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DOE OSTI2016

Collisional transport across the magnetic field in drift-fluid models

Drift ordered fluid models are widely applied in studies of low-frequency turbulence in the edge and scrape-off layer regions of magnetically confined plasmas. Here, we show how collisional transport across the magnetic field is self-consistently incorporated into drift-fluid models without altering the drift-fluid energy integral. We demonstrate that the inclusion of collisional transport in drift-fluid models gives rise to diffusion of particle density, momentum, and pressures in drift-fluid turbulence models and, thereby, obviates the customary use of artificial diffusion in turbulence simulations. We further derive a computationally efficient, two-dimensional model, which can be time integrated for several turbulence de-correlation times using only limited computational resources. The model describes interchange turbulence in a two-dimensional plane perpendicular to the magnetic field located at the outboard midplane of a tokamak. The model domain has two regions modeling open and closed field lines. The model employs a computational expedient model for collisional transport. Numerical simulations show good agreement between the full and the simplified model for collisional transport.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Fluid modeling of low-temperature plasmas

Fluid models are essential for understanding and predicting low-temperature plasma (LTP) behavior in various scientific and industrial settings. This paper provides an introductory tutorial on fluid modeling of LTPs, covering model formulation, implementation, and computational simulations. The tutorial focuses on five main components of the formulation of LTP fluid models: fluid flow, energy, chemistry, electromagnetism, and material properties, as well as in essential aspects of model implementations, including multiscale phenomena, multiphysics coupling, and numerical convergence. Designed for students and early-career researchers, this work offers a practical foundation for developing and using fluid models, from in-house computational codes to commercial software, bridging fundamental theory with real-world applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2014

Comparison of two-fluid and gyrokinetic models for kinetic Alfvén waves in solar and space plasmas

An analytical comparative study of a two-fluid and a gyrokinetic model of kinetic Alfvén waves (KAWs) is presented for various solar and space plasma environments. Based on the linear KAW dispersion relation for gyrokinetics (Howes et al. 2006), the wave group velocity and electromagnetic polarizations are obtained analytically. Then the gyrokinetic wave properties are compared with those of the two-fluid model. The results show that both models agree well with each other not only in the long wavelength regime (>> the ion gyroradius ρ {sub i}) for all cases considered, but also in wavelengths ∼ρ {sub i} and <<ρ {sub i} (still much larger than the electron gyroscale) for a moderate or low (≲ 1) and a high (>>1) ion/electron temperature ratio T {sub 0i}/T {sub 0e}, respectively. However, the fluid model calculations deviate strongly from the gyrokinetic model at scales <ρ {sub i} for a relatively low T {sub 0i}/T {sub 0e} due to the electron gyroradius effect. Meanwhile, the plasma β {sub i} can make the gyrokinetic dispersion relation of KAWs become complex and sometimes have an oscillation-like structure. With the inherent simplicity of the fluid theory, these results may improve our understanding of the applicability of the two-fluid model, and may have important implications for computer simulation studies of KAWs in the solar and space plasma surroundings.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Thermodynamically consistent semi-compressible fluids: a variational perspective

This paper presents (Lagrangian) variational formulations for single and multicomponent semi-compressible fluids with both reversible (entropy-conserving) and irreversible (entropy-generating) processes. Semi-compressible fluids are useful in describing low-Mach dynamics, since they are soundproof. These models find wide use in many areas of fluid dynamics, including both geophysical and astrophysical fluid dynamics. Specifically, the Boussinesq, anelastic and pseudoincompressible equations are developed through a unified treatment valid for arbitrary Riemannian manifolds, thermodynamic potentials and geopotentials. By design, these formulations obey the 1st and 2nd laws of thermodynamics, ensuring their thermodynamic consistency. This general approach extends and unifies existing work, and helps clarify the thermodynamics of semi-compressible fluids. To further this goal, evolution equations are presented for a wide range of thermodynamic variables: entropy density s, specific entropy η, buoyancy b, temperature T, potential temperature θ and a generic entropic variable χ; along with a general definition of buoyancy valid for all three semicompressible models and arbitrary geopotentials. Finally, the elliptic equation for the pressure perturbation (the Lagrange multiplier that enforces semi-compressibility) is developed for all three equation sets in the case of reversible dynamics, and for the Boussinesq/anelastic equations in the case of irreversible dynamics; and some discussion is given of the difficulty in formulating it for the pseudoincompressible equations with irreversible dynamics.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Searching for Suitable Binary Fluid for an Ejector Heat Pump for Domestic Water Heating

Water heating is a major source of energy consumption in the U.S. residential sector. Heat pumps can significantly increase the energy efficiency of water heating. An ejector heat pump (EHP) is a novel, thermally driven heat pump that uses an ejector as a thermocompressor. Choosing suitable working fluids is critical in developing high-performance EHPs. Therefore, this research screens binary fluid pairs (BFPs) for EHPs to produce domestic hot water at a high coefficient of performance (COP). The criteria for screening BFP candidates for EHP water heaters (EHPWHs) are established, and BFP candidates are shortlisted. This study identifies HFE7000, Novec649, HFE7100, HFE7200, and HFE7500 for the primary fluids and RE170, R600a, R600, and R1234ze(Z) for the secondary fluids. The thermodynamic model is employed to investigate the performance of EHPWHs using the shortlisted BFPs under various operating parameters, including the evaporation pressure of the primary working fluid in the high-temperature evaporator and the condensation temperature. In conclusion, the highest heating-cycle COP of 1.328 is achieved by an EHPWH operating with HFE7000/R600 at a condenser temperature of 50 °C and a pressure of 1.69 MPa in the high-temperature evaporator.

42 ENGINEERING↗

DOE OSTI2017

Alteration of fault deformation mode under fluid injection

First experimental results on fluid injection influence on a mode of interblock contact deformation are reported. It is found that deformation energy consumed to radiate seismic waves largely depends on parameters of a fluid injected into a fracture. Dilatant fluid appears to be the most efficient to decrease seismic energy as viscosity of such fluid grows with increasing deformation rate. In laboratory tests the slip-stick motion mode transforms into a quasi-stable creep in a single deformation cycle after fluid injection is ceased.

42 ENGINEERING↗

DOE OSTI2019

Restrictive Intraoperative Fluid Therapy is Associated with Decreased Morbidity and Length of Stay Following Hyperthermic Intraperitoneal Chemoperfusion

Background: Recent data have demonstrated multiple benefits of intra- and postoperative fluid restriction in major abdominal surgery; however, data regarding the outcomes of fluid restriction in cytoreductive surgery and hyperthermic intraperitoneal chemoperfusion (CRS/HIPEC) are limited. This study evaluates the safety and short-term clinical outcomes of restricted intraoperative fluid therapy in CRS/HIPEC. Methods: This was a single-institution, retrospective review of all CRS/HIPEC procedures performed at the University of Massachusetts Medical School between January 2009 and July 2017. Recorded variables included demographics, intraoperative factors, 60-day postoperative complications, and length of stay (LOS). Outcomes based on the use of intraoperative permissive fluid therapy (PFT) versus restrictive fluid therapy (RFT) were compared. Results: Overall, 169 CRS/HIPEC cases were performed during the study period; 84 were managed with PFT and 85 were managed with RFT. No significant differences were identified in patient demographics. There was a decrease in intraoperative administration of crystalloid (8.0 vs. 4.4 L, p < 0.01), colloid (900 vs. 300 mL, p < 0.01), and blood transfusion (0.26 vs. 0.04 units, p < 0.01) in the RFT cohort. LOS was reduced from 11.5 to 9.7 days (p < 0.01) and the incidence of any 60-day complication decreased from 45 to 28% (p = 0.02) in the RFT group. The overall 90-day mortality rate was 0.6% (n = 1). Adjusted logistic regression demonstrated the odds of having a Clavien–Dindo grade III or higher complication was 0.31 (95% confidence interval 0.10–0.95) with RFT. Conclusion: Intraoperative RFT with standard anesthesia monitoring devices can be safely used in CRS/HIPEC and is associated with a decreased LOS and decreased rate of postoperative complications.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2020

Experimental Investigation of Inhibitive Drilling Fluids Performance: Case Studies from United States Shale Basins

Shale formations are attractive prospects due to their potential in oil and gas production. Some of the largest shale formations in the mainland US, such as the Tuscaloosa Marine Shale (TMS), have reserves estimated to be around 7 billion barrels. Despite their huge potential, shale formations present major concerns for drilling operators. These prospects have unique challenges because of all their alteration and incompatibility issues with drilling and completion fluids. Most shale formations undergo numerous chemical and physical alterations, making their interaction with the drilling and completion fluid systems very complex to understand. In this study, a high-pressure, high-temperature (HPHT) drilling simulator was used to mimic real time drilling operations to investigate the performance of inhibitive drilling fluid systems in two major shale formations (Eagle Ford Shale and Tuscaloosa Marine Shale). A series of drilling experiments using the drilling simulator and clay swelling tests were conducted to evaluate the drilling performance of the KCl drilling fluid and cesium formate brine systems and their effectiveness in minimizing drilling concerns. Cylindrical cores were used to mimic vertical wellbores. It was found that the inhibitive muds systems (KCl and cesium formate) provided improved drilling performance compared to conventional fluid systems. Among the inhibitive systems, the cesium formate brine showed the best drilling performances due to its low swelling rate and improved drilling performance.

04 OIL SHALES AND TAR SANDS↗

NASA NTRS1979

A review of the consequences of fluid and electrolyte shifts in weightlessness

This review describes the renal-endocrine mechanisms related to the early losses of fluid-electrolytes from the body during weightlessness as well as their contribution to longer term adaptation of fluid-electrolyte balance. The hypotheses presented were generated by a systematic analysis of body fluid and renal dynamics observed under conditions of actual and simulated spaceflight. These have increased our understanding of the effects of acute headward fluid shifts on renal excretion, the factors promoting excess sodium excretion and the regulation of extracellular fluid composition.

Review↗

DOE OSTI2018

An All Hydrophilic Fluid Diode for Unidirectional Flow in Porous Systems

Abstract A fluid diode that allows fluid flow in one direction but blocks fluid flow in the opposite direction has wide applications including oil recovery, drug delivery, and lab‐on‐a‐chip microfluidics. Many studies are conducted to facilitate directional liquid motion on the solid surface or across thin porous layers. However, the self‐driven one‐way flow inside porous systems still remains a significant challenge. Here, a novel all‐hydrophilic fluid diode (AHFD) made of porous materials with asymmetric pores is reported, which allows capillary flow in a chosen direction. The direction‐dependent flow process and the breakthrough pressure are experimentally and theoretically examined. The proposed AHFD can have many potential applications such as functional protective clothing, microfluidic valve, and oil–water separator, and the idea can be extended to develop other all lyophilic fluid diodes such as oleophilic diode.

Shou, Dahua↗

DOE OSTI2024

Patterned Quasi-Liquid Surfaces for Condensation of Low Surface Tension Fluids

Extensive research concerns dropwise condensation of low surface tension fluids to promote energy efficiency and decarbonization in thermal energy systems. However, it is challenging as these fluids typically result in filmwise condensation. Drawing inspiration from the Namib desert beetle that enhances condensation through patterned wettability, conventional beetle-inspired surfaces excel in water condensation but flood when condensing low surface tension fluids. In this work, a patterned quasi-liquid surface is reported that achieves exceptional dropwise condensation of low surface tension fluids. The surface consists of alternating stripes with low surface energy, that is, a perfluoropolyether (PFPE) and fluorinated quasi-liquid surface (FQLS), that shows ultralow contact angle hysteresis for ethanol and hexane. Further, the PFPE stripes are slightly more slippery, acting as slippery bridges that accelerate droplet coalescence and removal. It is experimentally demonstrated that the striped PFPE-FQLS pattern exhibits a heat transfer coefficient 85%, 330%, and 550% higher than that of PFPE, fluorinated silane, and filmwise condensation, respectively. This study reveals that a high contact angle is desired to sustain dropwise condensation, irrespective of contact angle hysteresis. These findings provide a new paradigm for promoting the dropwise condensation of low surface tension fluids and offer valuable insights into surface design for energy sustainability.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Aqueous Diels–Alder reactions for thermochemical storage and heat transfer fluids identified using density functional theory

Thermal storage and transfer fluids have important applications in industrial, transportation, and domestic settings. Current thermal fluids have relatively low specific heats, often significantly below that of water. However, by introducing a thermochemical reaction to a base fluid, it is possible to enhance the fluid's thermal properties. Here, density functional theory (DFT) is used to screen Diels–Alder reactions for use in aqueous thermal fluids. From an initial set of 52 reactions, four are identified with moderate aqueous solubility and predicted turning temperature near the liquid region of water. These reactions are selectively modified through 60 total functional group substitutions to produce novel reactions with improved solubility and thermal properties. Among the reactions generated by functional group substitution, seven have promising predicted thermal properties, significantly improving specific heat (by as much as 30.5%) and energy storage density (by as much as 4.9%) compared to pure water.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

A Thermo‐Flow‐Mechanics‐Fracture Model Coupling a Phase‐Field Interface Approach and Thermo‐Fluid‐Structure Interaction

This work proposes a novel approach for coupling non-isothermal fluid dynamics with fracture mechanics to capture thermal effects within fluid-filled fractures accurately. This method addresses critical aspects of calculating fracture width in enhanced geothermal systems, where the temperature effects of fractures are crucial. The proposed algorithm features an iterative coupling between an interface-capturing phase-field fracture method and interface-tracking thermo-fluid-structure interaction using arbitrary Lagrangian–Eulerian coordinates. We use a phase-field approach to represent fractures and reconstruct the geometry to frame a thermo-fluid-structure interaction problem, resulting in pressure and temperature fields that drive fracture propagation. We developed a novel phase-field interface model accounting for thermal effects, enabling the coupling of quantities specific to the fluid-filled fracture with the phase-field model through the interface between the fracture and the intact solid domain. We provide several numerical examples to demonstrate the capabilities of the proposed algorithm. In particular, we analyze mesh convergence of our phase-field interface model, investigate the effects of temperature on crack width and volume in a static regime, and highlight the method's potential for modeling slowly propagating fractures.

fracture↗

DOE OSTI2024

Rindler fluids from gravitational shockwaves

We study a correspondence between gravitational shockwave geometry and its fluid description near a Rindler horizon in Minkowski spacetime. Utilizing the Petrov classification that describes algebraic symmetries for Lorentzian spaces, we establish an explicit mapping between a potential fluid and the shockwave metric perturbation, where the Einstein equation for the shockwave geometry is equivalent to the incompressibility condition of the fluid, augmented by a shockwave source. Then we consider an Ansatz of a stochastic quantum source for the potential fluid, which has the physical interpretation of shockwaves created by vacuum energy fluctuations. Under such circumstance, the Einstein equation, or equivalently, the incompressibility condition for the fluid, becomes a stochastic differential equation. By smearing the quantum source on a stretched horizon in a Lorentz invariant manner with a Planckian width (similarly to the membrane paradigm), we integrate fluctuations near the Rindler horizon to find an accumulated effect of the variance in the round-trip time of a photon traversing the horizon of a causal diamond.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Fluid Dynamics Effects on Microstructure Prediction in Single-Laser Tracks for Additive Manufacturing of IN625

Single-track laser fusion were simulated using a heat-transfer-solidification-only (HTS) model and its extension with fluid dynamics (HTS_FD) model using a parallel open-source code, which included laminar fluid dynamics, flat-free surface of the molten alloy, heat transfer, phase-change, evaporation, and surface tension phenomena. The results illustrate that the fluid dynamics affects the solidification and ensuing microstructure. For the HTS_FD simulations, thermal gradient, G was found to exhibit a maximum at the extremity of the solidified pool ( i.e. , at the free surface), while for HTS simulations, G exhibited a maximum around the entire edge of the solidified pool. HTS_FD simulations predicted a wider range of cooling rates than the HTS simulations, exhibited an increased spread in the solidification speed, V variation within the melt-pool with respect to the HTS model results. Primary dendrite arm spacing (PDAS) were evaluated based on power law correlations and marginal stability theory models using the ( G , V ) from HTS and HTS_FD simulations to quantify the effect of the fluid dynamics on the microstructure. At low-laser powers and low-scan speeds, the PDAS obtained with the fluid dynamics model (HTS_FD) was larger by more than 30 pct with respect to the PDAS calculated with the simple HTS model. A new PDAS correlation, i.e. , \( \lambda_{1} \left[ {\mu {\text{m}}} \right] = 832\;G\left[ {\text{K/m}} \right]^{ - 0.5} V\left[ {\text{m/s}} \right]^{ - 0.25} \) , which uses the ( G , V ) results from the HTS_FD model was developed and validated against experimental results.

36 MATERIALS SCIENCE↗

DOE OSTI2016

Characterization of immiscible fluid displacement processes with various capillary numbers and viscosity ratios in 3D natural sandstone

We characterize the influence of reservoir conditions upon multiphase flow, we calculated fluid displacements (drainage processes) in 3D pore spaces of Berea sandstone using two-phase lattice Boltzmann (LB) simulations. The results of simulations under various conditions were used to classify the resulting two-phase flow behavior into three typical fluid displacement patterns on the diagram of capillary number (Ca) and viscosity ratio of the two fluids (M). In addition, the saturation of the nonwetting phase was calculated and mapped on the Ca–M diagram. We then characterized dynamic pore-filling events (i.e., Haines jumps) from the pressure variation of the nonwetting phase, and linked this behavior to the occurrence of capillary fingering. The results revealed the onset of capillary fingering in 3D natural rock at a higher Ca than in 2D homogeneous granular models, with the crossover region between typical displacement patterns broader than in the homogeneous granular model. Furthermore, saturation of the nonwetting phase mapped on the Ca–M diagram significantly depends on the rock models. These important differences between two-phase flow in 3D natural rock and in 2D homogeneous models could be due to the heterogeneity of pore geometry in the natural rock and differences in pore connectivity. By quantifying two-phase fluid behavior in the target reservoir rock under various conditions (e.g., saturation mapping on the Ca–M diagram), our approach could provide useful information for investigating suitable reservoir conditions for geo-fluid management (e.g., high CO 2 saturation in CO 2 storage).

58 GEOSCIENCES↗

DOE OSTI2026

Mobility of heavy rare earth elements in magmatic-hydrothermal systems: Experimental determination of DyPO 4 solubility in supercritical fluids

Dysprosium (Dy) is part of the heavy rare earth elements (REE) and a critical component in the production of high-performance super magnets used in wind turbines, electric vehicles, and other green technologies. The HREE phosphate, xenotime, is commonly associated with hydrothermal systems, where the mobility, fractionation, and deposition of REE are controlled by the stability of aqueous complexes and solubility of REE minerals which depend on temperature, pressure, and fluid composition (salinity, pH, and ligand availability). Here, we conducted a series of synthetic DyPO 4 solubility experiments in NaCl-HCl-bearing aqueous solutions (pH of 2 at 25 °C) from 500 to 700 °C and 1.5 kbar using externally heated pressure vessels. DyPO 4 displays a strong prograde solubility with temperature across all studied fluid salinities (0–0.5 m NaCl). The DyPO₄ solubility isotherms at 500 °C, 600 °C, and 700 °C show a complex relationship with salinity where DyPO₄ solubility is highest (39.2–1552 ppm at 500–700 °C) in 0 m NaCl solutions, decreases strongly (21–331 ppm at 500–700 °C) in the 0.06 m NaCl solutions and remains relatively constant in the 0.25 m (42.8–248 ppm) and 0.5 m NaCl (40.2–124 ppm) solutions. Thermodynamic modeling suggests that pH increases as a function of temperature and salinity, and controls solubility due to the stability of chloride complexes (i.e., DyCl +2 and DyCl 2 + ) at 500–600 °C, transitioning to hydroxyl complexes (i.e., Dy(OH) 3 0 ) dominating at 700 °C and relatively alkaline pH. Comparison with NdPO 4 solubility data indicates that the light REE in monazite is significantly more soluble than the heavy REE in xenotime in saline fluids at high temperature (500–700 °C), implying efficient light/heavy REE fractionation in supercritical fluids. The lower solubility of DyPO 4 relative to NdPO 4 suggests that at high temperatures, acidic (pH 2–4), low-salinity (∼5 wt% NaCl) fluids will favor the precipitation of xenotime over monazite as it will cool from 700 °C to below 500 °C. These observations align with paragenetic mineral assemblages in NYF pegmatites (e.g., Baveno, Italy), where xenotime commonly immobilizes heavy REE during the high-temperature hydrothermal stages.

58 GEOSCIENCES↗

DOE OSTI2022

Effect of oxidative breakers on organic matter degradation, contaminant mobility and critical mineral release during shale-fracturing fluid interactions in the Marcellus Shale

Oil and gas production from organic-rich shale formations has become viable through advancements in multistage hydraulic fracturing. However, fluctuations in oil and gas prices, coupled with the sharp decline in gas production after the initial days of fracturing operations, drive operators to devise strategies for enhancing hydrocarbon production. The use of highly reactive fracturing fluids that include strong oxidizing agents, also known as breakers, can potentially increase well productivity. The oxidative breakers are used to reduce the viscosity of gel-based fluids after the proppant is transported into fracture zones of the target formation. These breakers can also degrade the organic matter, enhancing the release of hydrocarbons. However, chemical byproducts generated by the interaction of oxidative breakers with the shale matrix have not been extensively studied. Here, this study investigated the fluid-rock interactions between Marcellus Shale and synthetic hydraulic fracturing fluid (HFF) solutions comprising three different oxidative breakers, i.e., ammonium persulfate, sodium bromate, and sodium hypochlorite, commonly used in the Appalachian Basin, USA. Our results demonstrate that the type of oxidizing breakers used in the HFF controlled the type and amount of volatile organic compounds (VOCs) and semi-volatile organic compounds (SVOCs) produced. In all HFF reacted effluents, we observed the transformation of VOCs and the presence of organic acids in variable amounts. However, effluents from HFF containing sodium bromate and sodium hypochlorite breakers showed the presence of several halogenated organic compounds. Changes in major ions and mineralogy indicate that carbonate dissolution and barite precipitation were ubiquitous in all shale reacted effluents. Our results also demonstrate that the addition of oxidative breakers increased the concentration of several major and trace elements in the effluents. These elements fall under the critical mineral (CM) or critical element category due to their high demand in emerging technologies and susceptibility to supply chain disruption due to variety of factors. However, before oxidative breakers can be used at a larger field scale to enhance the release and recovery of CM and hydrocarbons, a better understanding is required of the potential environmental impacts associated with the generation and transformation of contaminants during breaker-fluid-rock interaction.

54 ENVIRONMENTAL SCIENCES↗