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At least 253 records · Page 14

Dynamic Species Reduction for Multi-Cycle CFD Simulations (Final Technical Report)

This project primarily sought to address some of the computational cost concerns of detailed simulations by developing improved methods of handling species transport, and chemical kinetics evaluation in a commercial 3D Computational Fluid Dynamics (CFD) environment. Secondary goals were to apply these techniques to fuels and conditions of interest to better understand the key species and reactions required to adequately capture cycle to cycle coupling. Improved modeling will lead to better understanding of these combustion modes and their dependence on fuel composition, which can then enable more clean and efficient engines, ultimately benefiting the consumer as well as the general public. Two approaches were used to address the computational cost. A “Dynamic Species Reduction” (DSR) procedure was developed to remove chemical species from the simulation during periods when chemical reactions were not expected to be important, particularly during gas exchange when temperatures are low and little fuel remains. This modelling procedure automatically detects relevant species to retain in the simulation domain based on their local concentration, removes species below a specified concentration threshold, and then adjusts the remaining species mass to conserve not only the number of H, C, and O atoms in each cell, but also the relative proportions between species and the heating value of the mixture in every cell. The second procedure was a “Product Directed Remapping” (PDR) updates the algorithm used to group individual computational cells for chemical kinetics evaluation to account for non-uniform temperature distributions and the CO to CO 2 ratio in the cells. The model techniques developed in this work successfully demonstrated computational performance improvements for a range of conditions relevant for Highly Dilute SI and HCCI engine operation. Runtime reductions of 10% were observed for small mechanisms, with further reductions of up to 36% observed for larger mechanisms. Improvements were primarily related to reducing the number of chemical species tracked during the gas exchange process using the Dynamic Species Reduction method. With smaller benefits observed from changes to the kinetics binning and evaluation strategy in the post combustion region using the PDR method. The results of this work show the potential for improved computational runtime for complicated simulations. They can and should be extended to additional conditions and new bio-derived and renewable fuels as they are developed and new kinetic mechanisms become available.

10 SYNTHETIC FUELS↗

Gyrokinetic Particle Simulations of Core Turbulence in Fusion Plasmas

In this project, we have further developed GTC gyrokinetic particle simulations to study plasma confinement properties in the stellarators and tokamaks with 3D magnetic fields, where both neoclassical and turbulent transport are self-consistently treated on an equal footing.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Aggregating in vitro-grown adipocytes to produce macroscale cell-cultured fat tissue with tunable lipid compositions for food applications

We present a method of producing bulk cell-cultured fat tissue for food applications. Mass transport limitations (nutrients, oxygen, waste diffusion) of macroscale 3D tissue culture are circumvented by initially culturing murine or porcine adipocytes in 2D, after which bulk fat tissue is produced by mechanically harvesting and aggregating the lipid-filled adipocytes into 3D constructs using alginate or transglutaminase binders. The 3D fat tissues were visually similar to fat tissue harvested from animals, with matching textures based on uniaxial compression tests. The mechanical properties of cultured fat tissues were based on binder choice and concentration, and changes in the fatty acid compositions of cellular triacylglyceride and phospholipids were observed after lipid supplementation (soybean oil) during in vitro culture. This approach of aggregating individual adipocytes into a bulk 3D tissue provides a scalable and versatile strategy to produce cultured fat tissue for food-related applications, thereby addressing a key obstacle in cultivated meat production.

Yuen Jr, John Se Kit (ORCID:0000000198541654)↗

Isolation of Resistance-Bearing Microorganisms

To better exploit the principles of gas transport and mass transport during the processes of cell seeding of 3D scaffolds and in vitro culture of 3D tissue engineered constructs, the oscillatory cell culture bioreactor provides a flow of cell suspensions and culture media directly through a porous 3D scaffold (during cell seeding) and a 3D construct (during subsequent cultivation) within a highly gas-permeable closed-loop tube. This design is simple, modular, and flexible, and its component parts are easy to assemble and operate, and are inexpensive. Chamber volume can be very low, but can be easily scaled up. This innovation is well suited to work with different biological specimens, particularly with cells having high oxygen requirements and/or shear sensitivity, and different scaffold structures and dimensions. The closed-loop changer is highly gas permeable to allow efficient gas exchange during the cell seeding/culturing process. A porous scaffold, which may be seeded with cells, is fixed by means of a scaffold holder to the chamber wall with scaffold/construct orientation with respect to the chamber determined by the geometry of the scaffold holder. A fluid, with/without biological specimens, is added to the chamber such that all, or most, of the air is displaced (i.e., with or without an enclosed air bubble). Motion is applied to the chamber within a controlled environment (e.g., oscillatory motion within a humidified 37 C incubator). Movement of the chamber induces relative motion of the scaffold/construct with respect to the fluid. In case the fluid is a cell suspension, cells will come into contact with the scaffold and eventually adhere to it. Alternatively, cells can be seeded on scaffolds by gel entrapment prior to bioreactor cultivation. Subsequently, the oscillatory cell culture bioreactor will provide efficient gas exchange (i.e., of oxygen and carbon dioxide, as required for viability of metabolically active cells) and controlled levels of fluid dynamic shear (i.e., as required for viability of shear-sensitive cells) to the developing engineered tissue construct. This bioreactor was recently utilized to show independent and interactive effects of a growth factor (IGF-I) and slow bidirectional perfusion on the survival, differentiation, and contractile performance of 3D tissue engineering cardiac constructs. The main application of this system is within the tissue engineering industry. The ideal final application is within the automated mass production of tissue- engineered constructs. Target industries could be both life sciences companies as well as bioreactor device producing companies.

Venkateswaran, Kasthuri, J.↗

Oscillating Cell Culture Bioreactor

To better exploit the principles of gas transport and mass transport during the processes of cell seeding of 3D scaffolds and in vitro culture of 3D tissue engineered constructs, the oscillatory cell culture bioreactor provides a flow of cell suspensions and culture media directly through a porous 3D scaffold (during cell seeding) and a 3D construct (during subsequent cultivation) within a highly gas-permeable closed-loop tube. This design is simple, modular, and flexible, and its component parts are easy to assemble and operate, and are inexpensive. Chamber volume can be very low, but can be easily scaled up. This innovation is well suited to work with different biological specimens, particularly with cells having high oxygen requirements and/or shear sensitivity, and different scaffold structures and dimensions. The closed-loop changer is highly gas permeable to allow efficient gas exchange during the cell seeding/culturing process. A porous scaffold, which may be seeded with cells, is fixed by means of a scaffold holder to the chamber wall with scaffold/construct orientation with respect to the chamber determined by the geometry of the scaffold holder. A fluid, with/without biological specimens, is added to the chamber such that all, or most, of the air is displaced (i.e., with or without an enclosed air bubble). Motion is applied to the chamber within a controlled environment (e.g., oscillatory motion within a humidified 37 C incubator). Movement of the chamber induces relative motion of the scaffold/construct with respect to the fluid. In case the fluid is a cell suspension, cells will come into contact with the scaffold and eventually adhere to it. Alternatively, cells can be seeded on scaffolds by gel entrapment prior to bioreactor cultivation. Subsequently, the oscillatory cell culture bioreactor will provide efficient gas exchange (i.e., of oxygen and carbon dioxide, as required for viability of metabolically active cells) and controlled levels of fluid dynamic shear (i.e., as required for viability of shear-sensitive cells) to the developing engineered tissue construct. This bioreactor was recently utilized to show independent and interactive effects of a growth factor (IGF-I) and slow bidirectional perfusion on the survival, differentiation, and contractile performance of 3D tissue engineering cardiac constructs. The main application of this system is within the tissue engineering industry. The ideal final application is within the automated mass production of tissue- engineered constructs. Target industries could be both life sciences companies as well as bioreactor device producing companies.

Freed, Lisa E.↗

Secondary Volcanically-Induced Lunar Atmosphere and Lunar Volatiles: 3-D Modeling and Analysis

The fact that the Moon could have a transient secondary atmosphere due to volcanic outgassing has been known for some time, though typically such an atmosphere was believed to be extremely thin (~10-8 bar) [1]. But recent research by Needham and Kring (NK) [2] suggests that during the peak of volcanic activity ~3.5 Ga such a volcanically-outgassed atmosphere could reach ~10-2 bar of surface pressure. In similar research Wilson et al. [3] proposed a more conservative estimate, arguing that the thickness of such an atmosphere would depend on the intervals between major eruptions and may not exceed microbar densities. In either case a collisional atmosphere could be present, which would control transport of outgassed volatiles (such as H2O) and their deposition in polar regions, where they could be preserved until modern day frozen in permanently shadowed regions (PSR) or buried beneath the regolith. Here we study such a hypothetical atmosphere to investigate its stability, meteorological properties and the effect on transport of volatiles. We use the ROCKE-3D planetary 3-D General Circulation Model (GCM)[4]. The insolation and orbital parameters were set to conditions 3.5 Ga. The atmospheric composition, based on the list of outgassed species presented by NK in combination with our estimates for atmospheric escape, condensation and the results from our 1-D chemistry model, was chosen to be either CO-dominated or CO2-dominated (depending on atmospheric temperature). In this study we restricted ourselves to relatively "thick" lunar atmospheres of 1-10 mb, though we believe that our results will scale to thinner atmospheres as well. We present the results for ground and atmospheric temperature for modeled atmospheres over a wide parameter space. In particular we consider different atmospheric compositions (CO or CO2 dominated), a set of atmospheric pressures from 1 mb to 10 mb and a set of obliquities from 0o to 40o. We also present an experiment of a single major eruption [5] and show that in just 3 years ~80% of the outgassed water is deposited in polar regions. This demonstrates the efficiency of such an atmosphere in delivering volatiles. We argue that a secondary lunar atmosphere could play a significant role in forming volatile deposits currently observed in the polar regions of the Moon.

Lunar atmospheres↗

Li 21 Ge 8 P 3 S 34 : New Lithium Superionic Conductor with Unprecedented Structural Type

Abstract Lithium superionic conductors are pivotal for enabling all‐solid‐state batteries, which aim to replace liquid electrolytes and enhance safety. Herein, we report the discovery of an unprecedented lithium superionic conductor, Li 21 Ge 8 P 3 S 34 , featuring a novel structural type and a new composition in the Li–Ge–P–S system. This material exhibits high lithium ionic conductivity of approximately 1.0 mS cm −1 at 303 K with a low activation energy of 0.20(1) eV. It's unique crystal structure was elucidated using three‐dimensional electron diffraction (3D ED) and further refined through combined powder X‐ray and neutron diffraction analyses. The structure consists of alternating two‐dimensional slabs: one of corner‐sharing GeS 4 tetrahedra and the other of isolated PS 4 tetrahedra, enabling efficient lithium‐ion transport through a tetrahedrally interconnected network of 1D, 2D, and 3D diffusion pathways. This distinctive structural motif provides a novel design strategy for next‐generation solid electrolytes, broadening the structural landscape of lithium superionic conductors. With further advancements in compositional tuning and interfacial engineering, Li 21 Ge 8 P 3 S 34 could contribute to the development of high‐performance all‐solid‐state batteries.

Chemistry↗

3D Modelling of the Lithium Injection Experiment in H-Mode Plasma of EAST

Investigations of lithium transport in H-mode plasma of EAST tokamak have been performed by the three-dimensional fluid code EMC3-EIRENE. The simulation results show that the toroidally-localized lithium injection at the low field side (LFS) leads to a toroidally non-axisymmetric distribution of the Li 1+ and Li 2+ ions. The field line tracing approach is utilized to carry out a detailed study on the distributions of the Li 1+ and Li 2+ ions. It is found that Li 1+ ions mainly reside at the LFS while Li 2+ ions can transport from LFS to the high field side. The relationship between mean free path and connection length for Li 1+ and Li 2+ ions has been discussed. Here, the 3D line-integration images of deuterium and lithium emission spectra modelled by EMC3-EIRENE are in qualitative consistency with the experiment results.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Interrogating Solar Flare Loop Models With IRIS Observations 1: Overview of the Models, and Mass Flows

Solar flares are transient yet dramatic events in the atmosphere of the Sun, during which a vast amount of magnetic energy is liberated. This energy is subsequently transported through the solar atmosphere or into the heliosphere, and together with coronal mass ejections flares comprise a fundamental component of space weather. Thus, understanding the physical processes at play in flares is vital. That understanding often requires the use of forward modelling in order to predict the hydrodynamic and radiative response of the solar atmosphere. Those predictions must then be critiqued by observations to show us where our models are missing ingredients. While flares are of course 3D phenomenon, simulating the flaring atmosphere including an accurate chromosphere with the required spatial scales in 3D is largely beyond current computational capabilities, and certainly performing parameter studies of energy transport mechanisms is not yet tractable in 3D. Therefore, field-aligned 1D loop models that can resolve the relevant scales have a crucial role to play in advancing our knowledge of flares. In recent years, driven in part by the spectacular observations from the Interface Region Imaging Spectrograph (IRIS), flare loop models have revealed many interesting features of flares. For this review I highlight some important results that illustrate the utility of attacking the problem of solar flares with a combination of high quality observations, and state-of-the-art flare loop models, demonstrating: 1) how models help to interpret flare observations from IRIS, 2) how those observations show us where we are missing physics from our models, and 3) how the ever increasing quality of solar observations drives model improvements. Here in Paper one of this two part review I provide an overview of modern flare loop models, and of electron-beam driven mass flows during solar flares.

solar flares↗

Comparisons of Observations with Results from 3D Simulations and Implications for Predictions of Ozone Recovery

Although chemistry and transport models (CTMs) include the same basic elements (photo- chemical mechanism and solver, photolysis scheme, meteorological fields, numerical transport scheme), they produce different results for the future recovery of stratospheric ozone as chlorofluorcarbons decrease. Three simulations will be contrasted: the Global Modeling Initiative (GMI) CTM driven by a single year\'s winds from a general circulation model; the GMI CTM driven by a single year\'s winds from a data assimilation system; the NASA GSFC CTM driven by a winds from a multi-year GCM simulation. CTM results for ozone and other constituents will be compared with each other and with observations from ground-based and satellite platforms to address the following: Does the simulated ozone tendency and its latitude, altitude and seasonal dependence match that derived from observations? Does the balance from analysis of observations? Does the balance among photochemical processes match that expected from observations? Can the differences in prediction for ozone recovery be anticipated from these comparisons?

Douglass, Anne R.↗

Measuring Multicomponent Adsorption of Tracer Gases on Natural Zeolites

A natural clinoptilolite sample near the Nevada National Security Site was obtained to study adsorption and retardation on gas transport. Of interest is understanding the competition for adsorption sites that may reduce tracer gas adsorption relative to single-component measurements, which may be affected by the multi-scale pore structure of clinoptilolite. Clinoptilolite has three distinct domains of pore size distributions ranging from nanometers to micrometers: micropores with 0.4–0.7 nm diameters, measured on powders by CO2 adsorption at 273 K, representing the zeolite cages; mesopores with 4–200 nm diameters, observed using liquid nitrogen adsorption at 77 K; and macropores with 300–1000 nm diameters, measured by mercury injection on rock chips (~ 100 mesh), likely representing the microfractures. These pore size distributions are consistent with X-ray computed tomography (CT) and focused ion beam scanning electron microscope (FIB-SEM) images, which are used to construct the three-dimensional (3D) pore network to be used in future gas transport modeling. To quantify tracer gas adsorption in this multi-scale pore structure and multicomponent gas species environment, natural zeolite samples initially in equilibrium in air were exposed to a mixture of tracer gases. As the tracer gases diffuse and adsorb in the sample, the remaining tracer gases outside the sample fractionate. Using a quadrupole mass spectrometer to quantify this fractionation, the degree of adsorption of tracer gases in the multicomponent gas environment and multi-scale pore structure is assessed. The major finding is that Kr reaches equilibrium much faster than Xe in the presence of ambient air, which leads to more Kr uptake than Xe over limited exposure periods. When the clinoptilolite chips were exposed to humid air, the adsorption capability decreases significantly for both Xe and Kr with relative humidity (RH) as low as 3%. Both Xe and Kr reaches equilibrium faster at higher RH. The different, unexpected, adsorption behavior for Xe and Kr is due to their kinetic diameters similar to the micropores in clinoptilolite which makes it harder for Xe to access compared to Kr.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A 3-Dimensional Cockpit Display with Traffic and Terrain Information for the Small Aircraft Transportation System

The report discusses the architecture and the flight test results of a 3-Dimensional Cockpit Display of Traffic and terrain Information (3D-CDTI). The presented 3D-CDTI is a perspective display format that combines existing Synthetic Vision System (SVS) research and Automatic Dependent Surveillance-Broadcast (ADS-B) technology to improve the pilot's situational awareness. The goal of the 3D-CDTI is to contribute to the development of new display concepts for NASA's Small Aircraft Transportation System research program. Papers were presented at the PLANS 2002 meeting and the ION-GPS 2002 meeting. The contents of this report are derived from the results discussed in those papers.

UijtdeHaag, Maarten↗

Cellular fluidics

The natural world provides many examples of multiphase transport and reaction processes that have been optimized by evolution. These phenomena take place at multiple length and time scales and typically include gas–liquid–solid interfaces and capillary phenomena in porous media. Many biological and living systems have evolved to optimize fluidic transport. However, living things are exceptionally complex and very difficult to replicate, and human-made microfluidic devices (which are typically planar and enclosed) are highly limited for multiphase process engineering. In this paper, we introduce the concept of cellular fluidics: a platform of unit-cell-based, three-dimensional structures—enabled by emerging 3D printing methods—for the deterministic control of multiphase flow, transport and reaction processes. We show that flow in these structures can be ‘programmed’ through architected design of cell type, size and relative density. We demonstrate gas–liquid transport processes such as transpiration and absorption, using evaporative cooling and CO 2 capture as examples. We design and demonstrate preferential liquid and gas transport pathways in three-dimensional cellular fluidic devices with capillary-driven and actively pumped liquid flow, and present examples of selective metallization of pre-programmed patterns. Our results show that the design and fabrication of architected cellular materials, coupled with analytical and numerical predictions of steady-state and dynamic behaviour of multiphase interfaces, provide deterministic control of fluidic transport in three dimensions. Cellular fluidics may transform the design space for spatial and temporal control of multiphase transport and reaction processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Merger of the Dissolved Gas Method into RELAP5-3D

The Dissolved Gas Model (DGM) was developed for Bettis Atomic Power Laboratory in their own special version of RELAP5-3D known as NUPAC by a subcontractor to. Incorporation of this important code capability in RELAP5-3D was necessary for collaboration between INL and Bettis on future code development efforts. The changes necessary to implement DGM are fundamental, changing the very solver technology at the core of RELAP5-3D, and pervasive, requiring the addition of new subprograms and data, alteration of existing data structures, and modification of more than one hundred subprograms. Moreover, NUPAC and RELAP5-3D had evolved separately and in different directions for a decade and were significantly dissimilar, so the effort was both complex and time-consuming. To ensure its correctness, a large test set comprised thousands of input cases had been constructed and had to run correctly to prove DGM was implemented correctly. A novel method for transporting and adjusting the updates for DGM into RELAP5-3D was undertaken. Tens of thousands of lines of code were either changed or added resulting in a 100% successful implementation of DGM in RELAP5-3D.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Ultra-thick three-dimensional interpenetrating graphene electrode architectures for high volumetric density energy storage

For electrochemical energy storage, increasing the electrode thickness is an effective approach to achieving higher energy density from a given material. However, this often compromises ion transport, leading to diminished performance. Here, in this study, we present a novel platform for fabricating complex 3D interpenetrating electrode structures via photo-polymerization 3D printing, integrated with computational structural optimization for energy storage. The platform employs an acrylate resin system infused with graphene oxide (GO), enabling high-fidelity printing of optimized porous structures and facilitating efficient electron and ion transport in ultra-thick electrodes. The optimized 3D layouts substantially enhance energy and power densities compared to conventional configurations, ensuring superior material utilization and minimal ohmic losses. Supercapacitors fabricated using this approach achieved an exceptional energy density of 4.7 Wh L−1 at a power density of 1689.0 W L−1, surpassing traditional designs. This work underscores the transformative role of structural optimization in advancing electrochemical performance and establishes a versatile pathway for developing next-generation energy storage systems with exceptional efficiency and functionality.

Wang, Zhen [University of California, Berkeley, CA↗

Anisotropic Thermally Conductive Composites Enabled by Acoustophoresis and Stereolithography

Opportunities to improve thermal management in electronic devices are currently hindered by processing constraints that limit thermal conductivity in polymer-matrix composites. Active patterning of filler particles is a promising route to improve conductivity while retaining processability by improving particle contact density and directing heat along optimized pathways. Here, we employ acoustic patterning to align and compact filler particles into stripes during stereolithographic 3D printing. This approach produces polymer-based composite materials with highly efficient embedded heat transport pathways which reach 95 vol% particle utilization (relative to the parallel conduction upper limit). These composites exhibit anisotropic thermal conductivity up to 300% higher than unpatterned composites, with in-plane anisotropy ratios of up to 350%. Combining this high conductivity with 3D printing enables materials with engineered heat networks that optimize transport from hot spots to heatsinks while maintaining low viscosity for fast particle patterning and for infiltration around electronic components. Finally, numerical simulations of acoustic assembly of particles with varied geometry, when compared to experimentally characterized particle packing, illuminate pathways for further improving conductivity by optimizing particle geometry for alignment and stacking of particles with maximum contact surface area.

36 MATERIALS SCIENCE↗

Analysis of RF Sheath-Driven Tungsten Erosion at RF Antenna in the WEST Tokamak

This study applies the newly developed STRIPE (Simulated Transport of RF Impurity Production and Emission) framework to analyze tungsten (W) erosion at RF antenna structures in the WEST tokamak. STRIPE integrates SolEdge3x for edge plasma backgrounds, COMSOL for 3D RF sheath potentials, RustBCA for sputtering yields, and GITR for impurity transport and ion energy–angle distributions. Building on prior work by Kumar et al. (2025) Nuclear Fusion, 65, 076039, which validated STRIPE for WEST ICRH discharge #57877, the present study provides a spatially resolved assessment of gross W erosion at both Q2 antenna limiters under ohmic and ICRH conditions. Simulations using 2D SolEdge3x profiles in COMSOL capture rectified sheath potentials exceeding 300 V, leading to strong upper-limiter localization. Both poloidal and toroidal asymmetries are observed and attributed to RF sheath effects, with modeled erosion patterns deviating from experiment—highlighting sensitivity to sheath geometry and plasma resolution. Erosion is driven primarily by high-charge-state oxygen ions (O6+–O8+), while D+ plays a negligible role. Assuming a plasma composition of 1% oxygen and 98% deuterium, STRIPE predicts a 30-fold increase in gross W erosion from ohmic to ICRH phases, consistent with a >25-fold rise in W-I (400.9 nm) brightness. Quantitative agreement is within 5% in the ohmic phase and 30% under ICRH, demonstrating predictive capability. Importantly, the study shows that the magnitude of ICRH-driven W erosion depends strongly on the concentration of light impurities (O, B, N, C), which drive sputtering through high charge states. Cleaner plasma conditions with reduced impurity content are therefore expected to substantially mitigate antenna W sources in WEST and other toroidal fusion devices. These findings establish STRIPE as a predictive framework for RF-induced plasma–material interactions and support its application to reactor-scale antenna design.

Kumar, Atul [ORNL] (ORCID:0000000277475210)↗

Ozone formation during an episode over Europe: A 3-D chemical/transport model simulation

A 3-D regional photochemical tracer/transport model for Europe and the Eastern Atlantic has been developed based on the NASA/GISS CTM. The model resolution is 4x5 degrees latitude and longitude with 9 layers in the vertical (7 in the troposphere). Advective winds, convection statistics and other meteorological data from the NASA/GISS GCM are used. An extensive gas-phase chemical scheme based on the scheme used in our global 2D model has been incorporated in the 3D model. In this work ozone formation in the troposphere is studied with the 3D model during a 5 day period starting June 30. Extensive local ozone production is found and the relationship between the source regions and the downwind areas are discussed. Variations in local ozone formation as a function of total emission rate, as well as the composition of the emissions (HC/NO(x)) ratio and isoprene emissions) are elucidated. An important vertical transport process in the troposphere is by convective clouds. The 3D model includes an explicit parameterization of this process. It is shown that this process has significant influence on the calculated surface ozone concentrations.

Berntsen, Terje↗