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At least 145 records · Page 8

Is a Generator the Only Solution When the Grid Fails? Optimizing Systems for Resiliency and Carbon Reduction: Preprint

Traditionally, buildings are dependent on utility infrastructure, and when a grid failure happens, end users rely on the closest source of energy storage to sustain operation until power is restored. For buildings, that typically means using an electric generator. This electric generator either uses on-site energy storage such as fossil fuels in a tank or a gas connection which is, in turn, tied to gas wells—also a form of energy storage. Generators are popular for their ease of implementation and low capital costs; however, they have limited value outside of disruptions, and they are a source of scope 1 emissions, or direct greenhouse gas emissions from sources controlled by the building owner. In contrast, some power generation and storage systems, such as photovoltaic (PV) panels and battery energy storage systems (BESS), can serve the same purpose during grid disruptions while presenting advantages outside of power failure. This paper explores methods for storing and converting energy on-site to increase building resiliency, focusing on solutions that minimize scope 1 emissions. We analyze the cost and carbon impacts of energy efficiency measures, PV arrays, and BESS, with and without generators, in a simulation test case. We find significant benefits can be achieved both during and outside of power failure events when designing systems that integrate the on-demand capability of generators, the low carbon energy supplied by PV, and the storage capabilities of BESS. Specifically, adding even minimal BESS and PV can result in downsizing the generator, increasing generator efficiency and requiring less fuel.

ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATION

Generative Electrolyte Solvent and Formulation Discovery

Molecular mixtures and/or formulations are of great importance in fields ranging from materials science to pharmaceuticals to chemistry. In batteries, electrolytes are complex molecular mixtures consisting of multiple salts and solvents and additives at different concentrations that dictate battery capacity, safety, and cycle life, among others. Unfortunately, due to the complex composition and infinite design space as well as the conflicting property requirements, electrolyte design is the rate-determining step in the design of next generation battery chemistries. In this work, we develop a transformer-based generative AI model − ElectrolyteGPT − capable of generating solvents and electrolyte formulations to satisfy a wide range of desired property requirements. First, we curate an electrolyte-relevant database and develop a new line notation for formulations. Then, we show that ElectrolyteGPT can generate solvents and formulations conditioned on a wide range of important electrolyte properties such as ionic conductivity, oxidative stability, Coulombic efficiency, viscosity, and more. Finally, we experimentally synthesize the generated solvents and fabricate the electrolyte formulations and show that they can meet the desired property requirements and enable longterm cycling in energy-dense anode-free lithium metal batteries. Our work showcases the ability of generative models to address challenges in molecular mixture design for next generation batteries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

Enhancing generative molecular design via uncertainty-guided fine-tuning of variational autoencoders

In recent years, deep generative models have been successfully applied to various molecular design tasks, particularly in the life and materials sciences. One critical challenge for pre-trained generative molecular design (GMD) models is to fine-tune them to be better suited for downstream design tasks that aim at optimizing specific molecular properties. However, redesigning and training an existing effective generative model from scratch for each new design task are impractical. Furthermore, the black-box nature of typical downstream tasks that involve property prediction makes it nontrivial to optimize the generative model in a task-specific manner. In this work, we propose an uncertainty-guided fine-tuning strategy that can effectively enhance a pre-trained variational autoencoder (VAE) for GMD through performance feedback in an active learning setting. The strategy begins by quantifying the model uncertainty of the generative model using an efficient active subspace-based UQ (uncertainty quantification) scheme. Next, the decoder diversity within the characterized model uncertainty class is explored to expand the viable space of molecular generation. The low-dimensionality of the active subspace makes this exploration tractable using a black-box optimization scheme, which in turn enables us to identify and leverage a diverse set of high-performing models to generate enhanced molecules. Empirical results across six target molecular properties using multiple VAE-based generative models demonstrate that our uncertainty-guided fine-tuning strategy consistently leads to improved models that outperform the original pre-trained models.

97 MATHEMATICS AND COMPUTING

Crystal structure prediction with host-guided inpainting generation and foundation potentials

Unconditional crystal structure generation with diffusion models faces challenges in identifying symmetric crystals as the unit cell size increases. Here, we present the crystal host-guided generation (CHGGen) framework to address this challenge through conditional generation using an inpainting method, which optimizes a fraction of atomic positions within a predefined and symmetrized host structure to improve the success rate for symmetric structure generation. By integrating inpainting structure generation with a foundation potential for structure optimization, we demonstrate the method on the ZnS–P 2 S 5 and Li–Si chemical systems, where the inpainting method generates a higher fraction of symmetric structures than unconditional generation. The practical significance of CHGGen extends to enabling the structural modification of crystal structures, particularly for systems with partial occupancy or intercalation chemistry. The inpainting method also allows for seamless integration with other generative models, providing a versatile framework for accelerating materials discovery.

Zhong, Peichen [University of California, Berkeley

Dynamic Retrieval Augmented Generation of Ontologies using Artificial Intelligence (DRAGON-AI)

Ontologies are fundamental components of informatics infrastructure in domains such as biomedical, environmental, and food sciences, representing consensus knowledge in an accurate and computable form. However, their construction and maintenance demand substantial resources and necessitate substantial collaboration between domain experts, curators, and ontology experts. We present Dynamic Retrieval Augmented Generation of Ontologies using AI (DRAGON-AI), an ontology generation method employing Large Language Models (LLMs) and Retrieval Augmented Generation (RAG). DRAGON-AI can generate textual and logical ontology components, drawing from existing knowledge in multiple ontologies and unstructured text sources.We assessed performance of DRAGON-AI on de novo term construction across ten diverse ontologies, making use of extensive manual evaluation of results. Our method has high precision for relationship generation, but has slightly lower precision than from logic-based reasoning. Our method is also able to generate definitions deemed acceptable by expert evaluators, but these scored worse than human-authored definitions. Notably, evaluators with the highest level of confidence in a domain were better able to discern flaws in AI-generated definitions. We also demonstrated the ability of DRAGON-AI to incorporate natural language instructions in the form of GitHub issues.These findings suggest DRAGON-AI's potential to substantially aid the manual ontology construction process. However, our results also underscore the importance of having expert curators and ontology editors drive the ontology generation process.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION

Air-coupled tsunamis generated from impacts and airbursts: Our understanding before Hunga-Tonga Hunga-Ha'apai

The effort to prevent or mitigate the effects of an impact on Earth is known as planetary defense. A significant component of planetary defense research involves risk assessment. Much of our understanding of the risk from near-Earth objects comes from the geologic record in the form of impact craters, but not all asteroid impacts are crater-forming events. Small asteroids explode before reaching the surface, generating an airburst, and most impacts into the ocean do not penetrate the water to form a crater in the sea floor. The risk from these non-crater-forming ocean impacts and airbursts is difficult to quantify and represents a significant uncertainty in our assessment of the overall threat. We are currently working to better understand impact scenarios that can generate dangerous tsunamis. One of the suggested mechanisms for the production of asteroid–generated tsunamis is by direct coupling of the pressure wave to the water, analogous to the means by which a moving weather front can generate a meteotsunami. To test this hypothesis, we ran a series of airburst simulations and provided time-resolved pressure and wind profiles to use as source functions for tsunami models. We used the CTH hydrocode to model the various airburst scenarios to compare to the results of other simulations and provide time dependent boundary conditions as input to shallow-water wave propagation codes. The strongest and most destructive meteotsunamis are generated by atmospheric pressure oscillations with amplitudes of only a few hPa1 (mbar), corresponding to changes in sea level of a few cm. The resulting wave is strongest when there is a resonance between the ocean and the atmospheric forcing. A Proudman resonance takes place when the atmospheric disturbance’s translational speed (U) equals the longwave phase speed $\sqrt{gh}$ of shallow water wave. Coupling is strongest when the Froude number (Fr=U/c) is unity. A weather front propagates much slower than the speed of sound, so meteotsunamis are most common and dangerous in shallow bodies of water such as the Mediterranean Sea or Lake Michigan. By contrast, the blast wave from an airburst or crater-forming impact propagates at a speed faster than a tsunami in the deepest ocean, and a Proudman resonance cannot be achieved even though the overpressures are orders of magnitude greater. However, blast wave profiles are N-waves in which a sharp shock wave leading to overpressure is followed by a more gradual rarefaction to a much longer-duration underpressure phase. Even though the blast outruns the water wave it is forcing, the tsunami should continue to be driven by the out-of-resonance gradient associated with the suction phase, which may depend strongly on the details of the airburst or impact scenario. The open question is whether there are any conditions under which such an airburst-driven tsunami can be dangerous enough to contribute to the overall impact risk. We have also identified other potential mechanisms for airburst-generated tsunamis: 1) reaction force at the surface from the plume ejected into space, which carries significant momentum, 2) expanding toroidal vortices at the surface, which travel more slowly than the shock wave and can generate a Proudman resonance in relatively shallow ocean (such as continental shelf), and 3) steam explosion from seawater ablation by a “Type II” (Libyan Desert Glass-type) airburst in which the hot vapor jet descends to the surface. On January 15, 2022, the Hunga-Tonga Hunga-Ha’apai volcano, located approximately 60 km north of Tongatapu, the main island of Tonga, violently erupted with a powerful explosion, culminating the period of volcanic activity that started in December of 2021. This event and resulting tsunamis provided an existence proof for the air pressure wave coupling mechanism we proposed. It also suggests that it can be stronger and more significant over much greater distances than we contemplated, leading to global tsunamis associated with impact events on land as well as in the water. Large atmospheric explosions generate global Lamb waves with larger amplitudes, longer periods, and slower speeds than the local and regional blast waves we modeled prior to that event. This paper reviews our analysis and modeling of airburst-driven tsunamis prior to the 2022 Hunga-Tonga Hunga-Ha’apai tsunami, which was the subject of two presentations at the 2023 Planetary Defense Conference and is the subject of another paper currently in preparation.

54 ENVIRONMENTAL SCIENCES

ELM 1016706669-AA B581 GDE01 Generator Summary pg 4-5 only

The table below shows the general load breakdown for 581GDE01. Although the total connected load exceeds the generator’s 150kW nameplate capacity, the normal configured load during standby power mode is less, which was measured at 81kW, or 54%, during preventive maintenance activities on 12/12/24. The generator’s available spare capacity must account for dynamically changing loads that can increase the total power demand at any time. If the two online VFD’s are operated at full speed the actual standby mode load is estimated to increase by 38kW, which would bring the total configured load during standby power mode to 119kW, or 79%, still within 581GDE01’s acceptable capacity. Per the LLNL Site 200 Generator Consolidation Final Study 2022, “Standby Emergency Generator nameplate ratings are based upon operation with varying load averaging 70% of the nameplate for 200 hours per year. Continuous loading between 70% and 100% will reduce a generator’s expected lifetime before a major overhaul. This is never a problem with Laboratory machines because of conservative application of generators and the reliability of the normal power system combines to keeps the load and hours down”. To achieve optimal performance and prolong generator life, the recommended generator loading is between 40% and 70%, optimally at 70%, which 581GDE01 appropriately falls within.

42 ENGINEERING

An investigation of the uniform random number generator

Most random number generators that are in use today are of the congruential form X(i+1) + AX(i) + C mod M where A, C, and M are nonnegative integers. If C=O, the generator is called the multiplicative type and those for which C/O are called mixed congruential generators. It is easy to see that congruential generators will repeat a sequence of numbers after a maximum of M values have been generated. The number of numbers that a procedure generates before restarting the sequence is called the length or the period of the generator. Generally, it is desirable to make the period as long as possible. A detailed discussion of congruential generators is given. Also, several promising procedures that differ from the multiplicative and mixed procedure are discussed.

Temple, E. C.

Effects of voltage control in utility interactive dispersed storage and generation systems

When a small generator is connected to the distribution system, the voltage at the point of interconnection is determined largely by the system and not the generator. The effect on the generator, on the load voltage and on the distribution system of a number of different voltage control strategies in the generator is examined. Synchronous generators with three kinds of exciter control are considered, as well as induction generators and dc/ac inverters, with and without capacitor compensation. The effect of varying input power during operation (which may be experienced by generators based on renewable resources) is explored, as well as the effect of connecting and disconnecting the generator at ten percent of its rated power. Operation with a constant slightly lagging factor is shown to have some advantages.

Kirkham, H.

Interactive solution-adaptive grid generation

TURBO-AD is an interactive solution-adaptive grid generation program under development. The program combines an interactive algebraic grid generation technique and a solution-adaptive grid generation technique into a single interactive solution-adaptive grid generation package. The control point form uses a sparse collection of control points to algebraically generate a field grid. This technique provides local grid control capability and is well suited to interactive work due to its speed and efficiency. A mapping from the physical domain to a parametric domain was used to improve difficulties that had been encountered near outwardly concave boundaries in the control point technique. Therefore, all grid modifications are performed on a unit square in the parametric domain, and the new adapted grid in the parametric domain is then mapped back to the physical domain. The grid adaptation is achieved by first adapting the control points to a numerical solution in the parametric domain using control sources obtained from flow properties. Then a new modified grid is generated from the adapted control net. This solution-adaptive grid generation process is efficient because the number of control points is much less than the number of grid points and the generation of a new grid from the adapted control net is an efficient algebraic process. TURBO-AD provides the user with both local and global grid controls.

Choo, Yung K.

An experimental investigation of S-duct flow control using arrays of low-profile vortex generators

An experimental investigation was undertaken to measure the effect of various configurations of low-profile vortex generator arrays on the flow in a diffusing S-duct. Three parameters that characterize the vortex generator array were systematically varied to determine their effect: (1) the vortex generator height, (2) the streamwise location of the vortex generator array, and (3) the vortex generator spacing. Each array of vortex generators tested improved total pressure recovery. The configuration employing the largest vortex generators was the most effective in reducing total pressure distortion but did not produce the greatest total pressure recovery. No configuration of vortex generators completely eliminated the flow separation that naturally occurs in the S-duct; however the extent of the separated flow region was reduced.

Reichert, B. A.

Next generation initiation techniques

Four-dimensional data assimilation strategies can generally be classified as either current or next generation, depending upon whether they are used operationally or not. Current-generation data-assimilation techniques are those that are presently used routinely in operational-forecasting or research applications. They can be classified into the following categories: intermittent assimilation, Newtonian relaxation, and physical initialization. It should be noted that these techniques are the subject of continued research, and their improvement will parallel the development of next generation techniques described by the other speakers. Next generation assimilation techniques are those that are under development but are not yet used operationally. Most of these procedures are derived from control theory or variational methods and primarily represent continuous assimilation approaches, in which the data and model dynamics are 'fitted' to each other in an optimal way. Another 'next generation' category is the initialization of convective-scale models. Intermittent assimilation systems use an objective analysis to combine all observations within a time window that is centered on the analysis time. Continuous first-generation assimilation systems are usually based on the Newtonian-relaxation or 'nudging' techniques. Physical initialization procedures generally involve the use of standard or nonstandard data to force some physical process in the model during an assimilation period. Under the topic of next-generation assimilation techniques, variational approaches are currently being actively developed. Variational approaches seek to minimize a cost or penalty function which measures a model's fit to observations, background fields and other imposed constraints. Alternatively, the Kalman filter technique, which is also under investigation as a data assimilation procedure for numerical weather prediction, can yield acceptable initial conditions for mesoscale models. The third kind of next-generation technique involves strategies to initialize convective scale (non-hydrostatic) models.

Warner, Tom

Experimental investigations of on-demand vortex generators

Conventional vortex generators as found on many civil aircrafts are mainly for off-design conditions - e.g. suppression of separation or loss of aileron power when the Mach number accidentally rises above the design (cruise) value. In normal conditions they perform no useful function and exert a significant drag penalty. Recently there have been advances in new designs for passive vortex generators and boundary layer control. While traditionally the generators heights were of the order of the boundary layer thickness (delta), recent advances have been made where generators of the order of delta/4 have been shown to be effective. The advancement of MIcro-Electro-Mechanical (MEM) devices has prompted several efforts in exploring the possibility of using such devices in turbulence control. These new devices offer the possibility of boundary layer manipulation through the production of vortices, momentum jets, or other features in the flow. However, the energy output of each device is low in general, but they can be used in large numbers. Therefore, the possibility of moving from passive vortex generators to active (on-demand) devices becomes of interest. Replacement of fixed rectangular or delta-wing generators by devices that could be activated when needed would produce substantial economies. Our proposed application is not strictly 'active' control: the vortex generators would simply be switched on, all together, when needed (e.g. when the aircraft Mach number exceeded a certain limit). To this extent our scheme is simpler; however, to promote mixing and suppress separation we desire to deposit longitudinal vortices into the outer layer of the boundary layer as in conventional vortex generators. This requires a larger device although an alternative might be an array of smaller devices, for example, a longitudinal row with phase differences in the modulation signals so that the periodic vortices join up. The vortex pair with common flow up has the advantage that it will naturally drift away from the surface, but the disadvantage is that the net vorticity is zero so that the pair is eventually obliterated by turbulent mixing, rather than simply being diffused as in the case of a single vortex. It should be possible to devise alternative shapes of cavity wall so that the jet emerges obliquely and produces net longitudinal vorticity.

Saddoughi, Seyed G.

Elliptic surface grid generation on minimal and parmetrized surfaces

An elliptic grid generation method is presented which generates excellent boundary conforming grids in domains in 2D physical space. The method is based on the composition of an algebraic and elliptic transformation. The composite mapping obeys the familiar Poisson grid generation system with control functions specified by the algebraic transformation. New expressions are given for the control functions. Grid orthogonality at the boundary is achieved by modification of the algebraic transformation. It is shown that grid generation on a minimal surface in 3D physical space is in fact equivalent to grid generation in a domain in 2D physical space. A second elliptic grid generation method is presented which generates excellent boundary conforming grids on smooth surfaces. It is assumed that the surfaces are parametrized and that the grid only depends on the shape of the surface and is independent of the parametrization. Concerning surface modeling, it is shown that bicubic Hermite interpolation is an excellent method to generate a smooth surface which is passing through a given discrete set of control points. In contrast to bicubic spline interpolation, there is extra freedom to model the tangent and twist vectors such that spurious oscillations are prevented.

Spekreijse, S. P.

Preliminary results of the on-demand vortex-generator experiments

This is a report on the continuation of our experimental investigations (Saddoughi 1994) of 'on-demand' vortex generators. Conventional vortex generators as found on aircraft wings are mainly for suppression of separation during the off-design conditions. In cruise they perform no useful function and exert a significant drag penalty. Therefore, replacement of fixed rectangular or delta-wing generators by devices that could be activated when needed would be of interest. Also in our previous report, we described one example of an 'on-demand' device, which was developed by Jacobson & Reynolds (1995) at Stanford University, suitable for manufacture by micro-electro-mechanical technology. This device consists of a surface cavity elongated in the stream direction and covered with a lid cantilevered at the upstream end. The lid, which is a metal sheet with a sheet of piezoelectric ceramic bonded to it, lies flush with the boundary. On application of a voltage the ceramic expands or contracts; however, adequate amplitude can be obtained only by running at the cantilever resonance frequency and applying amplitude modulation: for 2.5 mm x 20 mm cantilevered lids, they obtained maximum tip displacements of the order of 100 pm. Thus fluid is expelled from the cavity through the gap around the lid on the downstroke. They used an asymmetrical gap configuration and found that periodic emerging jets on the narrow side induced periodic longitudinal vorticity into the boundary layer. Their device was used to modify the inner layer of the boundary layer for skin-friction reduction. The same method could be implemented for the replacement of the conventional vortex generators; however, to promote mixing and suppress separation we needed to deposit longitudinal vortices into the outer layer of the boundary layer, which required a larger vortex generator than the device built by Jacobson & Reynolds. Our vortex generator was built with a mechanically-driven cantilevered lid with an adjustable frequency. The device was made about ten times the size of Jacobson & Reynolds', the shape or size of the cavity and lid (28 mm x 250 mm) could be easily changed. The cavity depth, the cantilever-tip displacement, and the maximum lid frequency were 20 mm, 10 mm, and 60 Hz respectively. Our vortex generator was mounted on a turntable so that its yaw angle could be changed. Finally, tests over a range of ratios of vortex generator size to boundary-layer thickness could be carried out simply by changing the streamwise location of the device.

Saddoughi, Seyed G.

Elliptic surface grid generation on minimal and parametrized surfaces

An elliptic grid generation method, which generates boundary conforming grids in a two dimensional physical space, is presented. The method is based on the composition of an algebraic and elliptic transformation. The composite mapping obeys the Poisson grid generation system with control functions specified by the algebraic transformation. It is shown that the grid generation on a minimal surface in a three dimensional space is equivalent to the grid generation in a two dimensional domain in physical space. A second elliptic grid generation method, which generates boundary conforming grids on smooth surfaces, is presented. Concerning surface modeling, it is shown that bicubic Hermit interpolation is an excellent method to generate a smooth surface crossing a discrete set of control points.

Spekreijse, S. P.

Development and Testing of Automatically Generated ACS Flight Software for the MAP Spacecraft

By integrating the attitude determination and control system (ACS) analysis and design, flight software development, and flight software testing processes, it is possible to improve the overall spacecraft development cycle, as well as allow for more thorough software testing. One of the ways to achieve this integration is to use code-generation tools to automatically generate components of the ACS flight software directly from a high-fidelity (HiFi) simulation. In the development of the Microwave Anisotropy Probe (MAP) spacecraft, currently underway at the NASA Goddard Space Flight Center, approximately 1/3 of the ACS flight software was automatically generated. In this paper, we will examine each phase of the ACS subsystem and flight software design life cycle: analysis, design, and testing. In the analysis phase, we scoped how much software we would automatically generate and created the initial interface. The design phase included parallel development of the HiFi simulation and the hand-coded flight software components. Everything came together in the test phase, in which the flight software was tested, using results from the HiFi simulation as one of the bases of comparison for testing. Because parts of the spacecraft HiFi simulation were converted into flight software, more care needed to be put into its development and configuration control to support both the HiFi simulation and flight software. The components of the HiFi simulation from which code was generated needed to be designed based on the fact that they would become flight software. This process involved such considerations as protecting against mathematical exceptions, using acceptable module and parameter naming conventions, and using an input/output interface compatible with the rest of the flight software. Maintaining good configuration control was an issue for the HiFi simulation and the flight software, and a way to track the two systems was devised. Finally, an integrated test approach was devised to support flight software testing at both the unit- and build-test levels using the HiFi simulation to generate data for performance verification. Another benefit of the simulation and code-generation application used on the MAP project is that it supported bringing flight software and test data into the HiFi simulation environment. It was possible to integrate parts of the hand-coded flight software into the HiFi simulation, and also possible to import flight software test data for comparison and performance verification. This capability was used to incorporate the flight software Kalman filter into the HiFi simulation. This enabled us to greatly increase the amount of testing that could be done on the filter, because we could exert a greater degree of control over the software-only simulation than over the flight software test environment. Also, since the simulation could be used to run the Kalman filter faster than real time, our testing efficiency was greatly increased. We will conclude our discussion with a summary of the lessons learned thus far using automatically- generated code for the MAP project, and the spacecraft status as we work towards our scheduled launch in the year 2000.

ODonnell, James R., Jr.

Source Term Model for Vortex Generator Vanes in a Navier-Stokes Computer Code

A source term model for an array of vortex generators was implemented into a non-proprietary Navier-Stokes computer code, OVERFLOW. The source term models the side force created by a vortex generator vane. The model is obtained by introducing a side force to the momentum and energy equations that can adjust its strength automatically based on the local flow. The model was tested and calibrated by comparing data from numerical simulations and experiments of a single low profile vortex generator vane on a flat plate. In addition, the model was compared to experimental data of an S-duct with 22 co-rotating, low profile vortex generators. The source term model allowed a grid reduction of about seventy percent when compared with the numerical simulations performed on a fully gridded vortex generator on a flat plate without adversely affecting the development and capture of the vortex created. The source term model was able to predict the shape and size of the stream-wise vorticity and velocity contours very well when compared with both numerical simulations and experimental data. The peak vorticity and its location were also predicted very well when compared to numerical simulations and experimental data. The circulation predicted by the source term model matches the prediction of the numerical simulation. The source term model predicted the engine fan face distortion and total pressure recovery of the S-duct with 22 co-rotating vortex generators very well. The source term model allows a researcher to quickly investigate different locations of individual or a row of vortex generators. The researcher is able to conduct a preliminary investigation with minimal grid generation and computational time.

Waithe, Kenrick A.