering systems. However, in addition to these kind of whole machine “hero” simulations, exascale systems could also enable new paradigms in digital design by making petascale hero runs routine. Currently, untenable problems in complex system design, optimization, model exploration, and scientific discovery could all become possible. Motivated by the challenge of uncovering the next generation of robust high-yield inertial confinement fusion (ICF) designs, project ICECap (Inertial Confinement on El Capitan) attempts to integrate multiple advances in machine learning (ML), scientific workflows, high performance computing, GPU-acceleration, and numerical optimization to prototype such a future. Built on a general framework, ICECap is exploring how these technologies could broadly accelerate scientific discovery on El Capitan. In addition to our requirements, system-level design, and challenges, we describe some of the key technologies in ICECap, including ML replacements for multiphysics packages, tools for human-machine teaming, and algorithms for multifidelity design optimization under uncertainty. As a test of our prototype pre-El Capitan system, we advance the state-of-the art for ICF hohlraum design by demonstrating the optimization of a 17-parameter National Ignition Facility experiment and show that our ML-assisted workflow makes design choices that are consistent with physics intuition, but in an automated, efficient, and mathematically rigorous fashion.
Distribution Market-Clearing and Pricing Considering Coordination of DSOs and ISO: An EPEC Approach
Distribution-level electricity market provides a platform for trading energy and grid services from large-amount of small-scale distributed energy resources (DERs) located on distribution grids. The behavior of the DERs in the distribution electricity market may ultimately impact the market-clearing and locational marginal prices (LMPs) in the wholesale market. This paper proposes a bi-level optimization model for distribution market clearing and distribution locational marginal pricing (DLMP) considering the interactions between distribution and transmission wholesale markets. In the proposed model, the upper-level model represents the distribution system operator (DSO) market-clearing and the lower-level model represents the wholesale market-clearing by the independent system operator (ISO). The LMP at the substation will impact the DER dispatch and power demands of the DSO as well as the DLMP. In turn, the power demands of the DSO will further impact the ISO market and its LMPs. The equilibrium problem with equilibrium constraints (EPEC) approach is applied to find the equilibria of multiple DSOs and the ISO. The EPEC problem is transformed into a single-level mixed-integer convex problem in order to allow for efficient solving. Finally, the effectiveness of the proposed model and solution method are demonstrated through case studies.
Method and apparatus for shape-based energy analysis of solids
A computer-readable medium stores instructions including storing a model of a physical structure and defining a mesh for the model. The mesh includes finite elements, each defined by a respective set of edges. The instructions include, for each finite element, identifying a governing differential equation and a set of complementary functions that exactly satisfy the governing differential equation. The instructions include determining an applied physical stimulus for the physical structure. The instructions include generating an energy optimization model that minimizes a difference between internal energy and external energy of the finite elements in response to the applied physical stimulus. The model includes a matrix of respective scalar multipliers for the complementary functions for each finite element. The instructions include transforming the matrix and calculating a physical parameter of interest. The instructions include, in response to the physical parameter not satisfying a design parameter, updating the model of the physical structure.