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At least 1,351 records · Page 75

Establishing and Maintaining the Digital Thread of Additively Manufactured Materials and Applications

Additive Manufacturing (AM) and Integrated Computational Materials Engineering (ICME) are complementary enabling technologies for design and manufacturing of “fit-for-purpose” materials. Both technologies will impact rapid material design, reduction in cost- and time-to-market for new applications, and discovery and implementation of new materials. An ICME approach to design, however, requires experimentally validated material models at multiple length and time scales, an integrated framework that can connect analysis tools with one another to ensure the digital thread of an application is maintained, and the manufacturing (e.g., AM) capability to leverage processing-structure-property-performance (PSPP) relationships to achieve spatially varying material properties where desired. AM enables the implementation of the design of an optimized, spatially varying microstructure through careful selection of the processing parameters used during an additively manufactured build. In order to establish these PSPP relations, a large amount of data is necessary, and that data must be properly captured, analyzed and maintained in an information management system that can establish the required traceability between various aspects of the design process to ensure an application’s digital thread is maintained (from design to end of life). Such an information management system must be able to capture feedstock material pedigree, resulting microstructure from various build parameters, subsequent mechanical properties derived from testing, developed material models, and enable spatial variations in material assignment in an engineering application. Furthermore, the information management system should be easily integrated with traditionally engineered materials in a single, centralized platform to enable an ICME optimization tool to explore both types of manufacturing processes. At NASA GRC, a robust, 21st century materials information management system has been previously developed with a focus towards enabling ICME. In this work, GRC’s ICME schema is extended to accommodate additively manufactured materials, enabling storage of both traditionally and additively manufactured materials in the same construct. The methodology for properly capturing additively manufactured materials across the entire material lifecycle is presented, following the previously established database best practices, as a potential framework for establishing PSPP relationships for additively manufactured materials and applying them to engineering applications.

Data management↗

An Innovative High Throughput Genome Releaser for Rapid and Efficient PCR Screening

High-throughput PCR screening is vital in synthetic biology and metabolic engineering as it allows researchers to rapidly analyze and detect numerous targeted genetic mutation in the genome. Current challenges for high-throughput PCR screening in synthetic biology include efficiently preparing genomic DNA, optimizing protocols for diverse sample types, managing contamination risks, and effectively analyzing the large volumes of data generated while ensuring consistent and accurate results. In this study, we present the development of a High Throughput Genome Releaser (HTGR), an innovative device addressing common challenges in screening PCR. This genome DNA releaser is designed based on a squash method for rapid, cost-effective, and efficient DNA release, optimized for subsequent PCR reactions. After experimenting with various synthetic materials, we selected a plastic that closely replicates the smooth surface and compression properties of microscope slides, ensuring reliable performance. We engineered a device featuring a 96-Well Plate and a shear applicator, operable both manually and automatically, and compatible with standard liquid-handling robot platform. This compatibility enhances ease of use in high-throughput PCR workflows. Additionally, we developed software to support its automatic functions. Our results demonstrated that the specially engineered 96-Well Plate and HTGR can effectively squash fungal spores , which release enough genome DNA for PCR screening. The genome releaser facilitates the preparation of PCR-amplifiable genomic DNA substrate from 96 samples within minutes, eliminates the need for extraction buffers, and is adaptable to a wide range of microorganisms and cells, which could significantly advance biomanufacturing processes.

Yuan, Guoliang [BATTELLE (PACIFIC NW LAB)]↗

Computational fluid dynamics modeling and analysis of silica nanoparticle synthesis in a flame spray pyrolysis reactor

Flame Spray Pyrolysis (FSP) is a method for large-scale production of nanoparticles and nanoscale powders employed in a wide range of industrial applications. Particle size and morphology are complex functions of the physicochemical phenomena occurring in the FSP reactor. An extensive study of FSP-related phenomena can be utilized to develop effective strategies for achieving desired particle size/morphology and scaling up the overall yield of an FSP system. In this work, a computational fluid dynamics (CFD) model of an FSP reactor is developed to simulate the coupling of key phenomena involved in the particle synthesis process: liquid spray breakup and evaporation, mixing, combustion, and particle formation/growth of silica nanoparticles. Herein, the particle sizes and their distributions from the CFD simulations are validated against experimental data. Subsequently, the simulations are utilized to investigate the impact of process parameters on the resultant flame dynamics and particle growth. Firstly, the CFD results show that the particle sizes are strongly correlated with the precursor concentration in the solvent. At lower precursor concentrations, the spread of the distribution is relatively insensitive to the value of the concentration. At higher concentrations, the spread is higher as the collision probability between particles is higher. Secondly, increasing the pilot flow rate increases the length of the pilot flames impacting the local ignition location of the spray flame. Lastly, it is shown that the dispersion gas flow rate strongly influences the spray flame shape. This shape can be used for control of particle growth as it helps determine the regions of high temperature and the residence time of the particles in the high temperature region enabling the design and process optimization of the FSP reactor.

42 ENGINEERING↗

Stress-sensitivity of fracture conductivity of Tuscaloosa Marine Shale cores

Production decline from wells producing from shale rocks is typically quite rapid. One possible factor responsible for such decline is loss in fracture conductivity. This is true in the case of the Tuscaloosa Marine shale reservoir. In this work, the stress-dependent fracture conductivity of TMS core samples is investigated using five propped cores under varying stress conditions. In addition, the effects of static rock mechanical properties and rock mineralogy on conductivity decline are investigated. The mineralogy of each core sample was determined by X-ray Diffraction analysis. Fracture conductivity was measured using a Hassler-type pressure core holder with a pressure rating of 15,000 psi (103.42 MPa). Estimated rock mechanical properties showed that shale anisotropy could affect fracture conductivity. The time decline in conductivity revealed two possible decline trends, a) decline from the reduction in induced fracture width, and b) decline from the healing of developed micro-cracks. An exponential decline in fracture conductivity with increasing confinement pressure was observed with an average decline rate constant of 3.15 x 10 -10 mPa -1 . While rock mineralogy did not have any clear relationship with conductivity decline, the effects of rock mechanical properties were only important at 10.34 MPa confinement pressure and above. The observation showed that a high Young's modulus correlate to high conductivity, whereas a high Poisson's ratio correlate to low conductivity. This study provides useful observations for optimizing fracture design to enhance well productivity in the TMS.

02 PETROLEUM↗

Microwave Heating-Induced Temperature Gradients in Liquid–Liquid Biphasic Systems

Microwaves (MWs) can enable the electrification and intensification of chemical manufacturing. They have been applied to various unit separations, such as drying, distillation, and extraction, entailing gas–liquid and solid–liquid systems. However, a limited quantitative understanding of MW-heated liquid–liquid biphasic systems related to extraction exists. This work measures the temporal and spatial temperature difference between an aqueous and an organic phase in batch and continuous microfluidic modes. We demonstrate permanent temperature differences between phases over 35 °C and spatiotemporal periodic and quasiperiodic oscillations modulated by the flow patterns. The temperature differences are primarily driven by the faster absorption rate of MW irradiation by the aqueous phase versus the slower heat transfer from the aqueous phase to the organic phase. These are amplified by low specific interfacial area and modifications of the electromagnetic field. We employ a multiphysics model to predict the temperature difference in a batch system. The model is in good agreement with the experiments. We demonstrate a strong effect of input power, dielectric properties of organic solvents, the volume of solvents, and the volume ratio between phases on the temperature difference. A simple analytical model describes the temperature difference and provides design principles. Furthermore, the combined approach offers new insights into the design and optimization of the MW-heated biphasic systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Materials and methods used in the ice making process

A detailed survey of ice mold and evaporator metal surfaces, physical structures, operational conditions, materials of construction, design of different equipment was reviewed and analyzed. The key objective was to identify different ice related processes’ materials, structures, and operating conditions for designing, optimizing, and applying advance materials to lower ice adhesion strength.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

A New Approach to Predict Hydrogeological Parameters Using Shear Waves from the Multichannel Analysis of Surface Waves Method

For near-surface contaminant characterization, the accurate prediction of hydrogeological parameters in anisotropic and heterogeneous environments has been a challenge since the last decades. However, recent advances in near-surface geophysics have facilitated the use of geophysical data for hydrogeological characterization in the last few years. A pseudo 3-D high resolution P-wave shallow seismic reflection survey was performed at the P Reactor Area, Savannah River Site, South Carolina in order to delineate and predict migration pathways of a large contaminant plume including trichloroethylene. This contaminant plume originates from the northwest section of the reactor facility that is located within the Upper Atlantic Coastal Plain. The data were collected with 40 Hz geophones, an accelerated weight-drop as seismic source and 1 m receiver spacing with near- and far-offsets of 0.5 and 119.5 m, respectively. In such areas with near-surface contaminants, a detailed subsurface characterization of the vadose zone hydraulic parameters is very important. Indeed, an inexpensive method of deriving such parameters by the use of seismic reflection surveys is beneficial, and our approach uses the relationship between seismic velocity and hydrogeological parameters together with empirical observations relating porosity to permeability and hydraulic conductivity. Shear wave velocity ( V s ) profiles were estimated from surface wave dispersion analysis of the seismic reflection data and were subsequently used to derive hydraulic parameters such as porosity, permeability, and hydraulic conductivity. Additional geophysical data including core samples, vertical seismic profiling, surface electrical resistivity tomography, natural gamma and electrical resistivity logs allowed for a robust assessment of the validity and geological significance of the estimated V s and hydrogeological models. The results demonstrate the usefulness of this approach for the upper 15 m of shallow unconsolidated sediments even though the survey design parameters were not optimal for surface wave analysis due to the higher than desired frequency geophones.

Engineering↗

Enhancement of disposal efficiency for deep geological repositories based on three design factors - Decay heat optimization, increased thermal limit of the buffer and double-layer concept

This study investigates the enhancement of disposal efficiency for deep geological repositories (DGRs) based on three design factors: decay heat optimization, increased thermal limit of the buffer, and double-layer concept using coupled thermo-hydro-mechanical (THM) numerical simulations. Decay heat optimization is achieved by iteratively emplacing spent nuclear fuels having the maximum and minimum decay heat in a canister. Disposal areas can be reduced by 20 % to 40 % compared to the current reference disposal system in Korea (KRS+) in accordance with the combinations of the three design factors, alleviating challenges in site selection for the DGR. This study additionally identifies an optimal layer spacing of 500 m for the double-layer concept in the viewpoint of the buffer temperature, where thermal interaction between the upper and lower layers nearly disappears. However, determining the ultimate disposal and layer spacing requires engineering judgement, considering not only the thermal performance of the DGR but also various factors such as cost and difficulties of the construction and rock mass stability. DGRs designed with an increased thermal limit of the buffer poses a greater probability of rock mass failure around disposal tunnels and deposition holes due to elevated thermal stresses. Densely arranged heat sources for the DGRs with enhanced disposal efficiency lead to larger temperature increase even at the far-field scale, raising a possibility of thermally driven fracture shear activation with associated hydraulic, mechanical, and seismic changes.

58 GEOSCIENCES↗

Rapid Flux Phenotyping to Accelerate Metabolic Engineering of Cyanobacteria

This project established a rapid flux phenotyping platform to accelerate metabolic engineering of cyanobacterial hosts. As proof of principle, we applied this platform to optimize cyanobacterial production of isobutyraldehyde and ethylene in Synechococcus PCC 7942, as well as lysine and fatty acids in the fast-growing strain S ynechococcus PCC 7002. By matching the throughput of strain characterization to the rate of strain generation, this research provided the foundation for a rational “design-build-test-learn” cycle for metabolic engineering of cyanobacteria and other bioenergy-relevant microbes.

60 APPLIED LIFE SCIENCES↗

Enhanced Engine Performance During Emergency Operation Using a Model-Based Engine Control Architecture

This paper discusses the design and application of model-based engine control (MBEC) for use during emergency operation of the aircraft. The MBEC methodology is applied to the Commercial Modular Aero-Propulsion System Simulation 40,000 (CMAPSS40,000) and features an optimal tuner Kalman Filter (OTKF) to estimate unmeasured engine parameters, which can then be used for control. During an emergency scenario, normally-conservative engine operating limits may be relaxed to increase the performance of the engine and overall survivability of the aircraft; this comes at the cost of additional risk of an engine failure. The MBEC architecture offers the advantage of estimating key engine parameters that are not directly measureable. Estimating the unknown parameters allows for tighter control over these parameters, and on the level of risk the engine will operate at. This will allow the engine to achieve better performance than possible when operating to more conservative limits on a related, measurable parameter.

control theory↗

Simulation Propulsion System and Trajectory Optimization

A number of new aircraft concepts have recently been proposed which tightly couple the propulsion system design and operation with the overall vehicle design and performance characteristics. These concepts include propulsion technology such as boundary layer ingestion, hybrid electric propulsion systems, distributed propulsion systems and variable cycle engines. Initial studies examining these concepts have typically used a traditional decoupled approach to aircraft design where the aerodynamics and propulsion designs are done a-priori and tabular data is used to provide inexpensive look ups to the trajectory ana-ysis. However the cost of generating the tabular data begins to grow exponentially when newer aircraft concepts require consideration of additional operational parameters such as multiple throttle settings, angle-of-attack effects on the propulsion system, or propulsion throttle setting effects on aerodynamics. This paper proposes a new modeling approach that eliminated the need to generate tabular data, instead allowing an expensive propulsion or aerodynamic analysis to be directly integrated into the trajectory analysis model and the entire design problem optimized in a fully coupled manner. The new method is demonstrated by implementing a canonical optimal control problem, the F-4 minimum time-to-climb trajectory optimization using three relatively new analysis tools: Open M-DAO, PyCycle and Pointer. Pycycle and Pointer both provide analytic derivatives and Open MDAO enables the two tools to be combined into a coupled model that can be run in an efficient parallel manner that helps to cost the increased cost of the more expensive propulsion analysis. Results generated with this model serve as a validation of the tightly coupled design method and guide future studies to examine aircraft concepts with more complex operational dependencies for the aerodynamic and propulsion models.

Optimization↗

Active and machine learning-based approaches to rapidly enhance microbial chemical production

In order to make renewable fuels and chemicals from microbes, new methods are required to engineer microbes more intelligently. Computational approaches, to engineer strains for enhanced chemical production typically rely on detailed mechanistic models (e.g., kinetic/stoichiometric models of metabolism)—requiring many experimental datasets for their parameterization—while experimental methods may require screening large mutant libraries to explore the design space for the few mutants with desired behaviors. To address these limitations, we developed an active and machine learning approach (ActiveOpt) to intelligently guide experiments to arrive at an optimal phenotype with minimal measured datasets. In this study, ActiveOpt was applied to two separate case studies to evaluate its potential to increase valine yields and neurosporene productivity in Escherichia coli. In both the cases, ActiveOpt identified the best performing strain in fewer experiments than the case studies used. This work demonstrates that machine and active learning approaches have the potential to greatly facilitate metabolic engineering efforts to rapidly achieve its objectives.

60 APPLIED LIFE SCIENCES↗

Alternatives for Jet Engine Control

Approaches are developed as alternatives to current design methods which rely heavily on linear quadratic and Riccati equation methods. The main alternatives are discussed in two broad categories, local multivariable frequency domain methods and global nonlinear optimal methods.

Leake, R. J.↗

Propulsion-Airframe Integration for Conceptual Redesign of a Low-Boom Supersonic Transport

A low-boom supersonic transport was designed for a cruise Mach of 1.7 and 40 passengers. This low-boom aircraft, referred to as the Mach 1.7 40-PAX concept, was generated using computational fluid dynamics (CFD) based sonic boom analysis at the start of overland cruise (SOC). The engine for the Mach 1.7 40-PAX concept was designed using the Numerical Propulsion System Simulation (NPSS) and modeled as a flow-through nacelle for CFD analysis. To understand how the engine plume affects the undertrack ground signature, the Mach 1.7 40-PAX concept is redesigned using an aeropropulsive CFD simulation. A process is developed for approximation of the NPSS engine at SOC by a CFD engine for aeropropulsive CFD simulation. The generated CFD engine has the identical nozzle boundary conditions and approximately the same mass flow and thrust as those of the NPSS engine at SOC. Then, the configuration with the CFD engines is optimized to approximately restore the low-boom characteristics of the Mach 1.7 40-PAX concept. Finally, the CFD simulation data for the optimized concept with the CFD engines is used to calibrate the low-fidelity aerodynamic analyses for mission analysis of this concept. The cyclic dependency of the involved disciplinary analyses is resolved using an iteration method for a consistent coupling of the mission analysis, NPSS engine analysis, and low-boom redesign using the aeropropulsive CFD simulation. This low-boom redesign study is used as an example to demonstrate how the propulsion-airframe integration could be implemented for conceptual design of low-boom supersonic transports.

Low-boom supersonic transport↗

Constrained Bayesian Optimization of Criticality Experiments [Slides]

The design of criticality experiments is typically an iterative process that employs a Monte Carlo transport code. The goal is to find a design that optimizes some variable, like the sensitivity of a response to a cross section, while simultaneously ensuring criticality. The high fidelity of the Monte Carlo code is a great asset, but it makes exploring the design space computationally expensive. Herein, we present how a constrained Bayesian optimization algorithm can be used to efficiently design a criticality experiment. It uses Gaussian processes as a surrogate model to probe the design space and to reduce the number of code executions that are needed to find the optimum. We demonstrate constrained Bayesian optimization with a Pu-239/polyethylene solution system and a TEX experiment that is designed for criticality safety validation of a nuclear waste model at the Hanford Site. For both systems, a global optimum was found within 75 Monte Carlo simulations.

42 ENGINEERING↗

Discovering mechanisms for materials microstructure optimization via reinforcement learning of a generative model

Abstract The design of materials structure for optimizing functional properties and potentially, the discovery of novel behaviors is a keystone problem in materials science. In many cases microstructural models underpinning materials functionality are available and well understood. However, optimization of average properties via microstructural engineering often leads to combinatorically intractable problems. Here, we explore the use of the reinforcement learning (RL) for microstructure optimization targeting the discovery of the physical mechanisms behind enhanced functionalities. We illustrate that RL can provide insights into the mechanisms driving properties of interest in a 2D discrete Landau ferroelectrics simulator. Intriguingly, we find that non-trivial phenomena emerge if the rewards are assigned to favor physically impossible tasks, which we illustrate through rewarding RL agents to rotate polarization vectors to energetically unfavorable positions. We further find that strategies to induce polarization curl can be non-intuitive, based on analysis of learned agent policies. This study suggests that RL is a promising machine learning method for material design optimization tasks, and for better understanding the dynamics of microstructural simulations.

36 MATERIALS SCIENCE↗

Optimization of NTP System Truss to Reduce Radiation Shield Mass

The benefits of nuclear thermal propulsion are numerous and relevant to the current NASA mission goals involving but not limited to the crewed missions to mars and the moon. They do however also present new and unique challenges to the design and logistics of launching/operating spacecraft. One of these challenges, relevant to this discussion, is the significant mass of the shielding which is required to ensure an acceptable radiation environment for the spacecraft and crew. Efforts to reduce shielding mass are difficult to accomplish from material and geometric design points of the shield itself, however by increasing the distance between the nuclear engines and the main body of the spacecraft the required mass of the shielding is lessened considerably. The mass can be reduced significantly per unit length, though any additional mass added by the structure to create this distance serves to offset those savings, thus the design of a lightweight structure is ideal. The challenges of designing the truss are bounded by several limiting factors including; the loading conditions, the capabilities of the launch vehicle, and achieving the ideal truss length when factoring for the overall mass reduced. Determining the overall set of mass values for a truss of varying length is difficult since to maintain an optimally designed truss the geometry of the truss or its members must change. Thus the relation between truss mass and length for these loading scenarios is not linear, and instead has relation determined by the truss design. In order to establish a mass versus length trend for various truss designs to compare with the mass saved from the shield versus length, optimization software was used to find optimal geometric properties that still met the design requirements at established lengths. By solving for optimal designs at various lengths, mass trends could be determined. The initial design findings show a clear benefit to extending the engines as far from the main structure of the spacecraft as the launch vehicle's payload volume would allow when comparing mass savings verse the additional structure.

Scharber, Luke L.↗

Multidimensional Numerical Modeling of Combustion Dynamics in a Non-Premixed Rotating Detonation Engine With Adaptive Mesh Refinement

In the present work, a novel computational fluid dynamics (CFD) methodology was developed to simulate full-scale non-premixed rotating detonation engines (RDEs). A unique feature of the modeling approach was the incorporation of adaptive mesh refinement (AMR) to achieve a good trade-off between model accuracy and computational expense. Here, unsteady Reynolds-averaged Navier–Stokes (RANS) simulations were performed for an Air Force Research Laboratory (AFRL) non-premixed RDE configuration with hydrogen as fuel and air as the oxidizer. The finite-rate chemistry model, along with a ten-species detailed kinetic mechanism, was employed to describe the H 2 -Air combustion chemistry. Three distinct operating conditions were simulated, corresponding to the same global equivalence ratio of unity but different fuel/air mass flowrates. For all conditions, the capability of the model to capture essential detonation wave dynamics was assessed. An exhaustive verification and validation study was performed against experimental data in terms of a number of waves, wave frequency, wave height, reactant fill height, oblique shock angle, axial pressure distribution in the channel, and fuel/air plenum pressure. The CFD model was demonstrated to accurately predict the sensitivity of these wave characteristics to the operating conditions, both qualitatively and quantitatively. A comprehensive heat release analysis was also conducted to quantify detonative versus deflagrative burning for the three simulated cases. The present CFD model offers a potential capability to perform rapid design space exploration and/or performance optimization studies for realistic full-scale RDE configurations.

42 ENGINEERING↗