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At least 1,207 records · Page 67

Gibbs Energy Minimization Model for Solvent Extraction with Application to Rare-Earths Recovery

The emergence of technologies in which rare-earth elements provide critical functionality has increased the demand for these materials, with important implications for supply security. Recycling provides an option for mitigating supply risk and for creating economic value from the resale of recovered materials. While solvent extraction is a proven technology for rare-earth recovery and separation, its application often requires extensive trial-and-error experimentation to estimate parameter values and determine experimental design configurations. We describe a modeling strategy based on Gibbs energy minimization that incorporates parameter estimation for required thermodynamic properties as well as process design for solvent extraction and illustrate its applicability to rare earths separation. Visualization analysis during parameter estimation revealed a linear relationship between the standard enthalpies of the extractant and respective organo-metal complexes, analogous to the additivity principle for predicting molar volumes of organic compounds. Establishing this relationship reduced the size of the parameter estimation problem and yielded good agreement between model predictions and reported equilibrium extraction data, validating the property estimates for the organic phase species. Design exploration and optimization results map the space of feasible solvent extraction column configurations and identify the set of optimal design parameter values that meet recovery and purity targets.

Critical materials↗

Integration of Low-Fidelity MDO and CFD-Based Redesign of Low-Boom Supersonic Transports

A mixed-fidelity low-boom multidisciplinary optimization (MDO) problem is formulated for integration of low-fidelity MDO and computational fluid dynamics (CFD) based low-boom inverse design optimization. The mixed-fidelity low-boom MDO problem aims to enforce the weight consistency for CFD-based low-boom inverse design optimization: the optimum low-boom configuration is designed for the weight at the start of cruise of the same configuration for the low-boom overland mission. Moreover, it also seeks the optimum trades among the maximum takeoff gross weight (MTOGW), cruise Mach, and range for the low-boom overland mission while meeting the requirement of flying a transatlantic overwater mission. A block coordinate optimization (BCO) method is developed to find an approximate solution of the mixed-fidelity low-boom MDO problem. The BCO method is successfully applied to generate two CFD-based low-boom configurations that closely match two reversed equivalent area targets with ground noise levels below 70 PLdB, respectively. Moreover, these CFD-based low-boom configurations can be obtained with minor wing modifications from the solutions of the low-fidelity MDO problem. The low-fidelity MDO solutions are Pareto points for constrained multiobjective optimization of MTOGW, low-boom cruise Mach, and low-boom range. The best low-boom concept has a predetermined fuselage shape tailored for passengers and main gear storage, carries 40 passengers at seat pitch of 48 in, flies a low-boom overland mission with cruise Mach of 1.8 and range of 2,950 nm, cruises overwater at Mach 1.8 with range of 3,600 nm, satisfies the specified constraints for landing/cruise/takeoff, has MTOGW of 145,164 lb, trims the low-boom cruise flight with fuel redistributions instead of control surface deflections, and has a reversed equivalent area distribution closely matching a target with ground noise level below 70 PLdB.

low-boom supersonic transports↗

Integration of Low-Fidelity MDO and CFD-Based Redesign of Low-Boom Supersonic Transports

A mixed-fidelity low-boom multidisciplinary optimization (MDO) problem is formulated for integration of low-fidelity MDO and computational fluid dynamics (CFD) based low-boom inverse design optimization. The mixed-fidelity low-boom MDO problem aims to enforce the weight consistency for CFD-based low-boom inverse design optimization: the optimum low-boom configuration is designed for the weight at the start of cruise of the same configuration for the low-boom overland mission. Moreover, it also seeks the optimum trades among the maximum takeoff gross weight (MTOGW), cruise Mach, and range for the low-boom overland mission while meeting the requirement of flying a transatlantic overwater mission. A block coordinate optimization (BCO) method is developed to find an approximate solution of the mixed-fidelity low-boom MDO problem. The BCO method is successfully applied to generate two CFD-based low-boom configurations that closely match two reversed equivalent area targets with ground noise levels below 70 PLdB, respectively. Moreover, these CFD-based low-boom configurations can be obtained with minor wing modifications from the solutions of the low-fidelity MDO problem. The low-fidelity MDO solutions are Pareto points for constrained multiobjective optimization of MTOGW, low-boom cruise Mach, and low-boom range. The best low-boom concept has a predetermined fuselage shape tailored for passengers and main gear storage, carries 40 passengers at seat pitch of 48 in, flies a low-boom overland mission with cruise Mach of 1.8 and range of 2,950 nm, cruises overwater at Mach 1.8 with range of 3,600 nm, satisfies the specified constraints for landing/cruise/takeoff, has MTOGW of 145,164 lb, trims the low-boom cruise flight with fuel redistributions instead of control surface deflections, and has a reversed equivalent area distribution closely matching a target with ground noise level below 70 PLdB.

multidisciplinary optimization↗

Orbit design and optimization based on global telecommunication performance metrics

The orbit selection of telecommunications orbiters is one of the critical design processes and should be guided by global telecom performance metrics and mission-specific constraints. In order to aid the orbit selection, we have coupled the Telecom Orbit Analysis and Simulation Tool (TOAST) with genetic optimization algorithms. As a demonstration, we have applied the developed tool to select an optimal orbit for general Mars telecommunications orbiters with the constraint of being a frozen orbit. While a typical optimization goal is to minimize tele-communications down time, several relevant performance metrics are examined: 1) area-weighted average gap time, 2) global maximum of local maximum gap time, 3) global maximum of local minimum gap time. Optimal solutions are found with each of the metrics. Common and different features among the optimal solutions as well as the advantage and disadvantage of each metric are presented. The optimal solutions are compared with several candidate orbits that were considered during the development of Mars Telecommunications Orbiter.

genetic algorithms↗

Maximum likelihood techniques in QELS

A framework for the analysis of Quasi Elastic Light Scattering (QELS) experiments designed to be used in microgravity environment is derived. Example calculations of the type to be used to design the QELS system are given. The framework for the analysis is based on the concepts of parameter estimation typified by Maximum Likelihood Estimation methods. These methods not only serve as the template for parameter estimation algorithms, but can also be used for optimal design of the experiments. Optimal design of experiments is facilitated by the fact that these methods not only give procedures for parameter estimation, but also estimates of the errors associated with the parameter estimation.

Edwards, Robert V.↗

Accelerating computational fluid dynamics simulation of post-combustion carbon capture modeling with MeshGraphNets

Packed columns are commonly used in post-combustion processes to capture CO 2 emissions by providing enhanced contact area between a CO 2 -laden gas and CO 2 -absorbing solvent. To study and optimize solvent-based post-combustion carbon capture systems (CCSs), computational fluid dynamics (CFD) can be used to model the liquid–gas countercurrent flow hydrodynamics in these columns and derive key determinants of CO 2 -capture efficiency. However, the large design space of these systems hinders the application of CFD for design optimization due to its high computational cost. In contrast, data-driven modeling approaches can produce fast surrogates to study large-scale physics problems. We build our surrogates using MeshGraphNets (MGN), a graph neural network framework that efficiently learns and produces mesh-based simulations. We apply MGN to a random packed column modeled with over 160K graph nodes and a design space consisting of three key input parameters: solvent surface tension, inlet velocity, and contact angle. Our models can adapt to a wide range of these parameters and accurately predict the complex interactions within the system at rates over 1700 times faster than CFD, affirming its practicality in downstream design optimization tasks. This underscores the robustness and versatility of MGN in modeling complex fluid dynamics for large-scale CCS analyses.

97 MATHEMATICS AND COMPUTING↗

Physics-based modeling and information-theoretic sensor and settings selection for tool wear detection in precision machining

Precision machining of metals is an energy intensive process with applications and impacts across the manufacturing industry. The energy efficiency, product yield, and maintenance of the precision machine require a digital twin that can assist with prognostics and health management. In this report a physics-based model is developed and validated against face milling data, and then used for the timely and precise inference of machining faults that cannot be measured directly. Computer numerical control (CNC) measurements of power and force are used through this physics-based machining model to predict deviations of the outputs of power consumption and cutting forces during normal operation. A model-based fault detection and isolation methodology is applied to determine the optimal (traditional and available) sensor suite and the test settings (admissible input values) that improve the inference of tool wear in face milling. The optimal sensor suite and input test settings are obtained by solving a mixed integer non-linear program that optimizes information-theoretic metrics relevant to the detection and isolation of tool wear from steady-state or transient machining measurements. Dynamic time warping and k—NN classification are then used to validate the robustness of the optimal design for fault detection test design, including the optimal sensor suite.

42 ENGINEERING↗

Atomic-Scale Imaging of Lithium Vacancies in a Battery Cathode by Multislice Electron Ptychography

Atomic-resolution imaging of battery materials is critical for identification of local defects and structural variations, which are tied to battery performance. However, since battery materials are, by design, optimized to allow ion motion in response to an applied electric field, they are also very sensitive to radiation damage by an electron beam. Image resolution is therefore severely constrained by the dose applied. Here, we show that multislice electron ptychography (MEP) can provide sub-ångström lateral resolution images of both light and heavy elements of a Li-ion battery cathode, along with nanometer-scale depth information and greater dose efficiency than conventional electron microscopy methods. Using the depth-sectioning capability of MEP, we have been able to obtain direct visualizations of Li vacancy clusters, atom column by atom column, in Li x Ni 0.33 Mn 0.33 Co 0.33 O 2 (NMC111) cathodes. This capability to track Li distributions will be valuable in understanding, informing, and optimizing electrode material design for ion storage and transfer.

batteries↗

Simulation of Air-Cooled Organic Rankine Cycle Geothermal Power Plant Performance

This document describes simulations that were developed at the Idaho National Laboratory for the determination of plant design specifications and performance characteristic at both design and off-design ambient and resource conditions. The plant design simulation yields optimized design point operating conditions, equipment specifications, and net power output. When these equipment and design point specifications are imported to the plant rating simulation, the performance of the plant can be simulated for the specified ambient and resource conditions. Results from the plant rating simulations may be used to evaluate net power generation during a specified time period having defined ambient and resource conditions.

15 GEOTHERMAL ENERGY↗

Advanced beaded and tubular structural panels

A program to develop lightweight beaded and tubular structural panels is described. Applications include external surfaces, where aerodynamically acceptable, and primary structure protected by heat shields. The design configurations were optimized and selected with a computer code which iterates geometric parameters to satisfy strength, stability, and weight constraints. Methods of fabricating these configurations are discussed. Nondestructive testing produced extensive combined compression, shear, and bending test data on local buckling specimens and large panels. The optimized design concepts offer 25 to 30% weight savings compared to conventional stiffened sheet construction.

Musgrove, M. D.↗

Solar cell array design handbook, volume 1

Twelve chapters discuss the following: historical developments, the environment and its effects, solar cells, solar cell filters and covers, solar cell and other electrical interconnections, blocking and shunt diodes, substrates and deployment mechanisms, material properties, design synthesis and optimization, design analysis, procurement, production and cost aspects, evaluation and test, orbital performance, and illustrative design examples. A comprehensive index permits rapid locating of desired topics. The handbook consists of two volumes: Volume 1 is of an expository nature while Volume 2 contains detailed design data in an appendix-like fashion. Volume 2 includes solar cell performance data, applicable unit conversion factors and physical constants, and mechanical, electrical, thermal optical, magnetic, and outgassing material properties. Extensive references are provided.

Rauschenbach, H. S.↗

Air-Gapped Structures as Magnetic Elements for Use in Power Processing Systems

Methodical approaches to the design of inductors for use in LC filters and dc-to-dc converters using air gapped magnetic structures are presented. Methods for the analysis and design of full wave rectifier LC filter circuits operating with the inductor current in both the continuous conduction and the discontinuous conduction modes are also described. In the continuous conduction mode, linear circuit analysis techniques are employed, while in the case of the discontinuous mode, the method of analysis requires computer solutions of the piecewise linear differential equations which describe the filter in the time domain. Procedures for designing filter inductors using air gapped cores are presented. The first procedure requires digital computation to yield a design which is optimized in the sense of minimum core volume and minimum number of turns. The second procedure does not yield an optimized design as defined above, but the design can be obtained by hand calculations or with a small calculator. The third procedure is based on the use of specially prepared magnetic core data and provides an easy way to quickly reach a workable design.

Ohri, A. K.↗

Optimizing for minimum weight when two different finite element models and analyses are required

The Finite Element Structural Optimization Program's (FESOP) ability to perform minimum weight optimization using two different finite element analyses and models is discussed. FESOP uses the ADS optimizer developed by Dr. Garret Vanderplaats to solve the nonlinear constrained optimization problem. The design optimization problem requires a response spectrum analysis and model to evaluate the stress and displacement constraints. However, the problem needs a frequency analysis and model to calculate the natural frequencies used to evaluate the frequency range constraints. The results of both the successful and unsuccessful approaches used to solve this difficult weight minimization problem are summarized. The results show that no one ADS optimization algorithm worked in all cases. However, the Sequential Convex Programming and Modified Method of Feasible Directions algorithms were the most successful.

Hall, Jeffrey C.↗

Aerodynamic design of the Cal Poly Da Vinci Human-Powered Helicopter

This paper will discuss the methodology used in designing the rotor and drive propellers for the third generation Cal Poly Da Vinci Human-Powered Helicopter. The rotor was designed using a lifting surface, uniform inflow hover analysis code and the propeller was designed using a minimum induced-loss method. Construction, geometry, and operating considerations are discussed as they impact the designs. Optimization of the design performance is also explained. The propellers were tested in a wind tunnel and results are compared with theoretical data. Successful flight tests of the Da Vinci III are discussed.

Larwood, Scott↗