Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “complex fluids”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Closed-Loop Control of Active Nematic Flows

Stabilizing and shaping autonomous flows of active fluids is a fundamental challenge and a prerequisite for applications. We embed a light-responsive microtubule-based nematic in a proportional-integral control loop that adjusts the applied light intensity in response to real-time measurements of the spatially averaged flow speed. The self-regulating hardware-software-wetware system maintains a target flow speed against external or internal perturbations, including protein aging and aggregation, sample-to-sample variability, and temperature variation. Varying the controller’s gains reveals antagonistic roles between feedback and intrinsic processes, leading to nontrivial dynamics observed in fluctuation spectra. In particular, oscillations emerge from the interplay between the controller, motor binding kinetics, and active hydrodynamic relaxation. Accounting for the underlying binding timescale, our coarse-grained model and nematohydrodynamics simulations corroborate these observations. This work provides insight into the coupled dynamics of controlled active matter, laying the foundation for spatiotemporal patterning of active stress to generate and stabilize new dynamical configurations.

Active nematics↗
DOE OSTI2024

A structural underpinning of the lower critical solution temperature (LCST) behavior behind temperature-switchable liquids

In this work, we use state-of-the-art X-ray scattering and molecular dynamics to analyze amine-water mixtures that show the unusual lower critical solution temperature (LCST) behavior. The goal is to provide direct experimental evidence for the entropy-lowering molecular cluster formation hypothesized as necessary for LCST behavior. Differential wide-angle X-ray scattering and pair distribution analysis and small-angle X-ray scattering measurements were combined with molecular modeling and liquid-liquid equilibrium measurements, revealing direct experimental evidence for the hypothesis. However, the response of the amine phase to accommodating water is even more subtle than the simple hypothesis suggests, with the formation of robust nanoscale reverse micelles. The techniques developed in this paper can be expected to yield insights in the use of temperature-switchable liquids in solvent extraction and other separations, and the stabilization of organelles in living cells that do not have physical membranes but do require compositional gradients to operate.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Viscometric flow of dense granular materials under controlled pressure and shear stress

This study examines the flow of dense granular materials under external shear stress and pressure using discrete element method simulations. In this method, the material is allowed to strain along all periodic directions and adapt its solid volume fraction in response to an imbalance between the internal state of stress and the external applied stress. By systematically varying the external shear stress and pressure, the steady rheological response is simulated for: (1) rate-independent quasi-static flow; and (2) rate-dependent inertial flow. The simulated flow is viscometric with non-negligible first and second normal stress differences. While both normal stress differences are negative in inertial flows, the first normal stress difference switches from negative to slightly positive, and second normal stress difference tends to zero in quasi-static flows. The first normal stress difference emerges from a lack of coaxiality between a second-rank contact fabric tensor and strain rate tensor in the flow plane, while the second normal stress difference is linked to an excess of contacts in the shear plane compared with the vorticity direction. A general rheological model of second order (in terms of strain rate tensor) is proposed to describe the two types of flow, and the model is calibrated for various values of interparticle friction from simulations on nearly monodisperse spheres. The model incorporates normal stress differences in both regimes of flow and provides a complete viscometric description of steady dense granular flows.

42 ENGINEERING↗
DOE OSTI2020

Competitive Pi-Stacking and H-Bond Piling Increase Solubility of Heterocyclic Redoxmers

Redoxmers are organic molecules that carry electric charge in flow batteries. In many instances, they consist of heteroaromatic moieties modified with appended groups to prevent stacking of the planar cores and increase solubility in liquid electrolytes. This higher solubility is desired as it potentially allows achieving greater energy density in the battery. However, the present synthetic strategies often yield bulky molecules with low molarity even when they are neat and still lower molarity in liquid solutions. Fortunately, there are exceptions to this rule. Here, we examine one well-studied redoxmer, 2,1,3-benzothiadiazole, which has solubility similar to 5.7 M in acetonitrile at 25 degrees C. We demonstrate computationally and prove experimentally that the competition between two packing motifs, face-to-face it-stacking and random N-H bond piling, introduces frustration that confounds nucleation in crowded solutions. Our findings and examples from related systems suggest a complementary strategy for the molecular design of redoxmers for high energy density redox flow cells.

25 ENERGY STORAGE↗
DOE OSTI2021

Antifouling strategies for protecting bioelectronic devices

Bioelectronic devices are playing an increasingly important role in many areas of our lives. They power a significant portion of medical diagnostics and are becoming more and more important for delivery of therapeutics and monitoring of chronic symptoms. However, surface fouling phenomena, and especially biofouling in complex biological fluids, restricts the performance of these devices and severely reduces their useful lifespan. In this Research Update, we discuss the main principles and strategies that researchers use to prevent fouling and minimize or remove the foulants from bioelectronic device surfaces. We also survey a variety of antifouling approaches that can enhance device performance.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Nanoparticle localization within chiral liquid crystal defect lines and nanoparticle interactions

Self-assembly of colloidal particles into predefined structures is a promising way to design inexpensive manmade materials with advanced macroscopic properties. Doping of nematic liquid crystals (LCs) with nanoparticles has a series of advantages in addressing these grand scientific and engineering challenges. It also provides a very rich soft matter platform for the discovery of unique condensed matter phases. The LC host naturally allows the realization of diverse anisotropic interparticle interactions, enriched by the spontaneous alignment of anisotropic particles due to the boundary conditions of the LC director. Here we demonstrate theoretically and experimentally that the ability of LC media to host topological defect lines can be used as a tool to probe the behavior of individual nanoparticles as well as effective interactions between them. LC defect lines irreversibly trap nanoparticles enabling controlled particle movement along the defect line with the use of a laser tweezer. Minimization of Landau–de Gennes free energy reveals a sensitivity of the ensuing effective nanoparticle interaction to the shape of the particle, surface anchoring strength, and temperature, which determine not only the strength of the interaction but also its repulsive or attractive character. Theoretical results are supported qualitatively by experimental observations. Furthermore, this work may pave the way toward designing controlled linear assemblies as well as one-dimensional crystals of nanoparticles such as gold nanorods or quantum dots with tunable interparticle spacing.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Activity-induced propulsion and separation of passive chiral particles in liquids

Recent literature shows that chiral particles driven by vorticity gradients of a base Newtonian liquid can separate only in nonlinear or nonstationary flows. Here, we show that a base Newtonian liquid endowed with rotational degrees of freedom, can give rise to chiral particle propulsion and separation even in the Stokes flow approximation. We consider active mechanisms generating spatially inhomogeneous vorticity in the base liquid in a channel such as a magnetic torque, a pressure gradient and a sliding wall. These mechanisms generate regions of spatially inhomogeneous vorticity maintained by the internal angular momentum, propelling the chiral particles according to their handedness. Similar conclusions can be reached when one of the channel walls is replaced by a free surface acted on by surface shear. This behavior is in contrast to the case of standard Newtonian liquids where chiral particle propulsion generated by vorticity gradients is not possible in Stokes flow. Furthermore, this effect can find applications in industry, biology and medicine.

42 ENGINEERING↗
DOE OSTI2023

Rectified Rotational Dynamics of Mobile Inclusions in Two-Dimensional Active Nematics

We investigate the dynamics of mobile inclusions embedded in 2D active nematics. The interplay between the inclusion shape, boundary-induced nematic order, and autonomous flows powers the inclusion motion. Disks and achiral gears exhibit unbiased rotational motion, but with distinct dynamics. In comparison, chiral gear-shaped inclusions exhibit long-term rectified rotation, which is correlated with dynamics and polarization of nearby +1/2 topological defects. Furthermore, the chirality of defect polarities and the active nematic texture around the inclusion correlate with the inclusion’s instantaneous rotation rate. Inclusions provide a promising tool for probing the rheological properties of active nematics and extracting ordered motion from their inherently chaotic motion.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Reduced Order Model to Predict Dispersion of Flammable Refrigerant into a Space

As the HVAC&R industry mobilizes to deploy more low-GWP refrigerants, relevant standards are being continually reviewed and updated. Those include the general safety standards ISO 5149 and ASHRAE 15, and the equipment standards IEC and UL. The standards systematically set the allowable maximum amount of refrigerant that should be used in different equipment types and different applications. To do so, they rely on predictions of how a leaked refrigerant mass will disperse into a space. Dispersion characteristics, such as total flammable volume and its residence time, determine the risk associated with the presence of the flammable refrigerant. The standards have included provisions for the use of flammable refrigerants for approximately two decades. They relied on limited analytical analyses and test cases in their development. Dispersion of a refrigerant into a space is complex. Computational fluid dynamics (CFD) are the most accurate in predicting a given problem. However, CFD is computationally expensive and requires specialized expertise and resources and is not suitable for use by standards development working group as prediction tool. This paper presents the development of a reduced order model (ROM) that predicts the key dispersion characteristics relevant to the dispersion of a leaked refrigerant into a space for any combination of input variables. The inputs are the refrigerant release height, the total released refrigerant mass and its release flow rate, the refrigerant molecular weight, the ventilation flow rate, the floor area and height of the space, recirculation air flow rate, and the tightness of the space. The outputs are histograms of volume fraction of the room in prescribed concentration bins and the total mass of the refrigerant in each bin normalized by the total refrigerant charge at 13 prescribed simulation time stamps between 1 and 900 seconds. The ROM is constructed from a set of CFD simulations with carefully chosen combinations of input parameters. The selection if done using a multidimensional sparse grid which is a generalization of the classical tensor approach but offers additional flexibility and thus can be more carefully tuned towards a specific model. The tuning is done to improve the accuracy, measured in the difference between the output values of the ROM and the CFD model, while minimizing the computational cost, measured in number of CFD simulations which is orders of magnitude more expensive than the processing the training data.

Edwards, Dean↗
DOE OSTI2024

Mineral and fluid transformation of hydraulically fractured shale: case study of Caney Shale in Southern Oklahoma

This study explores the geochemical reactions that can cause permeability loss in hydraulically fractured reservoirs. The experiments involved the reaction of powdered-rock samples with produced brines in batch reactor system at temperature of 95 °C and atmospheric pressure for 7-days and 30-days respectively. Results show changes in mineralogy and chemistry of rock and fluid samples respectively, therefore confirming chemical reactions between the two during the experiments. The mineralogical changes of the rock included decreases of pyrite and feldspar content, whilst carbonate and illite content showed an initial stability and increase respectively before decreasing. Results from analyses of post-reaction fluids generally corroborate the results obtained from mineralogical analyses. Integrating the results obtained from both rocks and fluids reveal a complex trend of reactions between rock and fluid samples which is summarized as follows. Dissolution of pyrite by oxygenated fluid causes transient and localized acidity which triggers the dissolution of feldspar, carbonates, and other minerals susceptible to dissolution under acidic conditions. The dissolution of minerals releases high concentrations of ions, some of which subsequently precipitate secondary minerals. On the field scale, the formation of secondary minerals in the pores and flow paths of hydrocarbons can cause significant reduction in the permeability of the reservoir, which will culminate in rapid productivity decline. This study provides an understanding of the geochemical rock–fluid reactions that impact long term permeability of shale reservoirs.

58 GEOSCIENCES↗
DOE OSTI2022

Observing flow of He II with unsupervised machine learning

Abstract Time dependent observations of point-to-point correlations of the velocity vector field (structure functions) are necessary to model and understand fluid flow around complex objects. Using thermal gradients, we observed fluid flow by recording fluorescence of $${\text{He}}_{2}^{*}$$ He 2 ∗ excimers produced by neutron capture throughout a ~ cm 3 volume. Because the photon emitted by an excited excimer is unlikely to be recorded by the camera, the techniques of particle tracking (PTV) and particle imaging (PIV) velocimetry cannot be applied to extract information from the fluorescence of individual excimers. Therefore, we applied an unsupervised machine learning algorithm to identify light from ensembles of excimers (clusters) and then tracked the centroids of the clusters using a particle displacement determination algorithm developed for PTV.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Transport of polymer-coated metal–organic framework nanoparticles in porous media

Abstract Injecting fluids into deep underground geologic structures is a critical component to development of long-term strategies for managing greenhouse gas emissions and facilitating energy extraction operations. Recently, we reported that metal–organic frameworks are low-frequency, absorptive-acoustic metamaterial that may be injected into the subsurface to enhance geophysical monitoring tools used to track fluids and map complex structures. A key requirement for this nanotechnology deployment is transportability through porous geologic media without being retained by mineral-fluid interfaces. We used flow-through column studies to estimate transport and retention properties of five different polymer-coated MIL-101(Cr) nanoparticles (NP) in siliceous porous media. When negatively charged polystyrene sulfonate coated nanoparticles (NP-PSS-70K) were transported in 1 M NaCl, only about 8.4% of nanoparticles were retained in the column. Nanoparticles coated with polyethylenimine (NP-PD1) exhibited significant retention (> 50%), emphasizing the importance of complex nanoparticle-fluid-rock interactions for successful use of nanofluid technologies in the subsurface. Nanoparticle transport experiments revealed that nanoparticle surface characteristics play a critical role in nanoparticle colloidal stability and as well the transport.

58 GEOSCIENCES↗
DOE OSTI2021

Rheological investigation of effect of high temperature on geothermal drilling fluids additives and lost circulation materials

High temperatures (HT) and the corrosive environment make the design of a geothermal drilling fluid a highly complex task. The presence of HT exacerbates the problems due to thermal degradation. Geothermal aquifers usually combine high-temperature and complex chemistry, making them highly corrosive. Although geothermal drilling fluids are exposed to thermal degradation, research of the effect on mud rheological properties in temperatures near or above 149°C (300°F) is limited. In this study, a High Pressure-High Temperature (HPHT) rheology setup was used to measure drilling fluids' properties up to 204.4°C (400°F). Rheological behavior of viscosity, density, lost circulation, and alkalinity control additives were analyzed at HT. It was found experimentally that Bentonite alone is thermally stable at HT. In contrast, Caustic Soda showed a tendency to gelate at temperatures above 93.3°C (200°F), adversely affecting mud rheology. Alkalinity control materials to replace Caustic Soda were evaluated. Among them, Lime presented the best thermal stability at 204.4°C with a range of variation of 0.0024 Pa.s (2.4 cP) on apparent viscosity after three consecutive tests. Besides, it was tested 11 different lost circulation materials (LCM) for understanding their rheological behavior at HT. Further, it was found that HT has less impact on fine granular materials rheological behavior with an average increase of 17.7% compared with the baseline. In contrast, flaky, fibrous, and coarse granular materials presented a more apparent impact in WBM rheology with a deviation of 166% compared with the baseline.

15 GEOTHERMAL ENERGY↗
DOE OSTI2024

Numerical investigation of multiphase flow through self-affine rough fractures

Multiphase flow through fractures has great significance in subsurface energy recovery and gas storage applications. Different fracture and flow properties affect flow through a fracture which is difficult to control in laboratory experiments. Here, we perform lattice Boltzmann simulations in an ensemble of synthetically generated fractures. Drainage simulations are performed at different capillary numbers, wettability, and viscosity ratios. We track the invading front and quantify breakthrough saturations and show that roughness and wettability have a strong effect on fluid invasion through a complex fracture. Invading a more viscous fluid results in more stable displacement regardless of the capillary number while at very low capillary numbers, fluid migration is dependent on the inherent structure of the fracture. We develop a fluid displacement phase diagram in a single rough fracture and compare our results from that in the literature. Finally, we extend the phase diagrams across multiple fractures and demonstrate the importance of natural fracture features of roughness and wettability in identifying stable versus unstable displacement regimes during multiphase flow through rough fractures. Our work presents an end-to-end numerical pathway for testing on experimental data and expanding numerical data sets for testing combinations of different physical phenomenon and make valuable predictions on fluid flow through rough fractures.

02 PETROLEUM↗
DOE OSTI2022

CFD simulations of electric motor end ring cooling for improved thermal management

Proper thermal management of an electric motor for vehicle applications extends its operating range. One cooling approach is to impinge Automatic Transmission Fluid (ATF) onto the rotor end ring. Increased ATF coverage correlates to enhanced heat transfer. Computational Fluid Dynamics (CFD) analytical tools provide a mechanism to assess motor thermal management prior to hardware fabrication. The complexity of the fluid flow (e.g., jet atomization, interface tracking, wall impingement) and heat transfer makes these simulations challenging. Computational costs are high when solving these flows on high-speed rotating meshes. Typically, a Volume-of Fluid (VOF) technique (i.e., two-fluid system) is used to resolve ATF dynamics within this rotating framework. Suitable numerical resolution of the relevant physics for thin films under strong inertial forces at high rotor speeds is computationally expensive, further increasing the run times. In this work, a numerical study of rotor-ring cooling by ATF is presented using a patent automated Cartesian cut-cell based method coupled with Automatic Mesh Refinement (AMR). This approach automatically creates the Cartesian mesh on-the-fly and can effectively handle complex rotating geometries by adaptively refining the mesh based on local gradients in the flow field which results in better resolution of the air-ATF interface. A Single non-inertial Reference Frame (SRF) approach is used to account for the rotating geometry and to further improve the overall computational efficiency. Quasi-steady state conditions are targeted in the analysis of the results. Important physics such as ATF jet structure, velocity detail near the air-jet interface, ATF coverage/accumulation on the ring surface, and cooling capacity are presented for a low-resolution Reynolds averaged Navier-Stokes (RANS), high-resolution RANS, and high-resolution Large-Eddy Simulation (LES) models. Computations are scaled over hundreds of cores on a supercomputer to maximize turnaround time. Each numerical approach is shown to capture the general trajectory of the oil jet prior to surface impingement. The high-resolution LES simulation, however, is superior in capturing small scale details and heat transfer between the free jet and surrounding air.

42 ENGINEERING↗
DOE OSTI2022

Voronoi Meshing to Accurately Capture Geological Structure in Subsurface Simulations

Mesh generation lies at the interface of geological modeling and reservoir simulation. Highly skewed or very small grid cells may be necessary to accurately capture the geometry of geological features, but the resulting poorly scaled or small grid cells can have a substantial negative impact on simulator accuracy and speed. One way to minimize numerical errors caused by gridding complex structures is to simulate on high-quality Voronoi meshes, which reduce grid orientation effects in fluid flow. This work presents a complete methodology to create Voronoi simulation grids, model fluid flow in complex geological systems, and visualize the results. A recently developed Voronoi meshing method that can automatically generate provably good unstructured meshes that conform to input surfaces creating closed volumes is used. Initially an analytical benchmark simulation is presented to validate the quality of the meshes and simulation results and demonstrate the superiority of simulation results using Voronoi meshes over flexed-hexahedral meshes on a domain with internal features. Next, meshes are created for test structures representing four of the most common geological features in the subsurface: layering, pinch-out, an interior lens that tapers to zero thickness on all sides and a fault with offset. Two benchmark flow simulations are run for each test structure. Finally, a realistic geological example for CO 2 injection into an anticline is simulated. Three realizations of the Voronoi mesh at the same resolution are generated for the simulations. Each mesh is highly refined near the injection wells and coarse in areas of less interest. These three meshes are used to model the CO 2 plume in the subsurface as it migrates to the top of the structure and then fills downward. Simulations on the meshes with randomly generated elements inside the input volumes each give slightly different fingering patterns for the viscous-unstable buoyant gas flow. The results presented in this work show a promising step towards utilizing fully automated Voronoi meshing for subsurface flow simulations in complex geology.

58 GEOSCIENCES↗
DOE OSTI2025

Numerical assessment of triply periodic minimal surfaces for direct air capture of carbon dioxide

Direct air capture (DAC) systems often consist of packing material wetted by a capture fluid that reacts with CO 2 in the airstream. The efficiency of the contactor is determined by a complex relationship of fluid dynamics, heat and mass transfer, contactor geometry, and chemical properties. The efficiency of the contactor must be balanced with other factors, primarily pressure drop through the system. Triply periodic minimal surfaces (TPMS) are a class of differential surfaces that have been explored in multiple engineering applications and have been shown to exhibit excellent performance when used in heat exchangers. Their tortuous path provides a high surface-to-volume ratio and favorable trade-off between contact area and pressure drop. In this work, a gyroid-type TPMS contactor was evaluated using computational fluid dynamics for a variety of geometric parameters to explore the potential benefit of TPMS shapes for DAC applications. A thin-film model was employed to model the flow and distribution of the capture solvent, allowing efficient simulations of TPMS structures at scale by eliminating the need for a computationally intensive interface capturing method. A liquid-gas mass transfer model was implemented in the commercial software STAR-CCM+ and used to predict the CO 2 capture efficiency and study the trade-off between capture performance and pressure drop through analysis of capture rates, mass transfer coefficients, and other relevant variables. TPMS contactors with a variety of geometric parameters and two capture solvent options were investigated to determine the effect of design choices on the operational performance of DAC systems. In conclusion, results showed that while contactor geometry is the dominant factor in efficiency and pressure drop, the physiochemical properties of the solvent are an important secondary influence on the contactor performance.

CFD↗