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DOE OSTI2022

Building a testable shear viscosity across the QCD phase diagram

Current experiments at the Relativistic Heavy Ion Collider (RHIC) are probing finite baryon densities where the shear viscosity to enthalpy ratio ηT/w of the Quark Gluon Plasma remains unknown. Here we use the Hadron Resonance Gas (HRG) model with the most up-to-date hadron list to calculate ηT/w at low temperatures and at finite baryon densities ρ B . We then match ηT/w to a QCD-based shear viscosity calculation within the deconfined phase to create a table across {T,μ B } for different cross-over and critical point scenarios at a specified location. We find that these new ηT/w(T,μ B ) values would require initial conditions at significantly larger ρB, compared to ideal hydrodynamic trajectories, in order to reach the same freeze-out point.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2017

Strength and viscosity effects on perturbed shock front stability in metals

Here, computational modeling and experimental measurements on metal samples subject to a laser-driven, ablative Richtmyer-Meshkov instability showed differences between viscosity and strength effects. In particular, numerical and analytical solutions, coupled with measurements of fed-through perturbations, generated by perturbed shock fronts onto initially flat surfaces, show promise as a validation method for models of deviatoric response in the post shocked material. Analysis shows that measurements of shock perturbation amplitudes at low sample thickness-to-wavelength ratios are not enough to differentiate between strength and viscosity effects, but that surface displacement data of the fed-through fed-thru perturbations appears to resolve the ambiguity. Additionally, analytical and numerical results show shock front perturbation evolution dependence on initial perturbation amplitude and wavelength is significantly different in viscous and materials with strength, suggesting simple experimental geometry changes should provide data supporting one model or the other.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Theoretical Approach for the Fast Estimation of the Turbulent Kinematic Viscosity for Internal Flows

An analytical expression for turbulent kinematic viscosity (νt), based solely on the hydraulic Reynolds number (Re), was derived and evaluated. The analytical expression is valid for the fast estimation of νt for internal, isotropic, fully developed flows. The expression was compared with experimental and simulation data for air, water, and liquid sodium, and was shown to provide reasonable values for 2100 ≤ Re ≤ 3.6 × 106 and Prandtl number (Pr) range of 0.0107 ≤ Pr ≤ 5.65. In addition, new expressions suitable for the central portion of internal flows, away from the wall, were derived for the turbulent Reynolds number (ReT), showing its relationship to Re, as well as to the ratio of νt and the molecular kinematic viscosity (ν).

42 ENGINEERING↗

DOE OSTI2015

Kinematic dust viscosity effect on linear and nonlinear dust-acoustic waves in space dusty plasmas with nonthermal ions

Linear and nonlinear dust-acoustic (DA) waves are studied in a collisionless, unmagnetized and dissipative dusty plasma consisting of negatively charged dust grains, Boltzmann-distributed electrons, and nonthermal ions. The normal mode analysis is used to obtain a linear dispersion relation illustrating the dependence of the wave damping rate on the carrier wave number, the dust viscosity coefficient, the ratio of the ion temperature to the electron temperatures, and the nonthermal parameter. The plasma system is analyzed nonlinearly via the reductive perturbation method that gives the KdV-Burgers equation. Some interesting physical solutions are obtained to study the nonlinear waves. These solutions are related to soliton, a combination between a shock and a soliton, and monotonic and oscillatory shock waves. Their behaviors are illustrated and shown graphically. The characteristics of the DA solitary and shock waves are significantly modified by the presence of nonthermal (fast) ions, the ratio of the ion temperature to the electron temperature, and the dust kinematic viscosity. The topology of the phase portrait and the potential diagram of the KdV-Burgers equation is illustrated, whose advantage is the ability to predict different classes of traveling wave solutions according to different phase orbits. The energy of the soliton wave and the electric field are calculated. The results in this paper can be generalized to analyze the nature of plasma waves in both space and laboratory plasma systems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Lost Circulation Materials in Geothermal Drilling: Thermal Degradation, Viscosity, Compression, and Flow Loop Tests

This dataset provides a set of experimental data on the performance of lost circulation materials (LCMs) used in geothermal drilling operations. It includes results from four distinct tests: thermal degradation, viscosity measurements, compression tests, and high-temperature flow loop experiments. The materials tested, such as cedar fiber, cotton seed hulls, magma fiber, microcellulose, and sawdust, were analyzed under a range of conditions to assess their effectiveness in mitigating fluid losses in geothermal wells. Data on thermal degradation explores mass loss, water loss, and gas release for each material when subjected to temperatures between 90C and 250C. Viscosity measurements capture the behavior of LCM mixtures under different temperatures, while compression tests investigate the structural integrity of both undegraded and thermally degraded materials. The high-temperature flow loop experiments simulate geothermal well conditions, analyzing how different materials and mixtures affect fluid flow and sealing performance in a fractured reservoir environment. In addition to the experimental data, the dataset includes photos documenting the materials, schematics of test setups, and several published manuscripts that provide detailed insights into the experimental methods and findings.

15 GEOTHERMAL ENERGY↗

DOE OSTI2021

Viscosity Analysis of Battery Electrode Slurry

We report the effects of component ratios and mixing time on electrode slurry viscosity. Three component quantities were varied: active material (graphite), conductive material (carbon black), and polymer binder (carboxymethyl cellulose, CMC). The slurries demonstrated shear-thinning behavior, and suspension properties stabilized after a relatively short mixing duration. However, micrographs of the slurries suggested their internal structures did not stabilize after the same mixing time. Increasing the content of polymer binder CMC caused the greatest viscosity increase compared to that of carbon black and graphite.

25 ENERGY STORAGE↗

DOE OSTI2017

Screening for High Conductivity/Low Viscosity Ionic Liquids Using Product Descriptors

We seek to optimize Ionic liquids (ILs) for application to redox flow batteries. As part of this effort, we have developed a computational method for suggesting ILs with high conductivity and low viscosity. Since ILs consist of cation-anion pairs, we consider a method for treating ILs as pairs using product descriptors for QSPRs, a concept borrowed from the prediction of protein-protein interactions in bioinformatics. We demonstrate the method by predicting electrical conductivity, viscosity, and melting point on a dataset taken from the ILThermo database on June 18th, 2014. The dataset consists of 4,329 measurements taken from 165 ILs made up of 72 cations and 34 anions. In conclusion, we benchmark our QSPRs on the known values in the dataset then extend our predictions to screen all 2,448 possible cation-anion pairs in the dataset.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2018

QCD shear viscosity at (almost) NLO

We compute the shear viscosity of QCD with matter, including almost all next-to-leading order corrections — that is, corrections suppressed by one power of g relative to leading order. We argue that the still missing terms are small. The next-to-leading order corrections are large and bring η/s down by more than a factor of 3 at physically relevant couplings. The perturbative expansion is problematic even at T ≃ 100 GeV. The largest next-to-leading order correction to η/s arises from modifications to the qˆ parameter, which determines the rate of transverse momentum diffusion. We also explore quark number diffusion, and shear viscosity in pure-glue QCD and in QED.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Effective theories for a nonrelativistic field in an expanding universe: Induced self-interaction, pressure, sound speed, and viscosity

A massive, nonrelativistic scalar field in an expanding spacetime is usually approximated by a pressureless perfect fluid, which leads to the standard conclusion that such a field can play the role of cold dark matter. In this paper, we systematically study these approximations, incorporating subleading corrections. We provide two equivalent effective descriptions of the system, each of which offers its own advantages and insights: (i) A nonrelativistic effective field theory (EFT) with which we show that the relativistic corrections induce an effective self-interaction for the nonrelativistic field. As a byproduct, our EFT also allows one to construct the exact solution, including oscillatory behavior, which is often difficult to achieve from the exact equations. (ii) An effective (imperfect) fluid description, with which we demonstrate that, for a perturbed Friedmann-Lemaître- Robertson-Walker (FLRW) universe: (a) The pressure is small but nonzero (and positive), even for a free theory with no tree-level self-interactions. (b) The sound speed of small fluctuations is also nonzero (and positive), reproducing already known leading-order results, correcting a subdominant term, and identifying a new contribution that had been omitted in previous analyses. (c) The fluctuations experience a negative effective bulk viscosity. The positive sound speed and the negative bulk viscosity act in favor of and against the growth of overdensities, respectively. The net effect may be considered a smoking gun for ultra-light dark matter.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2019

Experimental and theoretical investigations on the adherent behaviors of high viscosity liquid: The effect of surface topography

Wetting test and classical molecular dynamics (MD) simulations were employed to investigate the adherent behaviors of hydroxyl-terminated polybutadiene (HTPB), a typical high viscosity liquid widely used as a binder in rocket motor propellants, onto the copper (Cu) surfaces with different topographies. Experimental data show that the microstructures protruding above the substrate surfaces can be ‘sensed’ by the HTPB droplet, which has been indicated by the smaller contact angles and higher interface tension for this specific liquid on the rough surfaces (featured with sinusoidal structures or square pillars) than that on the smooth surface. Simulation results reveal the atomic details of spreading process of HTPB chains, with diverse diffusion propensities presented on different surfaces. The HTPB droplet spreads widely on the smooth surface, exhibiting a roughly isotropic trend. On the contrary, the state of this high viscosity liquid on the sinusoidal-structured surface is featured by wide contact diffusion along the run of groove, but relatively restricted extension in the direction perpendicular to the groove, as a result of the barriers exerted by the nearest neighbouring peaks. The existence of nanoscale pillars increases the exterior surface area of Cu substrate, therefore the HTPB chains can penetrate deep to envelop the peripheries of the pillars, forming abundant direct contacts with Cu surface and producing a highest HTPB–Cu interaction energy, which well accords with the experimental results about the adherent strength of HTPB.

Wu, Chunya↗

DOE OSTI2018

Effects of fuel viscosity on the primary breakup dynamics of a high-speed liquid jet with comparison to X-ray radiography

One of the major concerns in combustion engines is the sensitivity of engine performance to fuel prop- erties. Recent works have shown that even slight differences in fuel properties can cause significant changes in performance and emission of an engine. In order to design the combustion engines with multi-fuel flexi- bilities, the precise assessment of fuel sensitivity on liquid jet atomization process is a prerequisite since the resulting fuel/air mixture is critical to the subsequent combustion process. The present study is focusing on the effect of physical fuel properties, mostly viscosity difference, on the breakup process of the liquid jet injected into still air. Two different jet fuels, CAT-A2 and CAT-C3, are considered here as surrogates for a fossil-based fuel and a bio-derived high-viscosity alternative fuel. The simulations are performed using the volume-of-fluid (VoF) interface tracking method coupled to Lagrangian particle method in order to capture the breakup instabilities of jets and the resulting droplets. The investigations take the actual geometry of the injector into account to resolve the unsteady flow phenomena inside the nozzle that impact the turbu- lence transition and atomization. The simulation results are compared to the experimental measurement using X-ray radiography. Both simulation and X-ray measurements consistently describe the effects of different fuels on the fundamental properties of atomization including the breakup length, transverse liquid volume fraction and the droplet sauter-mean-diameter. The application of a Detailed Numerical Simulation approach complemented by unique X-ray diagnostics is novel and providing new understanding and research directions in engine spray dynamics

Breakup instability↗

DOE OSTI2020

Oil miscible phosphonium-phosphate ionic liquid as novel antiwear and antipitting additive for low-viscosity rear axle lubricants

Here we explored the feasibility of using a phosphonium phosphate ionic liquid as a candidate anti-wear and anti-pitting additive for rear axle lubricant. This particular IL was first added to a VHVI8 base oil at 2–3% concentration and demonstrated effective surface protection for wear and micro-cracking under rolling-sliding contacts. The promising results directed to a step further to produce a series of IL-containing low-viscosity (about a half of SAE 75W-90) fully formulated gear oils. Selected IL-containing experimental oils showed superior mitigation of rolling contact fatigue to a commercial SAE 75W-90 gear oil in bench-scale rolling-sliding tests. Full-scale hub dynamometer tests were then conducted and demonstrated more than 3% power output and torque generation for an IL-containing low-viscosity gear oil benchmarked against commercial baselines.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Interfacial Assembly and Jamming of Polyelectrolyte Surfactants: A Simple Route To Print Liquids in Low-Viscosity Solution

Nanoparticle surfactants (NPSs) assembled at the oil-water interface can significantly lower the interfacial tension and be used to structure liquids. However, to realize the three-dimensional printing of one liquid in another, high-viscosity liquids, for example, silicone oil, have been generally used. In this work, we present a simple, low-cost approach to print water in low-viscosity toluene by using a new type of polyelectrolyte surfactant, sodium carboxymethyl cellulose surfactant (CMCS), that forms and assembles at the oil-water interface. The interfacial activity of CMCSs can be enhanced by tuning parameters, such as pH and concentration, and the incorporation of a rigid ligand affords excellent mechanical strength to the resultant assemblies. With CMCS jammed at the interface, liquids can be easily printed or molded to the desired shapes, with biocompatible walls that can be used to encapsulate and adsorb active materials. This study opens a new pathway to generate complex, all-liquid devices with a myriad of potential applications in biology, catalysis, and chemical separation.

36 MATERIALS SCIENCE↗

DOE OSTI2023

MoVN-Cu Coatings for In Situ Tribocatalytic Formation of Carbon-Rich Tribofilms in Low-Viscosity Fuels

Inhibiting the tribological failure of mechanical assemblies which rely on fuels for lubrication is an obstacle to maintaining the lifetime of these systems with low-viscosity and low-lubricity fuels. Here in the present study, a MoVN-Cu nanocomposite coating was tribologically evaluated for durability in high- and low-viscosity fuels as a function of temperature, load, and sliding velocity conditions. The results indicate that the MoVN-Cu coating is effective in decreasing wear and friction relative to an uncoated steel surface. Raman spectroscopy, transmission electron microscopy, and electron-dispersive spectroscopy analysis of the MoVN-Cu worn surfaces confirmed the presence of an amorphous carbon-rich tribofilm which provides easy shearing and low friction during sliding. Further, the characterization of the formed tribofilm revealed the presence of nanoscale copper clusters overlapping with the carbon peak intensities supporting the tribocatalytic origin of the surface protection. The tribological assessment of the MoVN-Cu coating reveals that the coefficient of friction decreased with increasing material wear and initial contact pressure. These findings suggest that MoVN-Cu is a promising protective coating for fuel-lubricated assemblies due to its adaptive ability to replenish lubricious tribofilms from hydrocarbon environments.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Mechanistic Insights into Dye-Decolorizing Peroxidase Revealed by Solvent Isotope and Viscosity Effects

Dye-decolorizing peroxidases (DyPs) are a family of H 2 O 2 -dependent heme peroxidases that have shown potential applications in lignin degradation and valorization. However, the DyP kinetic mechanism remains underexplored. Using structural biology and solvent isotope (sKIE) and viscosity effects, many mechanistic characteristics have been determined for the B-class ElDyP from Enterobacter lignolyticus. Its structure revealed that a water molecule acts as the sixth axial ligand and two channels at diameters of ~3.0 and 8.0 Å lead to the heme center. A conformational change of ERS* to ERS, which have identical spectral characteristics, was proposed as the final step in DyPs’ bisubstrate Ping-Pong mechanism. This step is also the rate-determining step in ABTS oxidation. The normal KIE of wild-type ElDyP with D 2 O 2 at pD 3.5 suggested that compound 0 deprotonation by the distal aspartate is rate-limiting in the formation of compound I, which is more reactive under acidic pH than under neutral or alkaline pH. The viscosity effects and other biochemical methods implied that the reducing substrate binds with compound I instead of the free enzyme. The significant inverse sKIEs of k cat /K M and k ERS* suggested that the aquo release in ElDyP is mechanistically important and may explain the enzyme’s adoption of two-electron reduction for compound I. The distal aspartate is catalytically more important than the distal arginine and plays key roles in determining ElDyP’s optimum acidic pH. The kinetic mechanism of D143H-ElDyP was also briefly studied. The results obtained will pave the way for future protein engineering to improve DyPs’ lignolytic activity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Dynamic Rupture Simulations of Caldera Collapse Earthquakes: Effects of Wave Radiation, Magma Viscosity, and Evidence of Complex Nucleation at Kilauea 2018

All instrumented basaltic caldera collapses have generated M w > 5 very long period earthquakes. However, previous studies of source dynamics have been limited to lumped models treating the caldera block as rigid, leaving open questions related to how ruptures initiate and propagate around the ring fault, and the seismic expressions of those dynamics. Here, we present the first 3D numerical model capturing the nucleation and propagation of ring fault rupture, the mechanical coupling to the underlying viscoelastic magma, and the associated seismic wavefield. We demonstrate that seismic radiation, neglected in previous models, acts as a damping mechanism reducing coseismic slip by up to half, with effects most pronounced for large magma chamber volume/ring fault radius or highly compliant crust/compressible magma. Viscosity of basaltic magma has negligible effect on collapse dynamics. In contrast, viscosity of silicic magma significantly reduces ring fault slip. We use the model to simulate the 2018 Kilauea caldera collapse. Three stages of collapse, characterized by ring fault rupture initiation and propagation, deceleration of the downward-moving caldera block and magma column, and post-collapse resonant oscillations, in addition to chamber pressurization, are identified in simulated and observed (unfiltered) near-field seismograms. A detailed comparison of simulated and observed displacement waveforms corresponding to collapse earthquakes with hypocenters at various azimuths of the ring fault reveals a complex nucleation phase for earthquakes initiated on the northwest. Our numerical simulation framework will enhance future efforts to reconcile seismic and geodetic observations of caldera collapse with conceptual models of ring fault and magma chamber dynamics.

58 GEOSCIENCES↗

DOE OSTI2024

Viscosity Measurements at High Pressures: A Critical Appraisal of Corrections to Stokes' Law

Abstract Fluids and melts in planetary interiors significantly influence geodynamic processes from volcanism to global‐scale differentiation. The roles of these geofluids depend on their viscosities ( η ). Constraining geofluid η at relevant pressures and temperatures relies on laboratory‐based measurements and is most widely done using Stokes' Law viscometry with falling spheres. Yet small sample chambers required by high‐pressure experiments introduce significant drag on the spheres. Several correction schemes are available for Stokes' Law but there is no consensus on the best scheme(s) for high‐pressure experiments. We completed high‐pressure experiments to test the effects of (a) the relative size of the sphere diameter to the chamber diameter and (b) the top and bottom of the chamber, that is, the ends, on the sphere velocities. We examined the influence of current correction schemes on the estimated viscosity using Monte Carlo simulations. We also compared previous viscometry work on various geofluids in different experimental setups/geometries. We find the common schemes for Stokes' Law produce statistically distinct values of η . When inertia of the sphere is negligible, the most appropriate scheme may be the Faxén correction for the chamber walls. Correction for drag due to the chamber ends depends on the precision in the sinking distance and may be ineffective with decreasing sphere size. Combining the wall and end corrections may overcorrect η . We also suggest the uncertainty in η is best captured by the correction rather than propagated errors from experimental parameters. We develop an overlying view of Stokes' Law viscometry at high pressures.

Geochemistry & Geophysics↗

DOE OSTI2022

Viscosity in water from first-principles and deep-neural-network simulations

Abstract We report on an extensive study of the viscosity of liquid water at near-ambient conditions, performed within the Green-Kubo theory of linear response and equilibrium ab initio molecular dynamics (AIMD), based on density-functional theory (DFT). In order to cope with the long simulation times necessary to achieve an acceptable statistical accuracy, our ab initio approach is enhanced with deep-neural-network potentials (NNP). This approach is first validated against AIMD results, obtained by using the Perdew–Burke–Ernzerhof (PBE) exchange-correlation functional and paying careful attention to crucial, yet often overlooked, aspects of the statistical data analysis. Then, we train a second NNP to a dataset generated from the Strongly Constrained and Appropriately Normed (SCAN) functional. Once the error resulting from the imperfect prediction of the melting line is offset by referring the simulated temperature to the theoretical melting one, our SCAN predictions of the shear viscosity of water are in very good agreement with experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗