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DOE OSTI2024

Combined Machine Learning and Molecular Dynamics Reveal Two States of Hydration of a Single Functional Group of Cationic Polymeric Brushes

The state of hydration of a macromolecular system regulates a plethora of different properties of such a system. In this article, we develop a novel machine learning (ML) approach, based on the unsupervised clustering algorithm, for probing the hydration behavior of the {N(CH 3 ) 3 } + functional group of the PMETAC [Poly(2-(methacryloyloxy)ethyl trimethylammonium chloride] polyelectrolyte (PE) brush system. The PE brushes and the brush-supported water molecules and counterions (chloride ions) are first described using all-atom molecular dynamics (MD) simulations. The simulation data is subsequently used in our ML framework to identify that (1) the {N(CH 3 ) 3 } + functional groups of the PMETAC brushes have two distinct hydration states with one state (state 1) being characterized by less structured water molecules and the other state (state 2) being characterized by more structured water molecules and (2) an enhancement in the brush grafting density leads to the progressive dissapparenace of state 2. An increase in the grafting density increases the number of chloride counterions in a given volume around the {N(CH 3 ) 3 } + functional group and increases the number of shared water molecules between the {N(CH 3 ) 3 } + and Cl - . The chloride counterions are associated with a hydration layer with much less structured water molecules. Therefore, with an increase in the grafting density, an increase in the percentage of shared water molecules leads to the prevalence of the hydration state [of the {N(CH 3 ) 3 } + moiety] with less structured water molecules. Finally, we explain how the present findings are commensurate with two key previous related results, namely a significantly large chloride ion mobility inside the PMETAC brush layer and the {N(CH 3 ) 3 } + -Cl - average distance remaining independent of the PMETAC brush grafting density. Furthermore, we anticipate that the combined ML-MD-simulation approach proposed in this study can be adapted to probe other soft matter systems to reveal new insights of the underlying mechanisms of emergent phenomenon.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1994

Design optimization of a brush turbine with a cleaner/water based solution

Recently, a fluid turbine which has a brush attached to it has been designed and tested with water as fluid. The purpose of the turbine-brush is to clean up fouling in a tube. The Montreal Protocol prohibits the use of CFC products from refrigeration industry or from industry in general as a cleanser in 1996. Alternatives for the cleansers, devices or a combination of alternative devices with a cleanser should be found. One of the methods is to develop a device which cleans fouling with a cleaning medium. In this paper, we describe a turbine connected with a brush. However, the turbine with the brush should be simple and easy to install. This device is a combined small liquid turbine with a brush. The turbine is activated by the liquid flowing through the tube. Then the turbine turns the brush cleaning fouling along the tube. Based on the energy conservation and the Bernoulli equation along with an empirical relationship of drag force obtained from an experimental apparatus, a relationship of the rotational speed, the number of blades, and geometric variables of the turbine-brush was obtained. The predicted rotational speeds were compared with the experimental observations. Further work was recommended for improvements.

Kim, Rhyn H.↗

NASA NTRS2006

Brush Seals for Improved Steam Turbine Performance

GE Energy has retrofitted brush seals into more than 19 operating steam turbines. Brush seals offer superior leakage control compared to labyrinth seals, owing to their compliant nature and ability to maintain very tight clearances to the rotating shaft. Seal designs have been established for steam turbines ranging in size from 12 MW to over 1200 MW, including fossil, nuclear, combined-cycle and industrial applications. Steam turbines present unique design challenges that must be addressed to ensure that the potential performance benefits of brush seals are realized. Brush seals can have important effects on the overall turbine system that must be taken into account to assure reliable operation. Subscale rig tests are instrumental to understanding seal behavior under simulated steam-turbine operating conditions, prior to installing brush seals in the field. This presentation discusses the technical challenges of designing brush seals for steam turbines; subscale testing; performance benefits of brush seals; overall system effects; and field applications.

Turnquist, Norman↗

DOE OSTI2025

Influence of Grafting Density and the Ionic Environment on the Structure of Zwitterionic Brushes

Zwitterionic polymer brushes possess a high potential for applications as surface coatings, e.g., in antifouling applications. Their complex association behavior due to the coexistence of oppositely charged groups on the same monomeric unit allows for a broad variation of polarity, hydrophilicity, and the antipolyelectrolyte effect with the variation of the surrounding environment. In this study, planar polysulfobetaine brushes were investigated with neutron reflectometry (NR) and neutron spin–echo spectroscopy under grazing incidence (GINSES) to explore the brush structure and its inner dynamics perpendicular to the substrate. In particular, the effects of the substrate–initiator system and ionic strength on the structure were investigated with neutron reflectometry and a swelling by a factor of 3–5 was found in the presence of aqueous NaCl and MgCl 2 solutions compared to the dry state. During the data analysis, the applicability of a model-free evaluation was also demonstrated for the investigated polysulfobetaine brushes. Furthermore, it was found with GINSES that in contrast to neutral brushes, these polysulfobetaine brushes do not show the typical concentration fluctuations in the nanosecond time range when partially swollen with salt-free water.

36 MATERIALS SCIENCE↗

NASA NTRS1994

Brush seals for cryogenic applications

This viewgraph presentation presents test results of brush seals for cryogenic applications. Leakage for a single brush seal was two to three times less than for a 12-tooth labyrinth seal. The maximum temperature rise for a single brush seal was less than 50 R and occurred at 25 psid across the seal and 35,000 rpm. A static blowout test demonstrated sealing capability up to 550 psid. The seal limit was not obtained. The power loss for a single brush at 35,000 rpm and 175 psid was 2.45 hp. Two brushes far apart leak less than two brushes tight packed. Rotor wear was approximately 0.00075 mils and bristle wear was 1-3 mils after 4-1/2 hours.

Proctor, Margaret P.↗

NASA NTRS1996

PRDA-2 and 3 Brush Seal Development Programs at EG and G

EG&G Mechanical Components Technology Group R&D completed a Brush Seal Development Program under PRDA-2 in late 1992. We started the Advanced Brush Seal Development program, under PRDA-3, in 1993 and will complete it in 1996. Both programs have been funded by the United States Air Force. In the first program, we made significant gains in the area of tribopairs (bristle materials vs. shaft coatings) and the 'Low Hysteresis' design for brush seals. These were reported in two AIAA Propulsion Conference papers, and the 'Low Hysteresis' design has been patented. Seals were delivered for test in an Air Force demonstrator at Allison. In PRDA-3, goals are to increase the pressure sealing capability, and the surface speeds and temperatures at which brush seals can be used. We have conducted part of the design and testing and have tested brush seals successfully at more severe conditions than in the previous program. We are continuing with the program, and will complete it in time to furnish brush seals for an Air Force Demonstrator test in 1997.

Loewenthal, Robert G.↗

NASA NTRS1944

Determination of the Actual Contact Surface of a Brush Contact

The number of partial contact surfaces of a brush-ring contact is measured by means of a statistical method. The particular brush is fitted with wicks - that is, insulated and cemented cylinders of brush material, terminating in the brush surface. The number of partial contact surfaces can be computed from the length of the rest periods in which such wicks remain without current. Resistance measurements enable the determination of the size of the contact surfaces. The pressure in the actual contact surface of a recently bedded brush is found to be not much lower than the Brinell hardness of the brush.

Holm, Ragnar↗

NASA NTRS2011

Evaluation of Brushing as a Lunar Dust Mitigation Strategy for Thermal Control Surfaces

Evaluation of brushing to remove lunar simulant dust from thermal control surfaces is described. First, strip brushes made with nylon, PTFE, or Thunderon bristles were used to remove JSC-1AF dust from AZ93 thermal control paint or aluminized FEP (AlFEP) thermal control surface under ambient laboratory conditions. Nylon and PTFE bristles removed a promising amount of dust from AZ93, and nylon and Thunderon bristles from AlFEP. But when these were tested under simulated lunar conditions in the lunar dust adhesion bell jar (LDAB), they were not effective. In a third effort, seven brushes made up of three different materials, two different geometries, and different bristle lengths and thicknesses were tested under laboratory conditions against AZ93 and AlFEP. Two of these brushes, the Zephyr fiberglass fingerprint brush and the Escoda nylon fan brush, removed over 90 percent of the dust, and so were tested in the fourth effort in the LDAB. They also performed well under these conditions recovering 80 percent or more of the original thermal performance (solar absorptance/thermal emittance) of both AZ93 and AgFEP after 20 strokes, and 90 or more percent after 200 strokes.

Gaier, James R.↗

NASA NTRS2011

Evaluation of Brushing as a Lunar Dust Mitigation Strategy for Thermal Control Surfaces

Evaluation of brushing to remove lunar simulant dust from thermal control surfaces is described. First, strip brushes made with nylon, PTFE, or Thunderon (Nihon Sanmo Dyeing Company Ltd.) bristles were used to remove JSC-1AF dust from AZ93 thermal control paint or aluminized FEP (AlFEP) thermal control surface under ambient laboratory conditions. Nylon and PTFE bristles removed a promising amount of dust from AZ93, and nylon and Thunderon bristles from AlFEP. But when these were tested under simulated lunar conditions in the lunar dust adhesion bell jar (LDAB), they were not effective. In a third effort, seven brushes made up of three different materials, two different geometries, and different bristle lengths and thicknesses were tested under laboratory conditions against AZ93 and AlFEP. Two of these brushes, the Zephyr fiberglass fingerprint brush and the Escoda nylon fan brush, removed over 90 percent of the dust, and so were tested in the fourth effort in the LDAB. They also performed well under these conditions recovering 80 percent or more of the original thermal performance (solar absorptance/thermal emittance) of both AZ93 and AgFEP after 20 strokes, and 90 or more percent after 200 strokes

Gaier, James R.↗

DOE OSTI2025

Linear Discriminant Analysis-Based Machine Learning and All-Atom Molecular Dynamics Simulations for Probing Electro-Osmotic Transport in Cationic-Polyelectrolyte-Brush-Grafted Nanochannels

Deciphering the correct mechanisms governing certain phenomena in polyelectrolyte (PE) brush grafted systems, revealed through atomistic simulations, is an extremely challenging problem. In a recent study, our all-atom molecular dynamics (MD) simulations revealed a non-linearly large electroosmotic (EOS) flow (in the presence of an applied electric field) in nanochannels grafted with PMETAC [Poly(2-(methacryloyloxy)ethyl trimethylammonium chloride] brushes. Given the lack of any formal procedure that would have directed us to identify the correct factors responsible for such an occurrence, we needed to spend several months and devote significant analyses to unravel the involved mechanisms. In this paper, we propose a Linear Discriminant Analysis (LDA) based Machine Learning (ML) approach to address this gap. At first, we obtain data on certain basic features from the all-atom MD data. These basic features represent the number of atoms of certain species around one atom of another (or same) species. Here, we obtain such data on basic features for a reference case (case of an EOS flow in PMETAC-brush-grafted nanochannels with a smaller electric field) and a perturbed case (case of an EOS flow in PMETAC-brush-grafted nanochannels with a larger electric field) in bins in which the nanochannel half height has been divided into. These datasets are high-dimensional dataset, to which the LDA is applied. This leads to the projection of the data (between the reference and the perturbed states) in a highly separated form on a 1D line. From such LDA calculations, we are able to identify the relative importance of the different basic features in ensuring this separation of the data (between the reference and the perturbed states) on the 1D line. This relative importance of the different basic features is quantified as “importance scores” for the different features, which in turn tell us what to study and where to study. Such knowledge enables us to rapidly identify the key factors responsible for the non-linearly large EOS transport in PMETAC-brush-grafted nanochannels.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1991

Eccentricity effects on leakage of a brush seal at low speeds

The effects of eccentricity on brush seal leakage at low rotational speeds were investigated. Included are the leakage results for ambient temperature air and nearly saturated streams at three different rotor eccentricities at both 0 and 400 rpm. A brush seal with a nominal bore diameter of 13.647 cm. (5.3730 in.) was used. It had a radial concentric interference of 0.071 cm (0.0028 in.) and a fence height of 0.0927 cm (0.0365 in.). There were 1060 bristles per centimeter of circumference (2690 bristles per inch of circumference). Rotor eccentricities of 0.003, 0.010, 0.038, and 0.043 cm (0.001, 0.004, 0.015, and 0.017 in.) were achieved by using bushings with different offsets. The results were compared with an annular seal model (FLOWCAL) for air and to a standard labyrinth seal model for steam. The annular seal model was also compared with a bulk flow model of a concentric brush seal in air. Large eccentricities did not damage the brush seals or their Haynes 25 bristles. However, the 304 stainless steel rotor did not show wear, indicating a harder surface is needed. Only the stream data showed hysteresis and were affected by shaft rotation. The brush seal had lower leakage rates than those predicted for comparable annular and labyrinth seals (conventional) because of the large clearances those seals require to accommodate large shaft excursions.

Schlumberger, Julie A.↗

NASA NTRS1991

Flow visualization and quantitative velocity and pressure measurements in simulated single and double brush seals

A method to visualize and characterize the complex flow fields in simulated single and double brush seals is presented. The brush seal configuration was tested in a gravity fed water tunnel and a pump driven pressurized oil tunnel. Visualization of the flow field revealed regions that are characteristically river jetting, vortical, crossflow and exist upstream, downstream or within the seal. Such flows are especially engendered by variations in fiber void that are spatial and temporal and affect changes in seal leakage and stability. While the effects of interface motion and cylindrical configuration have not been considered herein, it is believed that the observed flow fields and pressure drop patterns characterize flow phenomenology in brush seals. The axial pressure profiles upstream, across and downstream of the brush have been measured under a variety of inlet pressure conditions and the ensuing pressure maps are presented and discussed. Through the application of the Full Flow Field Tracking method developed by the authors, the flow patterns and the accompanying fluid velocities inside the brush were non-intrusively determined and graphically reconstructed.

Braun, M. J.↗

NASA NTRS1994

Turbine-Driven Pipe-Cleaning Brush

Simple pipe-cleaning device includes small turbine wheel axially connected, by standoff, to circular brush. Turbine wheel turns on hub bearing attached to end of upstream cable. Turbine-and-brush assembly inserted in pipe with cable trailing upstream and brush facing downstream. Water or cleaning solution pumped through pipe. Cable held at upstream end, so it holds turbine and brush in pipe at location to be cleaned. Flow in pipe turns turbine, which turns wheel, producing desired cleaning action. In addition to brushing action, device provides even mixing of cleaning solution in pipe.

Werlink, Rudy J.↗

NASA NTRS1995

Design optimization of a brush turbine with a cleaner/water based solution

Recently, a turbine-brush was analyzed based on the energy conservation and the force momentum equation with an empirical relationship of the drag coefficient. An equation was derived to predict the rotational speed of the turbine-brush in terms of the blade angle, number of blades, rest of geometries of the turbine-brush and the incoming velocity. Using the observed flow conditions, drag coefficients were determined. Based on the experimental values as boundary conditions, the turbine-brush flows were numerically simulated to understand first the nature of the flows, and to extend the observed drag coefficient to a flow without holding the turbine-brush.

Kim, Rhyn H.↗

NASA NTRS1997

Bidirectional Brush Seals: Post-Test Analysis

A post-test analysis of a set of inside-diameter/outside-diameter (ID/OD) bidirectional brush seals used in three-port wave rotor tests was undertaken to determine brush bristle and configuration wear, pullout, and rotor coating wear. The results suggest that sharp changes in the pressure profiles were not well reflected in bristle tip configuration patterns or wear. Also, positive-to-negative changes in axial pressure gradients appeared to have little effect on the backing plates. Although the brushes had similar porosities, they had very different unpacked arrays. This difference could explain the departure of experimental data from computational fluid dynamics flow predictions for well-packed arrays at higher pressure drops. The rotor wear led to "car-track" scars (upper and lower wear bands) with a whipped surface between the bands. Those bands may have resulted from bristle stiffening at the fence and gap plates during alternate portions of the rotor cycle. Within the bristle response range the wear surface reflected the pressure distribution effect on bristle motion. No sacrificial metallurgical data were taken. The bristles did wear, with correspondingly more wear on the ID brush configurations than on the OD configurations; the complexity in constructing the ID brush was a factor.

Hendricks, Robert C.↗

NASA NTRS1999

Motor Brush Testing for Mars and Vacuum

Brush motors have been qualified and flown successfully on Mars missions, but upcoming missions require longer life and higher power. A test program was therefore undertaken to identify the best brush material for operation in the Mars atmosphere. Six different brush materials were used in 18 identical motors and operated under various load conditions for a period of four weeks in low-pressure CO2. All motors performed acceptably, with accumulated motor revolutions between 98 and 144 million revolutions, depending on load. A proprietary silver-graphite material from Superior Carbon (SG54-27) appears to be the best choice for long life, but even the stock copper-graphite brushes performed reliably with acceptable wear. The motors from the CO2 test were then cleaned and run in vacuum for 2 weeks. The difference in results was dramatic, with 5 motors failing catastrophically and wear rates increasing by orders of magnitude for the SG54-27 material. Three brush materials survived the test with no failures: SG54-27 with a proprietary Ball Aerospace impregnation, a silver-graphite-molybdenum disulfide material from Superior Carbon (SG59), and a copper sulfide-graphite material also from Superior Carbon (BG91).

Noon, Don E.↗

DOE OSTI2026

Neutron Reflectometry Reveals Diffusion in Contrast-Matched Brush Particle Bilayers

A material system for performing layer-spread experiments on brush particle bilayers is presented and used to determine the diffusion constant of brush particles in the melt state. Selective deuteration of the core and shell of organo-silica nanoparticles grafted with poly(methyl methacrylate) was used to match the scattering length density of the core and the polymer canopy layer. This subdued the scattering of particle cores (i.e., formfactor scattering) and enabled the analysis of the interdiffusion kinetics using neutron reflectivity. For low molecular grafts, i.e., grafts with a molecular weight below the entanglement limit, the interdiffusion kinetics revealed both a sub- and Fickian diffusion regime. The former was attributed to the local dynamics that was constrained by the slow-moving cores of neighboring brush particles that acted as long-lived physical cross-links. No transition to Fickian diffusion was observed for entangled systems, even at prolonged annealing times. This suggested a higher level of kinetic restraint in entangled brush particle melts as compared to, for example, star polymers with a comparable chain length for which Fickian diffusion has been reported under similar conditions.

Diffusion, Polymer Grafted Nanoparticles, Neutron ↗

NASA NTRS1972

Friction, wear and noise of slip ring and brush contacts for synchronous satellite use.

A program is being conducted for testing of slip rings for synchronous orbit application. Instrumentation systems necessary for monitoring electrical noise, friction, and brush wear at atmospheric pressure and at less than 50 ntorr have been developed. A multiplex scheme necessary for the simultaneous recording of brush displacement, friction, and electrical noise has also been developed. Composite brushes consisting of silver-molybdenum disulfide-graphite and silver-niobium diselenide-graphite have been employed on rings of coin silver and rhodium plate. Four contact combinations have been tested during an ambient condition run-in at 150 rpm and a humidity sequence at 0.1 rpm. The first six months of the two year vacuum test at 0.1 rpm have been completed. Electrical noise, friction and brush wear data recorded during these periods have been analyzed.

Lewis, N. E.↗