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At least 1,027 records · Page 57

Linearized form of implicit TVD schemes for the multidimensional Euler and Navier-Stokes equations

Linearized alternating direction implicit (ADI) forms of a class of total variation diminishing (TVD) schemes for the Euler and Navier-Stokes equations have been developed. These schemes are based on the second-order-accurate TVD schemes for hyperbolic conservation laws developed by Harten (1983, 1984). They have the property of not generating spurious oscillations across shocks and contact discontinuities. In general, shocks can be captured within 1-2 grid points. These schemes are relatively simple to understand and easy to implement into a new or existing computer code. One can modify a standard three-point central-difference code by simply changing the conventional numerical dissipation term into the one designed for the TVD scheme. For steady-state applications, the only difference in computation is that the current schemes require a more elaborate dissipation term for the explicit operator; no extra computation is required for the implicit operator. Numerical experiments with the proposed algorithms on a variety of steady-state airfoil problems illustrate the versatility of the schemes.

Yee, H. C.↗

Assessment of diffuse-interface methods for compressible multiphase fluid flows and elastic-plastic deformation in solids

This work describes three diffuse-interface methods for the simulation of immiscible, compressible multiphase fluid flows and elastic-plastic deformation in solids. The first method is the localized-artificial-diffusivity approach of Cook, Subramaniam et al., and Adler and Lele, in which artificial diffusion terms are added to the individual phase mass fraction transport equations and are coupled with the other conservation equations. The second method is the gradient-form approach that is based on the quasi-conservative method of Shukla et al., in which the diffusion and sharpening terms (together called regularization terms) are added to the individual phase volume fraction transport equations and are coupled with the other conservation equations. The third approach is the divergence-form approach that is based on the fully conservative method of Jain et al., in which the regularization terms are added to the individual phase volume fraction transport equations and are coupled with the other conservation equations. In the present study, all three diffuse-interface methods are used in conjunction with a four-equation, multicomponent mixture model, in which pressure and temperature equilibria are assumed among the various phases. The primary objective of this work is to compare these three methods in terms of their ability to: maintain constant interface thickness throughout the simulation; conserve mass, momentum, and energy; and maintain accurate interface shape for long-time integration. The second objective of this work is to consistently extend these methods to model interfaces between solid materials with strength. To assess and compare the methods, they are used to simulate a wide variety of problems, including (1) advection of an air bubble in water, (2) shock interaction with a helium bubble in air, (3) shock interaction and the collapse of an air bubble in water, and (4) Richtmyer–Meshkov instability of a copper–aluminum interface. The current work focuses on comparing these methods in the limit of relatively coarse grid resolution, which illustrates the true performance of these methods. In conclusion, this is because it is rarely practical to use hundreds of grid points to resolve a single bubble or drop in large-scale simulations of engineering interest.

97 MATHEMATICS AND COMPUTING↗

A limitation of the generation of magnetic fields

Simple arguments are put forward to show that the currents produced in disks by radiative or other types of drag forces on electrons must give rise to extraordinarily small magnetic fields. The field strengths are consistent with earlier (more complex) treatments of this class of problem, but inconsistent with the claims of recent papers in the literature. The discrepancies involve the treatment of self-induction. Ion-electron inductive coupling limits the generated magnetic field to have an associated ion Larmor radius greater than or of order of the radius of the disk, a result which follows most directly from conservation of canonical ion momentum, p + eA/c. An explicit time-dependent model for the buildup of the field leads to the same conclusion. If internal velocity gradient scales are smaller than the ion Larmor radius, and the plasma is not collision dominated, standard dynamo amplification within the disk is hardly likely to be effective. But to explain the Galactic field, dynamo amplification in a collisional plasma is also likely to be problematic. The difficulties posed by the existence of ordered Galactic-scale magnetic fields are made all the more acute by the simplicity and the scope of the discussed field limitation.

Balbus, Steven A.↗

Analytical Ion Thruster Discharge Performance Model

A particle and energy balance model of the plasma discharge in magnetic ring-cusp ion thrusters has been developed. The model follows the original work of Brophy in the development of global 0-D discharge models that utilize conservation of particles into and out of the thruster and conservation of energy into the discharge and out of the plasma in the form of charged particles to the walls and beam and plasma radiation. The present model is significantly expanded over Brophy's original work by including self-consistent calculations of the internal neutral pressure, electron temperature, primary electron density, electrostatic ion confinement (due to the ring-cusp fields), plasma potential, discharge stability, and time dependent behavior during recycling. The model only requires information on the thruster geometry, ion optics performance and electrical inputs such as discharge voltage and currents, etc. to produce accurate performance curves of discharge loss versus mass utilization efficiency. The model has been benchmarked against the NEXIS Laboratory Model (LM) and Development Model (DM) thrusters, and successfully predicts the thruster discharge loss as a function of mass utilization efficiency for a variety of thrusters. The discharge performance model will be presented and results showing ion thruster performance and stability given.

discharge chambers↗

Allosteric inhibition of HTRA1 activity by a conformational lock mechanism to treat age-related macular degeneration

The trimeric serine protease HTRA1 is a genetic risk factor associated with geographic atrophy (GA), a currently untreatable form of age-related macular degeneration. Here, we describe the allosteric inhibition mechanism of HTRA1 by a clinical Fab fragment, currently being evaluated for GA treatment. Using cryo-EM, X-ray crystallography and biochemical assays we identify the exposed LoopA of HTRA1 as the sole Fab epitope, which is approximately 30 Å away from the active site. The cryo-EM structure of the HTRA1:Fab complex in combination with molecular dynamics simulations revealed that Fab binding to LoopA locks HTRA1 in a non-competent conformational state, incapable of supporting catalysis. Moreover, grafting the HTRA1-LoopA epitope onto HTRA2 and HTRA3 transferred the allosteric inhibition mechanism. This suggests a conserved conformational lock mechanism across the HTRA family and a critical role of LoopA for catalysis, which was supported by the reduced activity of HTRA1-3 upon LoopA deletion or perturbation. This study reveals the long-range inhibition mechanism of the clinical Fab and identifies an essential function of the exposed LoopA for activity of HTRA family proteases.

59 BASIC BIOLOGICAL SCIENCES↗

Flavor constraints in a generational three-Higgs-doublet model

We propose a three-Higgs-doublet model (3HDM) that goes beyond natural flavor conservation and in which each of the three Higgs doublets couples mainly to a single generation of fermions via nonstandard Yukawa structures. A hierarchy in the vacuum expectation values of the three Higgs doublets can partially address the Standard Model flavor puzzle. In light of the experimentally observed 125 GeV Higgs boson, we primarily work within a 3HDM alignment limit such that a Standard Model-like Higgs is recovered. In order to reproduce the observed Cabibbo–Kobayashi–Maskawa mixing among quarks, the neutral Higgs bosons of the theory necessarily mediate flavor changing neutral currents at the tree level. We consider constraints from neutral kaon, B meson, and D meson mixing as well as from the rare leptonic decays B s / B 0 / K L → μ + μ − / e + e − . We identify regions of parameter space in which the new physics Higgs bosons can be as light as a TeV or even lighter. Published by the American Physical Society 2025

Altmannshofer, Wolfgang (ORCID:0000000316212561)↗

Modeling household online shopping demand in the U.S.: a machine learning approach and comparative investigation between 2009 and 2017

Despite the rapid growth of online shopping and research interest in the relationship between online and in-store shopping, national-level modeling and investigation of the demand for online shopping with a prediction focus remain limited in the literature. Here, this paper differs from prior work and leverages two recent releases of the U.S. National Household Travel Survey (NHTS) data for 2009 and 2017 to develop machine learning (ML) models, specifically gradient boosting machine (GBM), for predicting household-level online shopping purchases. The NHTS data allow for not only conducting nationwide investigation but also at the level of households, which is more appropriate than at the individual level given the connected consumption and shopping needs of members in a household. We follow a systematic procedure for model development including employing Recursive Feature Elimination algorithm to select input variables (features) in order to reduce the risk of model overfitting and increase model explainability. Among several ML models, GBM is found to yield the best prediction accuracy. Extensive post-modeling investigation is conducted in a comparative manner between 2009 and 2017, including quantifying the importance of each input variable in predicting online shopping demand, and characterizing value-dependent relationships between demand and the input variables. In doing so, two latest advances in machine learning techniques, namely Shapley value-based feature importance and Accumulated Local Effects plots, are adopted to overcome inherent drawbacks of the popular techniques in current ML modeling. The modeling and investigation are performed at the national level, with a number of findings obtained. The models developed and insights gained can be used for online shopping-related freight demand generation and may also be considered for evaluating the potential impact of relevant policies on online shopping demand.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Maximizing Scrap Recycling by Designing Cu Tolerant Steel Compositions

Residual elements from scrap steel recycling, most notably copper, are known to result in hot shortness during thermomechanical processing and casting. As the concentration of copper and other residuals in steel scrap streams increases, Electric Arc Furnace (EAF) scrap recycling heats commonly use pig iron to dilute residuals below current limits. This work focuses on establishing residual element tolerant compositions and concomitant processing windows that can simultaneously mitigate issues from residuals during thermomechanical processing and, if possible, use these residuals to improve properties, yielding a more sustainable steel manufacturing pathway with a substantially smaller carbon footprint.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

High-Efficiency Mixing Controlled Compression Ignition Combustion of Propane DME Blends

The program is a multi-institutional effort led by the University of Wisconsin-Madison Engine Research Center, partnered with WM International and the University of Central Florida, aiming to revolutionize combustion technology for medium-duty commercial vehicles. The project’s primary objective is to develop a high-efficiency mixing controlled compression ignition (MCCI) combustion strategy utilizing propane and propane/DME blends. This development is crucial because current propane-fueled spark-ignited (SI) engines operate at substantially lower efficiencies (BTE of 31.5%) than comparable modern diesel engines (37.1%).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

The MELISSA pilot plant facility as as integration test-bed for advanced life support systems

The different advances in the Micro Ecological Life Support System Alternative project (MELISSA), fostered and coordinated by the European Space Agency, as well as in other associated technologies, are integrated and demonstrated in the MELISSA Pilot Plant laboratory. During the first period of operation, the definition of the different compartments at an individual basis has been achieved, and the complete facility is being re-designed to face a new period of integration of all these compartments. The final objective is to demonstrate the potentiality of biological systems such as MELISSA as life support systems. The facility will also serve as a test bed to study the robustness and stability of the continuous operation of a complex biological system. This includes testing of the associated instrumentation and control for a safe operation, characterization of the chemical and microbial safety of the system, as well as tracking the genetic stability of the microbial strains used. The new period is envisaged as a contribution to the further development of more complete biological life support systems for long-term manned missions, that should be better defined from the knowledge to be gained from this integration phase. This contribution summarizes the current status of the Pilot Plant and the planned steps for the new period. c2004 COSPAR. Published by Elsevier Ltd. All rights reserved.

Waste Management/instrumentation/methods↗

Extension of a semi-implicit shock-capturing algorithm for 3-D fully coupled, chemically reacting flows in generalized coordinates

A semiimplicit high-resolution shock-capturing method for multidimensional systems of hyperbolic conservation laws with stiff source terms has been developed by Yee and Shinn (1987). The goal of this work is to extend this method to solve the three-dimensional fully coupled Navier-Stokes equations for a hypersonic chemically reacting flow in generalized coordinates. In this formulation, the global continuity equation was replaced by all the species continuity equations. The shock-capturing technique is a second-order-accurate, symmetric total-variation-diminishing method which accounts fully and directly for the coupling among the fluid and all the species. To verify the current approach, it was implemented into an existing computer code which contained the MacCormack method. Test results for a five-species reacting flow are shown to be oscillation-free around the shock, and the time spent per iteration only doubles when compared to the result using classical way of supplying numerical dissipation. The extra computation is more than justified by the elimination of spurious oscillation and nonlinear instability associated with the classical shock-capturing schemes in computing hypersonic reacting flows.

Shinn, J. L.↗

On Formulations of Discontinuous Galerkin and Related Methods for Conservation Laws

A formulation for the discontinuous Galerkin (DG) method that leads to solutions using the differential form of the equation (as opposed to the standard integral form) is presented. The formulation includes (a) a derivative calculation that involves only data within each cell with no data interaction among cells, and (b) for each cell, corrections to this derivative that deal with the jumps in fluxes at the cell boundaries and allow data across cells to interact. The derivative with no interaction is obtained by a projection, but for nodal-type methods, evaluating this derivative by interpolation at the nodal points is more economical. The corrections are derived using the approximate (Dirac) delta functions. The formulation results in a family of schemes: different approximate delta functions give rise to different methods. It is shown that the current formulation is essentially equivalent to the flux reconstruction (FR) formulation. Due to the use of approximate delta functions, an energy stability proof simpler than that of Vincent, Castonguay, and Jameson (2011) for a family of schemes is derived. Accuracy and stability of resulting schemes are discussed via Fourier analyses. Similar to FR, the current formulation provides a unifying framework for high-order methods by recovering the DG, spectral difference (SD), and spectral volume (SV) schemes. It also yields stable, accurate, and economical methods.

Huynh, H. T.↗

Site-wide occupancy assessment using camera traps for seven mammalian species at Los Alamos National Laboratory

Los Alamos National Laboratory (LANL or Laboratory) is committed to solving national security challenges through scientific excellence and has been serving the nation and northern New Mexico for over 70 years. Being located on the Pajarito Plateau in the eastern flanks of the Jemez Mountains, the Laboratory is surrounded by a rich diversity of plants and animals. It is common to see many different species of wildlife on Laboratory property; however, sometimes interactions with wildlife can be negative. Vehicle accidents with wildlife have become a common occurrence. With the current and ongoing expansion of the Laboratory on the Pajarito Plateau, it has the potential to further impact wildlife movement including large game species. Local agencies and tribal Pueblos rely on large game species and do not want these species to be restricted from moving across property boundaries. Temporal and spatial aspects of where wildlife occur on the site is a phenomena that is either not well understood in uncommon species or needs periodic reevaluation for common species. Estimating the distribution of multiple species across the landscape provides wildlife biologists with crucial information for monitoring and conserving animal populations in a particular area. Utilizing motion activated wildlife cameras, also known as camera traps, to monitor wildlife populations has become an essential tool for biologists. Camera traps are non-invasive and cost-effective and can document multiple elusive or uncommon wildlife species, such as carnivores, simultaneously. Occupancy modeling provides a flexible framework for the analysis of the distribution for multiple wildlife species. It explicitly recognizes whether a species is spatially common or rare (occupancy = ψ) and if that species is easy or hard to detect (detection probability = p ). Multispecies and multi-season occupancy models can detect trends in species occupancy because individual species may vary in seasonal movements, detection probability, and transition rates between habitats. In this study, we assessed the site as a whole to ascertain when and where medium and large mammal species are present. Understanding wildlife patterns at the Laboratory will better inform future management decisions regarding land use and development strategies. We placed motion activated wildlife cameras in a random systematic sampling design and used these data to create occupancy models. We tested for differences in single-species occupancy and detection probability by season of mammal species captured on 20 camera traps placed across the Laboratory in a 40 mi² (103 km²) area. We focus the interpretation of our findings on seven mammal species found during this study. They are Rocky Mountain elk ( Cervus canadensis nelsoni ; hereafter “elk”), mule deer ( Odocoileus hemionus ; hereafter “deer”), mountain lion ( Puma concolor ; hereafter “lion”), American black bear ( Ursus americanus ; hereafter “bear”), coyote ( Canis latrans ), bobcat ( Lynx rufus ), and gray fox ( Urocyon cinereoargenteus ; hereafter “fox”).

59 BASIC BIOLOGICAL SCIENCES↗

Physics Informed Neural Networks as Computational Physics Emulators

This report is a brief overview and evaluation of Physics Informed Neural Networks (PINNs). Karniadakis and co-workers, e.g., Karniadakis et al. (2021) assert that the PINNs approach integrates seamlessly both data and mathematical physics models, even in partially understood, uncertain and high-dimensional contexts. They further claim that PINNs are effective and efficient for ill-posed and inverse problems, and when combined with domain decomposition, are scalable to large problems and a tool to discover hidden physics. While they demonstrate the capabilities in specific academic instances, their overarching claims about PINNs seem to be an overstatement, at least at the current time. We have briefly considered a few of the limitations of PINNs in this investigation. It is not clear to us if the PINNs approach can ever be competitive with approaches that use specialized algorithms to achieve high-accuracy solutions of governing equations and other techniques that can combine observational data with such solutions. As an example of the latter, consistent with the principles of Bayesian inference, data assimilation, or more generally data-model fusion, is a process that fuses observational data typically with a computational model that respects certain constraints such as conservation laws. For example, improvements in observational network combined with data assimilation have been key in improving weather predictions over the past four decades Kalnay (2003).

97 MATHEMATICS AND COMPUTING↗

Building Energy Codes and Grid-Interactive Efficient Buildings: How building energy codes can enable a more dynamic and energy-efficient built environment

This report considers the role of national model codes to promote grid-interactive efficient buildings (GEBs) as part of the modernization of the U.S. electricity grid. It introduces GEBs, describes their ability to support a clean, resilient grid, and considers challenges and approaches for incorporating GEB measures into national model energy codes and standards. Desirable traits of GEB include being low energy, low peaking, and responsive to grid needs, and minimizing the curtailment of renewable energy resources. In addition, the future grid incurs a time and locational value on these types of building services. Accounting for these considerations in future code development requires a continuation and expansion of code-minimum energy efficiency requirements and inclusion of demand responsive and load flexibility measures while ensuring annual use and cost reductions. Also, efforts to include GEB measures in codes will be limited until they are fully developed into an American National Standards Institute (ANSI)-approved standard. Then it would be straightforward to address GEB measures through points or packages and/or scoring requirements. Otherwise, the building code would have to describe each specific grid responsive strategy. This document reviews topics pertinent to considering codes in this context. Specifically, the study presents the status and direction of current building energy codes, the future smart grid, low-energy buildings, and grid-integrated buildings. The report concludes with recommendations for future code development activities to support low-energy, grid-interactive buildings in order to provide added value to building owners, the grid, and society.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Decarbonizing Solvent Chemistry Through Microwave Processing [Abstract]

National Energy Technology Laboratory and Covestro LLC. will collaborate on a project titled, “Decarbonizing Solvent Chemistry Through Microwave Processing”, which was selected for funding by DOE’s Office of Energy Efficiency and Renewable Energy (EERE) Industrial Efficiency and Decarbonization Office (IEDO) FOA DE-EE0002997. The project aims to develop a microwave-based approach for low-heat aqueous-based industry-relevant reactions currently conducted using a conventional fossil-energy fueled hydrothermal reactor. The team has combined expertise in the areas of polymer production, microwave assisted reactions and scale-up, and life cycle analysis to perform the tasks proposed.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

A CFD Approach to Modeling Spacecraft Fuel Slosh

Energy dissipation and resonant coupling from sloshing fuel in spacecraft fuel tanks is a problem that occurs in the design of many spacecraft. In the case of a spin stabilized spacecraft, this energy dissipation can cause a growth in the spacecrafts' nutation (wobble) that may lead to disastrous consequences for the mission. Even in non-spinning spacecraft, coupling between the spacecraft or upper stage flight control system and an unanticipated slosh resonance can result in catastrophe. By using a Computational Fluid Dynamics (CFD) solver such as Fluent, a model for this fuel slosh can be created. The accuracy of the model must be tested by comparing its results to an experimental test case. Such a model will allow for the variation of many different parameters such as fluid viscosity and gravitational field, yielding a deeper understanding of spacecraft slosh dynamics. In order to gain a better understanding of the dynamics behind sloshing fluids, the Launch Services Program (LSP) at the NASA Kennedy Space Center (KSC) is interested in finding ways to better model this behavior. Thanks to past research, a state-of-the-art fuel slosh research facility was designed and fabricated at Embry Riddle Aeronautical University (ERAU). This test facility has produced interesting results and a fairly reliable parameter estimation process to predict the necessary values that accurately characterize a mechanical pendulum analog model. The current study at ERAU uses a different approach to model the free surface sloshing of liquid in a spherical tank using Computational Fluid Dynamics (CFD) methods. Using a software package called Fluent, a model was created to simulate the sloshing motion of the propellant. This finite volume program uses a technique called the Volume of Fluid (VOF) method to model the interaction between two fluids [4]. For the case of free surface slosh, the two fluids are the propellant and air. As the fuel sloshes around in the tank, it naturally displaces the air. Using the conservation of mass, momentum, and energy equations, as well as the VOF equations, one can predict the behavior of the sloshing fluid and calculate the forces, pressure gradients, and velocity field for the entire liquid as a function of time.

Marsell, Brandon↗

Generating high-resolution total canopy SIF emission from TROPOMI data: Algorithm and application

Solar-induced chlorophyll fluorescence (SIF) is a rapidly advancing front in modeling global terrestrial gross primary production (GPP). Canopy total SIF emissions (SIF total ) are mechanistically linked to the plant photosynthesis, and can be estimated from satellite observed SIF (SIF obs ) through radiative transfer modeling. However, the current satellite SIF obs and thus SIF total are available only at coarse spatial resolutions from several kilometers to tens of kilometers, inhibiting the application at fine spatial scales. Here, in this work, we proposed an algorithm to generate both global high-resolution SIF total (HSIF total ) and high-resolution SIF obs (HSIF obs ) at 1 km from low-resolution SIF obs (LSIF obs ) from the TROPOspheric Monitoring Instrument (TROPOMI), which has a spatial resolution at nadir of 3.5 km by 5.6–7 km. Our statistical method is based on the law of energy conservation and uses satellite derived fraction of absorbed photosynthetically active radiation, fluorescence efficiency, and the escape probability of fluorescence. We evaluated the accuracy of our HSIF total using the Orbiting Carbon Observatory-2 SIF (R 2 = 0.78). We found that the spatial resolution had clear effects on the relationship between HSIF total and GPP. We also compared HSIF total to 8-day averaged tower GPP from 135 flux sites and found that they were better correlated when HSIF total was averaged over a 1-km radius around the tower than when averaged over a larger radius. Our study provided a unique high-resolution HSIF total product, which will advance the estimation of GPP by extrapolating site-level relationships to the global scale.

54 ENVIRONMENTAL SCIENCES↗