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DOE OSTI2024

Evanescent and inertial-like waves in rigidly rotating odd viscous liquids

Three-dimensional non-rotating odd viscous liquids give rise to Taylor columns and support axisymmetric inertial-like waves ( J. Fluid Mech ., vol. 973, 2023, A30). When an odd viscous liquid is subjected to rigid-body rotation however, there arise in addition a plethora of other phenomena that need to be clarified. In this paper, we show that three-dimensional incompressible or two-dimensional compressible odd viscous liquids, rotating rigidly with angular velocity 𝛺, give rise to both oscillatory and evanescent inertial-like waves or a combination thereof (which we call of mixed type) that can be non-axisymmetric. By evanescent, we mean that along the radial direction, typically when moving away from a solid boundary, the velocity field decreases exponentially. These waves precess in a prograde or retrograde manner with respect to the rotating frame. The oscillatory and evanescent waves resemble respectively the body and wall-modes observed in (non-odd) rotating Rayleigh–Bénard convection ( J. Fluid Mech ., vol. 248, 1993, pp. 583–604). We show that the three types of waves (wall, body or mixed) can be classified with respect to pairs of planar wavenumbers 𝜅 which are complex, real or a combination, respectively. Experimentally, by observing the precession rate of the patterns, it would be possible to determine the largely unknown values of the odd viscosity coefficients. This formulation recovers as special cases recent studies of equatorial or topological waves in two-dimensional odd viscous liquids which provided examples of the bulk–interface correspondence at frequencies 𝜔 < 2⁢𝛺. We finally point out that the two- and three-dimensional problems are formally equivalent. Their difference then lies in the way data propagate along characteristic rays in three dimensions, which we demonstrate by classifying the resulting Poincaré–Cartan equations.

Mechanics↗

DOE OSTI2024

An enrichment wall modeling framework for spectral element methods

In the present work, a first-of-its-kind enrichment wall-model is developed within the spectral element method (SEM) framework for large-eddy simulations (LES) of wall-bounded turbulent flows. The method augments the polynomial solution in the wall-adjacent elements with an analytical law-of-the-wall enrichment function representing the mean velocity near the wall. In the solution representation, this enrichment function captures the large gradients in the boundary layer, which allows the polynomial modes to represent the turbulent fluctuations. The enriched solution is able to resolve the shear stress at the wall without any modification to the no-slip wall boundary conditions, which allows for greater accuracy in the near-wall region compared to traditional methods. The enrichment wall modeling approach is implemented in a high-order SEM computational fluid dynamics solver, Nek5000, and its performance is assessed in turbulent channel flow wall-modeled LES for a range of Reynolds numbers. It is demonstrated that the enrichment wall-model improves solution accuracy on under-resolved near-wall grids as compared to traditional shear stress wall-models.

42 ENGINEERING↗

DOE OSTI2024

Approaches for the Simulation of Coupled Processes in Evolving Fractured Porous Media Enabled by Exascale Computing

Models have historically represented fractured porous media with continuum descriptions that characterize the media using bulk parameters. The impact of small-scale features is not captured in these models, although they may be controlling the performance of subsurface applications. Pore-scale models can simulate processes in small-scale features by representing the pore space geometry explicitly but are computationally expensive for large domains. The alternative multiscale approach entails the combination of pore-scale and continuum-scale descriptions in a single framework. We use Chombo-Crunch, a computational capability that discretizes complex geometries with an adaptive, embedded boundary method to contrast these two approaches. Chombo-Crunch takes advantage of recent computational performance and memory bandwidth improvements resulting from the emergence of exascale computing resources. These combined improvements enable the efficient simulation of reactive transport in fractured media with a high degree of fidelity and the ability to capture the control small-scale processes exert on the overall medium evolution.

42 ENGINEERING↗

DOE OSTI2025

Building a new multiphysics workflow in MOOSE: application to tritium migration, trapping and advection in TMAP8

Fusion devices are anticipated to produce and consume several kilograms of tritium per year. This rare fuel resource is both highly mobile and radioactive, making tracking inventories a priority for operation and safety. The fusion safety program at the Idaho National Laboratory has been developing the Tritium Migration and Analysis Program (TMAP), of which the latest version is a MOOSE-based application. TMAP8 is verified against its predecessors and possesses additional multi-dimensional tritium migration modeling capabilities. As we extend its capabilities towards both whole device (in multiple dimensions) and whole plant (with multiple components) simulations, the syntax of inputs must become compact, descriptive, compatible with quality assurance processes, and as error-proof as achievable. The new Physics system developed MOOSE can set up equations and instantiating them on plant components. The system permits the automatic definition of complex discretization with a consistency between object parameters achieved programmatically. The Physics system can currently instantiate the equations for heat conduction and Navier Stokes weakly compressible flow. In MOOSE-terms, it automates the definition of kernels, boundary conditions, and several core and helper materials and fields. As part of this effort, Physics classes were developed for tritium migration, trapping and advection within either a multi-dimensional Navier Stokes fluid dynamics simulation, or a 1D thermal hydraulics piping system. In this presentation, we will showcase the new syntax, its application to several verification and validation cases which were already studied using the classical TMAP8 syntax, and a demonstration of the new coupling capabilities for the migration of tritium into blanket coolant channels and the subsequent advection into the coolant loop.

70 - PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

The GFDL‐CM4X Climate Model Hierarchy, Part II: Case Studies

This paper is Part II of a two‐part paper that documents the Climate Model version 4X (CM4X) hierarchy of coupled climate models developed at the Geophysical Fluid Dynamics Laboratory. Part I of this paper is presented in Griffies et al. (2025a, https://doi.org/10.1029/2024MS004861 ). Here we present a suite of case studies that examine ocean and sea ice features that are targeted for further research, which include sea level, eastern boundary upwelling, Arctic and Southern Ocean sea ice, Southern Ocean circulation, and North Atlantic circulation. The case studies are based on experiments that follow the protocol of version 6 from the Coupled Model Intercomparison Project. The analysis reveals a systematic improvement in the simulation fidelity of CM4X relative to its CM4.0 predecessor, as well as an improvement when refining the ocean/sea ice horizontal grid spacing from the 0.25° of CM4X‐p25 to the 0.125° of CM4X‐p125. Even so, there remain many outstanding biases, thus pointing to the need for further grid refinements, enhancements to numerical methods, and/or advances in parameterizations, each of which target long‐standing model biases and limitations.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Laboratory evaluation of cyclic underground hydrogen storage in the Temblor sandstone of the San Joaquin Basin, California

Underground Hydrogen Storage (UHS) in depleted oil and gas reservoirs could provide a cost-effective solution to balance seasonal fluctuations in renewable energy generation. However, data and knowledge on UHS at subsurface conditions are limited so it is difficult to estimate how effective this type of storage could be. In this study, we perform high pressure experiment to measure the effectiveness of cyclic hydrogen (H 2 ) storage in a specimen of Temblor sandstone retrieved from the San Joaquin Basin of California. Our experiment mimics reservoir pressure conditions to measure H 2 -brine relative permeability and fluid-rock interactions over the course of ten charging and discharging cycles. Initial gas breakthrough occurred at 15 % to 25 % H2 saturation in the specimen with 3 % NaCl brine as the resident fluid. Continuing injecting to 4 pore volumes (PV) of H 2 yielded an asymptotic H 2 saturation of 38 % to 41 %, a level often referred to as the irreducible gas saturation based on two-phase flow. The boundary condition in this study mimics the near wellbore region, which experiences bi-directional H 2 flow. This bi-directional flow led to evaporative drying of the specimen resulting in 94 % H 2 saturation at the end of 10th cycle. This indicates that cyclic flow and evaporative drying can lead to more efficient reservoir storage where a larger fraction of the reservoir porosity is usable to store H 2 . The produced gas stream consisted of H 2 mixed with 8 % to 22 % H 2 O, indicating formation dry-out by evaporation. Meanwhile, produced water chemistry indicated calcite and silicate dissolution, with calcite sourced from fossil fragments. This led to a loss of cementation and weakened the rock sample. Combined, our results indicate dry-out, compaction, increased H 2 saturation, rock weakening, and permeability loss during cyclic UHS. Overall, we anticipate that the combined effects should lead to higher than anticipated UHS storage efficiency per volume of sandstone reservoir rock.

08 HYDROGEN↗

DOE OSTI2025

A review of thermo-hydro-mechanical modeling of coupled processes in fractured rock: From continuum to discontinuum perspective

Coupled thermo-hydro-mechanical (THM) processes in fractured rock are playing a crucial role in geoscience and geoengineering applications. Diverse and conceptually distinct approaches have emerged over the past decades in both continuum and discontinuum perspectives leading to significant progress in their comprehending and modeling. This review paper offers an integrated perspective on existing modeling methodologies providing guidance for model selection based on the initial and boundary conditions. By comparing various models, one can better assess the uncertainties in predictions, particularly those related to the conceptual models. The review explores how these methodologies have significantly enhanced the fundamental understanding of how fractures respond to fluid injection and production, and improved predictive capabilities pertaining to coupled processes within fractured systems. It emphasizes the importance of utilizing advanced computational technologies and thoroughly considering fundamental theories and principles established through past experimental evidence and practical experience. The selection and calibration of model parameters should be based on typical ranges and applied to the specific conditions of applications. The challenges arising from inherent heterogeneity and uncertainties, nonlinear THM coupled processes, scale dependence, and computational limitations in representing field scale fractures are discussed. Realizing potential advances on computational capacity calls for methodical conceptualization, mathematical modeling, selection of numerical solution strategies, implementation, and calibration to foster simulation outcomes that intricately reflect the nuanced complexities of geological phenomena. Future research efforts should focus on innovative approaches to tackle the hurdles and advance the state-of-the-art in this critical field of study.

Coupling scheme↗

DOE OSTI2024

Inertia-induced mixing and reaction maximization in laminar porous media flows

Solute transport and biogeochemical reactions in porous and fractured media flows are controlled by mixing, as are subsurface engineering operations such as contaminant remediation, geothermal energy production, and carbon sequestration. Porous media flows are generally regarded as slow, so the effects of fluid inertia on mixing and reaction are typically ignored. Here, we demonstrate through microfluidic experiments and numerical simulations of mixing-induced reaction that inertial recirculating flows readily emerge in laminar porous media flows and dramatically alter mixing and reaction dynamics. An optimal Reynolds number that maximizes the reaction rate is observed for individual pore throats of different sizes. This reaction maximization is attributed to the effects of recirculation flows on reactant availability, mixing, and reaction completion, which depend on the topology of recirculation relative to the boundary of the reactants or mixing interface. Recirculation enhances mixing and reactant availability, but a further increase in flow velocity reduces the residence time in recirculation, leading to a decrease in reaction rate. The reaction maximization is also confirmed in a flow channel with grain inclusions and randomized porous media. Interestingly, the domain-wide reaction rate shows a dramatic increase with increasing Re in the randomized porous media case. This is because fluid inertia induces complex three-dimensional flows in randomized porous media, which significantly increases transverse spreading and mixing. This study shows how inertial flows control reaction dynamics at the pore scale and beyond, thus having major implications for a wide range of environmental systems.

Chen, Michael A. (ORCID:0000000294614710)↗

DOE OSTI2025

CFD modeling of natural circulation in LiCl-KCl molten salt closed loop

Characterizing flow within a molten salt closed-loop system is crucial for assessing system requirements, evaluating performance, and identifying potential flaws. Direct flow measurement using instrumentation is challenging due to extreme environmental conditions and the limitations associated with measuring molten salt flow under natural convection. Here, this study aims to provide comprehensive insights into the thermal-hydraulic behavior of a closed loop, with a particular focus on temperature distribution and velocity prediction. The Computational Fluid Dynamics (CFD) model demonstrated the capability to effectively simulate and predict both temperature distributions and flow velocities within the molten salt loop. The CFD model's predictive capability was validated by its ability to replicate temperature measurements under varying boundary conditions. The analysis revealed that the CFD model tends to underpredict temperatures in the cold leg and overpredict them in the hot leg, highlighting the need for continuous model refinement and acknowledging the limitations of using a steady-state approach. Furthermore, the potential of using external temperature measurements to estimate internal molten salt temperatures and predict flow velocity was explored, revealing that this approach could introduce up to a 5.5% error in flow velocity calculations. Line probes mapping temperature distributions across the tube's cross-section and molten salt provided valuable insights into temperature gradients, emphasizing the need for a thermal conductivity equation for molten salt with lower uncertainty to achieve more accurate temperature predictions of the system.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

DIII-D research to provide solutions for ITER and fusion energy

The DIII-D tokamak has elucidated crucial physics and developed projectable solutions for ITER and fusion power plants in the key areas of core performance, boundary heat and particle transport, and integrated scenario operation, with closing the core-edge integration knowledge gap being the overarching mission. New experimental validation of high-fidelity, multi-channel, non-linear gyrokinetic turbulent transport models for ITER provides strong confidence it will achieve Q ≥ 10 operation. Experiments identify options for easing H-mode access in hydrogen, and give new insight into the isotopic dependence of transport and confinement. Analysis of 2,1 islands in unoptimized low-torque IBS demonstration discharges suggests their onset time occurs randomly in the constant β phase, most often triggered by non-linear 3-wave coupling, thus identifying an NTM seeding mechanism to avoid. Pure deuterium SPI for disruption mitigation is shown to provide favorable slow cooling, but poor core assimilation, suggesting paths for improved SPI on ITER. At the boundary, measured neutral density and ionization source fluxes are strongly poloidally asymmetric, implying a 2D treatment is needed to model pedestal fuelling. Detailed measurements of pedestal and SOL quantities and impurity charge state radiation in detached divertors has validated edge fluid modelling and new self-consistent 'pedestal-to-divertor' integrated modeling that can be used to optimize reactors. New feedback adaptive ELM control minimizes confinement reduction, and RMP ELM suppression with sustained high core performance was obtained for the first time with the outer strike point in a W-coated, compact and unpumped small-angle slot divertor. Advances have been made in integrated operational scenarios for ITER and power plants. Wide pedestal intrinsically ELM-free QH-modes are produced with more reactor-relevant conditions, Low torque IBS with W-equivalent radiators can exhibit predator-prey oscillations in Te and radiation which need control. High-β P scenarios with q min > 2, q 95 –7.9, β N > 4, β T –3.3% and H 98y2 > 1.5 are sustained with high density ($\overline{n}$ = 7E19 m -3 , f G –1) for 6 τ E , improving confidence in steady-state tokamak reactors. Diverted NT plasmas achieve high core performance with a non-ELMing edge, offering a possible highly attractive core-edge integration solution for reactors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Determination of confinement regime boundaries via separatrix parameters on Alcator C-Mod based on a model for interchange-drift-Alfvén turbulence

The separatrix operational space (SepOS) model (Eich and Manz 2021 Nucl. Fusion 61 086017) is shown to predict the L–H transition, the L-mode density limit, and the ideal magnetohydrodynamic ballooning limit in terms of separatrix parameters for a wide range of Alcator C-Mod plasmas. The model is tested using Thomson scattering measurements across a wide range of operating conditions on C-Mod, spanning $\overline{n}_{\mathrm{e}}$ = 0.3–5.5 $\times 10^{20}\,$m −3 , $B_{\mathrm{t}} = 2.5$–8.0 T, and $B_{\mathrm{p}}$= 0.1–1.2 T. An empirical regression for the electron pressure gradient scale length, $\lambda_{{p}_{\mathrm{e}}}$, against a turbulence control parameter, $\alpha_{\mathrm{t}}$, and the poloidal fluid gyroradius, $\rho_{\mathrm{s,p}}$, is constructed for H-modes and found to require positive exponents for both regression parameters, indicating turbulence widening of near-scrape-off layer widths at high $\alpha_{\mathrm{t}}$ and an inverse scaling with $B_{\mathrm{p}}$, consistent with results on ASDEX Upgrade. The SepOS model is also tested in the unfavorable drift direction and found to apply well to all three boundaries, including the L–H transition as long as a correction to the Reynolds energy transfer term, $\alpha_\mathrm{RS} \lt 1$ is applied. I-modes typically exist in the unfavorable drift direction for values of $\alpha_{\mathrm{t}} \lesssim 0.3$. Finally, an experiment studying the transition between the Type-I ELMy and EDA H-mode is analyzed using the same framework. It is found that a recently identified boundary $\alpha_{\mathrm{t}} = 0.55$ at excludes most EDA H-modes but that the balance of wavenumbers responsible for the L-mode density limit, namely $k_\mathrm{EM} = k_\mathrm{RBM}$, may better describe the transition on C-Mod. The ensemble of boundaries validated and explored is then applied to project regime access and limit avoidance for the SPARC primary reference discharge parameters.

ELM suppression↗

DOE OSTI2025

Integrating Crack Detection and Pipe Shape Optimization for Enhanced Sewage System Durability

Crack detection in underground reinforced concrete pipes has been essential in determining the state of stormwater infrastructure. Detection models have been implemented for detecting cracks and other defects in pipes using CCTV footage for stormwater drainage systems. In addition, Finite element models have been used to determine optimum shapes and pipe thickness for different boundary conditions such as header pipes in power plants. The concept of shape optimization emerges as a crucial factor in power plant design and operation, with the potential to maximize performance while minimizing the use of materials. Shape optimization not only enhances efficiency but also contributes to reducing the environmental footprint. This paper discusses the integration of both topics by using the cracks detected in underground pipes as boundary conditions for shape optimization of the pipes. A machine learning model has been developed which uses limited data for training and outlines the location of detected cracks. A shape optimization methodology is proposed in which ANSYS modules are used to analyze fluid flow and then optimize the shape of the pipe. The crack detection model developed has been applied to a crack detected in lab setting and machine learning model used has an accuracy of 98% using a random forest algorithm.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2026

Modeling rf sheath formation in turbulent tokamak boundary plasma

During ICRF antenna operation, complex interactions between turbulent density profiles, nonlinear RF sheaths, and RF-induced convective transport are observed to alter plasma density in the tokamak edge [D’Ippolito et al., Nucl. Fusion 38, 1543 (1998)]. In this work, we explore the physics of such interactions via numerical modeling, using a nonlinear EM/plasma/sheath code (VSim) and profiles obtained from a fluid plasma turbulence code (Hermes) in a 3D slab domain containing biased side-wall limiters. RF-rectified sheath formation on antenna and limiter surfaces is observed as electromagnetic waves launched by the antenna are refracted through the turbulent density profile. On transport timescales, such sheath potentials have been shown to influence both the mean species density and its RMS fluctuation spectrum [Smithe et al., these proceedings]. On the faster RF timescales, we demonstrate that the converse is also true – regions of high plasma density near material surfaces give rise to the highest sheath potential amplitudes. When density is turbulent and spatially nonuniform, localized regions of high sheath potential (hotspots) may develop where high-density filaments intersect material surfaces. Such hotspots are of particular concern as sources of impurity sputtering, and we explore their behavior in response to changes both to the local plasma density and to antenna operating parameters and structure. Related results exploring the role of Faraday shields and/or enclosing structures in suppressing high sheath potentials for other devices (e.g. SPARC) will also be shown.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

A generalized effective potential for differentially rotating plasmas

Global stability of differentially rotating plasma is investigated using a generalized effective potential. We first, for a current-free system, obtain a general form of an effective potential in terms of the free energies of global curvature and gradients of rotation for non-axisymmetric disturbances. We then examine the stability of differentially rotating disks for several rotation profiles and present the associated effective potential for the onset of these instabilities in the MHD regime. In particular, results for global axisymmetric magnetorotational instability as well as local and global non-axisymmetric modes are presented. The latter constitute two distinct non-axisymmetric modes, a high frequency local MRI and a global low-frequency non-axisymmetric mode (the magneto-curvature mode, introduced in Ebrahimi and Pharr [Astrophys. J. 936, 145 (2022)]), confined either between two Alfvénic resonances or an Alfvénic resonance and a boundary.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2026

Which way does the dendrite grow? Competition among epitaxy, preferred growth direction, and thermal gradients in powder bed fusion additive manufacturing

The as-processed microstructure of metal alloy parts manufactured through laser powder bed fusion (LPBF) is heavily derived from the cellular dendritic solidification. The growth direction of dendrites within the melt pool is determined through competition among epitaxial growth, preferred growth directions, and maximum thermal gradients. However, the dominant factor and the specific role of each in developing melt pool microstructures remain unknown. Here, in this study, we performed single laser track scans on an SS316L single crystal substrate and combined experimental characterization of microstructure and crystal orientations with Computational Fluid Dynamics simulations of thermal gradients to evaluate the role of each factor in determining dendritic growth direction and evolution. Our results reveal that epitaxial growth dominates microstructure development by preferentially growing along a single 〈100〉 variant of the single crystal substrate adjacent to the melt pool boundary. Under LPBF’s highly curved and rapidly evolving thermal field, this preferential dendrite variant selection and its continued growth from the melt pool boundary to the centerline are governed by the local temperature gradient magnitude at the solid-liquid interface, rather than by the instantaneous maximum temperature gradient direction alone. Using these findings, we successfully predict changes in the dendrite growth direction with changing laser scan direction on a single crystal substrate, and show that the geometric melt pool centerline can deviate from the microstructural centerline because asymmetric local temperature gradient magnitudes transiently limit growth, resulting in different dendrite travel distances on each side of the melt pool.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Advanced Computational Modeling of High-Level Waste Vitrification at the Hanford Site

The U.S. Department of Energy (DOE) has selected vitrification for stabilizing legacy tank waste at the Hanford site, where radioactive waste from plutonium production was historically stored in underground tanks. This waste will be separated into low-activity waste (LAW) and high-level waste (HLW) fractions and processed at the Waste Treatment and Immobilization Plant (WTP). At WTP, glass melters are used for the vitrification of radioactive tank waste, transforming it into a stable borosilicate glass form for safe long-term storage. The melter vessel is constructed from highly durable and heat-resistant materials, where the vitrification process occurs. The main regions that are modeled are the melt pool, plenum, cold cap, riser/discharge chamber, and surrounding structure with insulation layers. Forced convection induced by air bubblers at the base of the melter ensure uniform temperature distribution and provide heat to the cold cap layer. The cold cap is a region of reacting batch feed that floats on top of the molten glass and is where the batch-to-glass reactions occur. Joule heating provided by electrodes mounted along the vertical walls of the melter and immersed directly in the glass, generates the necessary heat for the net endothermic conversion processes that occur in the cold cap. The high temperatures, radioactivity, and opaque nature of the glass prevent direct observation inside the melters. Therefore, computational models are essential for providing insight into factors that affect melter throughput. Thermocouples in the plenum provide operators with plenum temperature measurements. Operational adjustments include bubbling rate, voltage supplied to the electrodes, feed adjustments, and glass removal rate. Different computational fluid dynamics (CFD) models have been developed, each serving a specific purpose. There are CFD models of different scale melters, as well as models that capture the two-phase flow interfaces of rising bubbles in the molten glass or models with a simplified molten glass region so that the surrounding structure and plenum can be feasibly incorporated. Pilot-scale melter models have been developed to serve as validation of the methods employed in the simulation of the full-scale WTP melters. Models incorporating resolved bubbling are used to develop momentum source terms to implement into a single phase, multi-region, steady-state flow model that is being validated by measured process parameters such as glass production rate, voltage, input power, plenum temperatures, etc. The resolved bubbling model uses the multiphase volume of fluid approach to model the system with a high-resolution interface capturing scheme to maintain sharp interfaces between the molten glass and the air phase. The suite of CFD models is continually being improved to incorporate more realistic physics and achieve faster turnaround time. For example, an incremental controller is implemented to automatically adjust electrode voltage within the simulation to a molten glass set point temperature of 1150°C. Newer models feature improved meshes to ensure conformal meshes between regions and eliminate unnecessary mesh refinement in areas that are not of interest (such as boundary layers in offgas ports). Instead of explicitly modeling the structural, refractory, and insulation layers of the melter, a thermal resistance approach is used with published correlations used for boundary conditions. The development of robust and efficient CFD models will be instrumental in enabling the WTP to successfully fulfill its mission of safely stabilizing legacy nuclear waste.

12 - MGMT OF RADIOACTIVE AND NON-RADIOACTIVE WASTE↗

DOE OSTI2025

Unavoidable multilevel biaxial symmetry breaking in chiral hybrid liquid crystals

Chiral nematic or cholesteric liquid crystals (LCs) are fluid mesophases with long-ranged orientational order featuring a quasilayered periodicity imparted by a helical director configuration but lacking long-range positional order. Doping molecular cholesteric LCs with strongly anisotropic uniaxial colloidal particles adds another level of complexity because of the interplay between weak surface-anchoring boundary conditions and bulk-based elastic distortions near the particle-LC interface. Using cylindrical colloidal disks and rods with different geometric shapes and surface conditions, we demonstrate that these colloidal inclusions generically exhibit biaxial orientational probability distributions which may impart anomalously strong local biaxiality onto the hybrid cholesteric LC structure. Unlike nonchiral hybrid molecular-colloidal LCs, where biaxial order emerges only at critical colloid volume fractions exceeding some uniaxial-biaxial transition value, the orientational probability of the colloidal inclusions immersed in chiral nematic hosts is unambiguously biaxial even at infinite dilution. We demonstrate that the colloids induce local biaxial perturbations within the molecular orientational order of the LC host medium which strongly enhances the weak but native biaxial order of chiral nematic LC induced by the chiral symmetry breaking of the director field. With the help of analytical modeling and computer simulations based on the Landau–de Gennes free energy of the host LC around the colloids, we rationalize the observed multilevel biaxial order and conclude that it is not only unavoidable but also strongly enhanced compared to both achiral hybrid LCs and purely molecular cholesteric LCs.

biaxial liquid crystals↗

DOE OSTI2024

A Eulerian three-fluid flow framework for the study of fuel dispersal behavior under loss-of-coolant accident conditions

As the nuclear industry explores new fuel designs to accommodate increased burnup, studying fuel behavior during loss-of-coolant accidents is essential for ensuring the safe operation of light-water reactors. Here, this study presents a computational model to simulate the intricate three-phase flow dynamics of fuel dispersal following cladding breach, where solid fuel particles and carrier fission gases interact with the surrounding liquid or gas medium. The model utilizes a Eulerian three-fluid framework to depict the phase interaction within interpenetrating continua, treating fragmented fuel as granular material. Closure relationships for bulk-flow properties of the solid phase and detailed interfacial exchange terms in high-temperature, high-speed gas-solid-liquid flow scenarios are proposed. The model was validated using adiabatic experimental results in the literature, focusing on characterizing fuel dispersal behavior during loss-of-coolant accidents conditions. Settlement characteristics of the solids, quantified by the probability distribution of equivalent particles, closely matched probability density functions reported in experimental studies. Key highlights of this study include the theoretical description of a coupled three-phase flow with phase change, interpretation of the high-pressure boundary conditions and insights into the transient behavior of gas-solid-liquid phase dynamics during a simulated high-speed dispersal event.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗