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DOE OSTI2021

Process model for multilayer slide coating of polymer electrolyte membrane fuel cells

Slide coating is a precision method suitable for depositing multiple liquid-film layers simultaneously. Originally developed in the photographic film industry, it has been deployed for manufacturing of other products that benefit from multilayer coatings. One emerging application is the manufacture of polymer electrolyte membrane fuel cells (PEMFCs), which are used to produce electricity through electrochemical reactions of hydrogen and oxygen gas. The membrane-electrode assembly (MEA), in which key electrochemical reactions occur, consists of three layers that are typically deposited separately in serial fashion and then laminated together to form the three-layer MEA, i.e., three sequential steps of coat and dry. Adapting the process to simultaneous, multilayer slide coating of all three layers will save equipment cost and space while minimizing possible exposure to contaminants during transition between the steps. We are developing a three-layer slide coating model to aid the manufacturing process design of PEMFC. The model accounts for rheology of each layer, which typically exhibit shear thinning behavior. Model predictions are used to investigate simultaneous coatability of catalyst inks and to determine the best layer-by-layer ink selection.

25 ENERGY STORAGE↗

DOE OSTI2023

Development of Microwave Resonant Cavity Transducer Recalibration Procedures

We are investigating a microwave resonant cavity transducer for flow sensing in the vessel of a high temperature fluid advanced reactor (AR), such as a molten salt cooled reactor (MSCR) or a sodium fast reactor (SFR). This transducer is a hollow metallic cylindrical cavity, with one of the flat walls of the cylinder flexible enough to undergo microscopic deflection due to dynamic fluid pressure. Membrane deflection leads to a shift in the microwave resonant frequency, which can be detected with a spectrum analyzer. We have performed a preliminary proof-of-principle test of flow sensing in high temperature liquid sodium in environment. The liquid sodium setup consists of a cylindrical vessel with a center feed line, where a transducer inserted through the top cap of the vessel measures velocity of the impinging liquid jet. For this test, we have developed a cylindrical resonator, which was machined from stainless steel 316 and electroplated with silver on the interior surfaces. Inner diameter of the cylindrical cavity is 22.2 mm, and the thin wall is approximately 200µm thick. The cavity was excited through a WR-42 waveguide through a subwavelength hole on the side of the wall of the cylinder in the TE 011 mode with resonant frequency f ≈ 17.8GHz. Sodium flow rate sensing study was performed in a liquid sodium vessel at 340°C temperature and ambient pressure. The flow rate was changed by varying sodium pump power, and a frequency shift of several hundred KHz was observed. From the measurements, we observed significant scatter in high temperature liquid sodium at low flow velocity values. Our hypothesis is that this is caused by temperature drift in the liquid, which results in thermal expansion of the cavity and a drift in the resonator frequency. In this report, we investigate temperature dependence of the resonant frequency through development of analytic models and preliminary analysis of experimental data. In addition, we develop a procedure for compensation for temperature drift during flow sensing.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1978

The production of ultrathin polyimide films for the solar sail program and Large Space Structures Technology (LSST): A feasibility study

Polyimide membranes of a thickness range from under 0.01 micron m to greater than 1 micron m can be produced at an estimated cost of 50 cents per sq m (plus the cost of the polymer). The polymer of interest is dissolved in a solvent which is solube in water. The polymer or casting solution is allowed to flow down an inclined ramp onto a water surface where a pool of floating polymer develops. The solvent dissolves into the water lowering the surface tension of the water on equently, the contact angle of the polymer pool is very low and the edge of the pool is very thin. The solvent dissolves from this thin region too rapidly to be replenished from the bulk of the pool and a solid polymer film forms. Firm formation is rapid and spontaneous and the film spreads out unaided, many feet from the leading edge of the pool. The driving force for this process is the exothermic solution of the organic solvent from the polymer solution into the water.

Forester, R. H.↗

DOE OSTI2024

In-house synthesized poly(ether ether ketone) ionenes. I. ToF-SIMS spectra in the positive ion mode

Static time-of-flight secondary ion mass spectrometry (ToF-SIMS) was performed for acquiring the high-resolution surface spectra of four types of synthesized imidazolium ionene membranes. These novel membranes have aromatic ether–ketone–ether linkages inspired by poly(ether ether ketone) (PEEK). The PEEK-ionenes synthesized for this study have imidazolium cations placed in the polymeric backbone with bistriflimide [Tf 2 N]- counterions. The attention given to synthetically modified PEEK derivatives, such as PEEK-ionenes, is considerable due to their ability to selectively capture CO 2 molecules and other light gases. Therefore, it is important to characterize the surface of these synthesized novel PEEK-ionenes. In this work, characteristic and unique peaks were identified in the positive spectra of each sample. The differences in mass spectra among the samples provide insights for optimizing or fine-tuning the PEEK-ionenes synthesis to achieve a high-performance CO 2 separation membrane with enhanced permeability, selectivity, and mechanical stability. The SIMS spectra and identified characteristic peaks of these synthesized ionenes will serve as a reference in the positive mode, complementing the corresponding spectra reported in the negative ion mode (Paper II).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2009

Amorphous Silk Fibroin Membranes for Separation of CO2

Amorphous silk fibroin has shown promise as a polymeric material derivable from natural sources for making membranes for use in removing CO2 from mixed-gas streams. For most applications of silk fibroin, for purposes other than gas separation, this material is used in its highly crystalline, nearly natural form because this form has uncommonly high tensile strength. However, the crystalline phase of silk fibroin is impermeable, making it necessary to convert the material to amorphous form to obtain the high permeability needed for gas separation. Accordingly, one aspect of the present development is a process for generating amorphous silk fibroin by treating native silk fibroin in an aqueous methanol/salt solution. The resulting material remains self-standing and can be prepared as thin film suitable for permeation testing. The permeability of this material by pure CO2 has been found to be highly improved, and its mixed-gas permeability has been found to exceed the mixed-gas permeabilities of several ultrahigh-CO2-permeable synthetic polymers. Only one of the synthetic polymers poly(trimethylsilylpropyne) [PTMSP] may be more highly permeable by CO2. PTMSP becomes unstable with time, whereas amorphous silk should not, although at the time of this reporting this has not been conclusively proven.

Aberg, Christopher M.↗

DOE OSTI2024

VitroJet: new features and case studies

Single-particle cryo-electron microscopy has become a widely adopted method in structural biology due to many recent technological advances in microscopes, detectors and image processing. Before being able to inspect a biological sample in an electron microscope, it needs to be deposited in a thin layer on a grid and rapidly frozen. The VitroJet was designed with this aim, as well as avoiding the delicate manual handling and transfer steps that occur during the conventional grid-preparation process. Since its creation, numerous technical developments have resulted in a device that is now widely utilized in multiple laboratories worldwide. It features plasma treatment, low-volume sample deposition through pin printing, optical ice-thickness measurement and cryofixation of pre-clipped Autogrids through jet vitrification. This paper presents recent technical improvements to the VitroJet and the benefits that it brings to the cryo-EM workflow. A wide variety of applications are shown: membrane proteins, nucleosomes, fatty-acid synthase, Tobacco mosaic virus, lipid nanoparticles, tick-borne encephalitis viruses and bacteriophages. These case studies illustrate the advancement of the VitroJet into an instrument that enables accurate control and reproducibility, demonstrating its suitability for time-efficient cryo-EM structure determination.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1990

Mobilifilum chasei: morphology and ecology of a spirochete from an intertidal stratified microbial mat community

Spirochetes were found in the lower anoxiphototrophic layer of a stratified microbial mat (North Pond, Laguna Figueroa, Baja California, Mexico). Ultra-structural analysis of thin sections of field samples revealed spirochetes approximately 0.25 micrometer in diameter with 10 or more periplasmic flagella, leading to the interpretation that these spirochetes bear 10 flagellar insertions on each end. Morphometric study showed these free-living spirochetes greatly resemble certain symbiotic ones, i.e., Borrelia and certain termite spirochetes, the transverse sections of which are presented here. The ultrastructure of this spirochete also resembles Hollandina and Diplocalyx (spirochetes symbiotic in arthropods) more than it does Spirochaeta, the well known genus of mud-dwelling spirochetes. The new spirochete was detected in mat material collected both in 1985 and in 1987. Unique morphology (i.e., conspicuous outer coat of inner membrane, large number of periplasmic flagella) and ecology prompt us to name a new free-living spirochete.

Non-NASA Center↗

DOE OSTI2021

Simultaneously Blocking Chemical Crosstalk and Internal Short Circuit via Gel-Stretching Derived Nanoporous Non-Shrinkage Separator for Safe Lithium-Ion Batteries

The separator, an ionic permeable and electronic insulating membrane between cathode and anode, plays a crucial role in the electrochemical and safety performance of batteries. However, the commercial polyolefin separators not only suffer from inevitable thermal shrinkage at elevated temperature, but also fail to inhibit the hidden chemical crosstalk of reactive gases such as O 2 , leading to often reported thermal runaway (TR) and hence preventing large-scale implementation of high-energy-density lithium-ion batteries. Herein, a nanoporous non-shrinkage separator (GS-PI) was fabricated via a novel gel-stretching orientation approach to eliminate TR. In situ synchrotron small angle X-ray scattering during heating clearly showed that the as-prepared thin GS-PI separator exhibits superior mechanical tolerance at high temperature, thus effectively preventing internal short circuit. Meanwhile, the unique nanoporous structure design further blocks chemical crosstalk and the associated exothermic reactions. Accelerating Rate Calorimetry test revealed that the practical 1 Ah LiNi 0.6 Co 0.2 Mn 0.2 O 2 (NCM622)/graphite pouch cell using GS-PI nanoporous separator show a maximum temperature rise (dT/dt max ) of only 3.7 °C s -1 compared to 131.6 °C s -1 in the case of Al 2 O 3 @PE macroporous separator. Furthermore, despite the reduced pore size, the GS-PI separator demonstrates better cycling stability than conventional Al 2 O 3 @PE separator at high temperature without sacrificing specific capacity and rate capability.

25 ENERGY STORAGE↗

DOE OSTI2022

Polyimide as a durable cathode for all-solid-state Li(Na)–organic batteries with boosted cell-level energy density

The integration of organic electrode materials (OEMs) with solid-state electrolytes (SSEs) is expected to build an all-solid-state battery (ASSB) with long-term sustainability, high safety, and high energy density. Despite this great promise, the cell-level energy density is still far from practically applicable, which stems from the ultrathick SSE layer and thin cathode layer used in a pellet-type ASSB design. Here, a cost-effective polyimide (PI) material was first exploited as an organic cathode for sulfide-based ASSBs. A capacity of ~190 mAh g -1 was delivered with almost no capacity decay over 300 cycles. Moreover, for the first time, a dry-film approach was introduced to manufacture a sheet-type Li–organic ASSB with an ultrathin SSE layer and a high-areal-loading PI cathode. Notably, PI is a perfect candidate for dry-film technology due to its high thermal stability and extraordinary chemical inertness toward sulfide SSEs. Remarkably, the free-standing SSE membrane was merely 46 μm thick, and an ultralow areal resistance of 3.3 Ω cm 2 was achieved, more than tenfold lower than that of reported SSE pellets. One order of magnitude boost in the cell-level energy density was achieved. This work presents a significant leap in transferring organic ASSB technology from laboratory research to factory manufacturing.

25 ENERGY STORAGE↗

NASA NTRS2013

Performance of a Multifunctional Space Evaporator- Absorber-Radiator (SEAR)

The Space Evaporator-Absorber-Radiator (SEAR) is a nonventing thermal control subsystem that combines a Space Water Membrane Evaporator (SWME) with a Lithium Chloride Absorber Radiator (LCAR). The LCAR is a heat pump radiator that absorbs water vapor produced in the SWME. Because of the very low water vapor pressure at equilibrium with lithium chloride solution, the LCAR can absorb water vapor at a temperature considerably higher than the SWME, enabling heat rejection by thermal radiation from a relatively small area radiator. Prior SEAR prototypes used a flexible LCAR that was designed to be installed on the outer surface of a portable life support system (PLSS) backpack. This paper describes a SEAR subsystem that incorporates a very compact LCAR. The compact, multifunctional LCAR is built in the form of thin panels that can also serve as the PLSS structural shell. We designed and assembled a 2 sq ft prototype LCAR based on this design and measured its performance in thermal vacuum tests when supplied with water vapor by a SWME. These tests validated our models for SEAR performance and showed that there is enough area available on the PLSS backpack shell to enable heat rejection from the LCAR.

Izenson, Michael G.↗

DOE OSTI2023

Demonstration of Microwave Cavity Transducer Performance in High Temperature Fluid Flow Sensing: Development of Microwave Cavity Flow Meter for Advanced Reactor High Temperature Fluids

We are investigating a microwave resonant cavity transducer for flow sensing in the vessel of a high temperature fluid advanced reactor (AR), such as a molten salt cooled reactor (MSCR) or a sodium fast reactor (SFR). This transducer is a hollow metallic cylindrical cavity, with one of the flat walls of the cylinder flexible enough to undergo microscopic deflection due to dynamic fluid pressure. Membrane deflection leads to a shift in the microwave resonant frequency, which can be detected with a spectrum analyzer. We have performed a preliminary proof-of-principle test of flow sensing in high temperature liquid sodium in environment, which is similar to that of an advanced reactor. The liquid sodium setup consists of a cylindrical vessel with a center feed line, where a transducer inserted through the top cap of the vessel measures velocity of the impinging liquid jet. For this test, we have developed a cylindrical resonator, which was machined from stainless steel 316 and electroplated with silver on the interior surfaces. Outer diameter of the cylindrical cavity is approximately 3cm, and the thin wall is approximately 200µm thick. We have also developed and insertion probe consisting of a 50cm WR-42 brass waveguide enclosed in a protective SS316 tube. The cavity was excited through a WR-42 waveguide through a subwavelength hole on the side of the wall of the cylinder in the TE 011 mode with resonant frequency f ≈ 17.8GHz. As a calibration experiment, we have assembled a water vessel with a center feed, and with dimensions similar to those of the liquid sodium setup. Frequency shift of the cavity spectral response was obtained at room temperature and ambient pressure by gradually increasing water flow rate from 0 to 25GPM (gallons per minute). Corresponding monotonic increase of resonant frequency by several hundred KHz was observed. Next, a sodium flow rate sensing study was performed in a liquid sodium vessel at 340° C temperature and ambient pressure. The flow rate was changed by varying sodium pump power, and a frequency shift of several hundred KHz was observed.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2021

Chemically Inert Hydrocarbon-Based Slurries for Rapid Laser Sintering of Thin Proton-Conducting Ceramics

The process of rapid laser sintering of thin BaZrO 3 –BaCeO 3 -based proton-conducting electrolytes is being developed for easy fabrication of ceramic fuel cells and electrolyzers. However, cracks on the electrolytes caused by volume change due to chemical reactions between the basic ceramic constituents and the polar solvents during wet processing has been problematic. In order to address this issue, the use of chemically inert saturated-hydrocarbon-based slurries comprised of hexadecane, polybutene, and a long-chain saturated fatty acid were investigated in this work. By optimizing slurry composition and laser sintering conditions, a 20 mm long, 4 mm wide, 13.5-μm-thick and 97%-dense BaCe 0.7 Zr 0.1 Y 0.07 Sm 0.13 O 3-d membrane showing proton conductivity on the order of 10 –4 S•cm –1 at 600 °C was successfully prepared in just three seconds by laser sintering. As a result, the use of saturated-hydrocarbon-based slurries will facilitate wet processing and rapid laser sintering of proton-conducting ceramic electrolytes.

36 MATERIALS SCIENCE↗

NASA NTRS2014

Performance of a Multifunctional Space Evaporator-Absorber-Radiator (SEAR)

The Space Evaporator-Absorber-Radiator (SEAR) is a nonventing thermal control subsystem that combines a Space Water Membrane Evaporator (SWME) with a Lithium Chloride Absorber Radiator (LCAR). The LCAR is a heat pump radiator that absorbs water vapor produced in the SWME. Because of the very low water vapor pressure at equilibrium with lithium chloride solution, the LCAR can absorb water vapor at a temperature considerably higher than the SWME, enabling heat rejection sufficient for most EVA activities by thermal radiation from a relatively small area radiator. Prior SEAR prototypes used a flexible LCAR that was designed to be installed on the outer surface of a portable life support system (PLSS) backpack. This paper describes a SEAR subsystem that incorporates a very compact LCAR. The compact, multifunctional LCAR is built in the form of thin panels that can also serve as the PLSS structural shell. We designed and assembled a 2 ft² prototype LCAR based on this design and measured its performance in thermal vacuum tests when supplied with water vapor by a SWME. These tests validated our models for SEAR performance and showed that there is enough area available on the PLSS backpack shell to enable rejection of metabolic heat from the LCAR. We used results of these tests to assess future performance potential and suggest approaches for integrating the SEAR system with future space suits.

Izenson, Michael G.↗

DOE OSTI2021

Evolution of eggshell structure in relation to nesting ecology in non-avian reptiles

Amniotic eggs are multifunctional structures that enabled early tetrapods to colonize the land millions of years ago, and are now the reproductive mode of over 70% of all terrestrial amniotes. Eggshell morphology is at the core of animal survival, mediating the interactions between embryos and their environment, and has evolved into a massive diversity of forms and functions in modern reptiles. These functions are critical to embryonic survival and may serve as models for new antimicrobial and/or breathable membranes. However, we still lack critical data on the basic structural and functional properties of eggs, particularly of reptiles. Here, we first characterized egg shape, shell thickness, porosity, and mineralization of eggs from 91 reptile species using optical images, scanning electron microscopy, and micro computed tomography, and collected data on nesting ecology from the literature. We then used comparative analyses to test hypotheses on the selective pressures driving their evolution. We hypothesized that eggshell morphology has evolved to protect shells from physical damage and desiccation, and, in support, found a positive relationship between thickness and precipitation, and a negative relationship between porosity and temperature. Although mineralization varied extensively, it was not correlated with nesting ecology variables. Ancestral state reconstructions show thinning and increased porosity over evolutionary time in squamates, but the opposite in turtles and crocodilians. Egg shape, size, porosity and calcification were correlated, suggesting potential structural or developmental tradeoffs. This study provides new data and insights into the morphology and evolution of reptile eggs, and raises numerous questions for additional research.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

Hybrid nanocapsules for in situ TEM imaging of gas evolution reactions in confined liquids

Liquid cell transmission electron microscopy (TEM) enables the direct observation of dynamic physical and chemical processes in liquids at the nanoscale. Quantitative investigations into reactions with fast kinetics and/or multiple reagents will benefit from further advances in liquid cell design that facilitate rapid in situ mixing and precise control over reagent volumes and concentrations. This work reports the development of inorganic–organic nanocapsules for high-resolution TEM imaging of nanoscale reactions in liquids with well-defined zeptoliter volumes. These hybrid nanocapsules, with 48 nm average diameter, consist of a thin layer of gold coating a lipid vesicle. As a model reaction, the nucleation, growth, and diffusion of nanobubbles generated by the radiolysis of water is investigated inside the nanocapsules. When the nanobubbles are sufficiently small (10–25 nm diameter), they are mobile in the nanocapsules, but their movement deviates from Brownian motion, which may result from geometric confinement by the nanocapsules. Gases and fluids can be transported between two nanocapsules when they fuse, demonstrating in situ mixing without using complex microfluidic schemes. The ability to synthesize nanocapsules with controlled sizes and to monitor dynamics simultaneously inside multiple nanocapsules provides opportunities to investigate nanoscale processes such as single nanoparticle synthesis in confined volumes and biological processes such as biomineralization and membrane dynamics.

36 MATERIALS SCIENCE↗

NASA NTRS2014

Overview of the 6 Meter HIAD Inflatable Structure and Flexible TPS Static Load Test Series

To support NASAs long term goal of landing humans on Mars, technologies which enable the landing of heavy payloads are being developed. Current entry, decent, and landing technologies are not practical for this class of payloads due to geometric constraints dictated by current launch vehicle fairing limitations. Therefore, past and present technologies are now being explored to provide a mass and volume efficient solution to atmospheric entry, including Hypersonic Inflatable Aerodynamic Decelerators (HIADs). At the beginning of 2014, a 6m HIAD inflatable structure with an integrated flexible thermal protection system (TPS) was subjected to a static load test series to verify the designs structural performance. The 6m HIAD structure was constructed in a stacked toroid configuration using nine inflatable torus segments composed of fiber reinforced thin films, which were joined together using adhesives and high strength textile woven structural straps to help distribute the loads throughout the inflatable structure. The 6m flexible TPS was constructed using multiple layers of high performance materials to protect the inflatable structure from heat loads that would be seen during atmospheric entry. To perform the static load test series, a custom test fixture was constructed. The fixture consisted of a structural tub rim with enough height to allow for displacement of the inflatable structure as loads were applied. The bottom of the tub rim had an airtight seal with the floor. The centerbody of the inflatable structure was attached to a pedestal mount as seen in Figure 1. Using an impermeable membrane seal draped over the test article, partial vacuum was pulled beneath the HIAD, resulting in a uniform static pressure load applied to the outer surface. During the test series an extensive amount of instrumentation was used to provide many data sets including: deformed shape, shoulder deflection, strap loads, cord loads, inflation pressures, and applied static load.In this overview, the 6m HIAD static load test series will be discussed in detail, including the 6m HIAD inflatable structure and flexible TPS design, test setup and execution, and finally initial results and conclusions from the test series.

inflatable aerodynamic decelerator↗

NASA NTRS2014

Overview of the 6m HIAD Inflatable Structure and Flexible TPS Static Load Test Series

To support NASAs long term goal of landing humans on Mars, technologies which enable the landing of heavy payloads are being developed. Current entry, decent, and landing technologies are not practical for this class of payloads due to geometric constraints dictated by current launch vehicle fairing limitations. Therefore, past and present technologies are now being explored to provide a mass and volume efficient solution to atmospheric entry, including Hypersonic Inflatable Aerodynamic Decelerators (HIADs). At the beginning of 2014, a 6m HIAD inflatable structure with an integrated flexible thermal protection system (TPS) was subjected to a static load test series to verify the designs structural performace. The 6m HIAD structure was constructed in a stacked toroid configuration using nine inflatable torus segments composed of fiber reinforced thin films, which were joined together using adhesives and high strength textile woven structural straps to help distribute the loads throughout the inflatable structure. The 6m flexible TPS was constructed using multiple layers of high performance materials to protect the inflatable structure from heat loads that would be seen during atmospheric entry. To perform the static load test series, a custom test fixture was constructed. The fixture consisted of a structural tub rim with enough height to allow for displacement of the inflatable structure as loads were applied. The bottom of the tub rim had an airtight seal with the floor. The centerbody of the inflatable structure was attached to a pedestal mount as seen in Figure 1. Using an impermeable membrane seal draped over the test article, partial vacuum was pulled beneath the HIAD, resulting in a uniform static pressure load applied to the outer surface. During the test series an extensive amount of instrumentation was used to provide many data sets including: deformed shape, shoulder deflection, strap loads, cord loads, inflation pressures, and applied static load.In this overview, the 6m HIAD static load test series will be discussed in detail, including the 6m HIAD inflatable structure and flexible TPS design, test setup and execution, and finally initial results and conclusions from the test series.

TPS↗

DOE OSTI2023

Structure-Based Design of Dual Bactericidal and Bacteria-Releasing Nanosurfaces

Here, we report synergistic nanostructured surfaces combining bactericidal and bacteria-releasing properties. A polystyrene-block-poly(methyl methacrylate) (PS-block-PMMA) diblock copolymer is used to fabricate vertically oriented cylindrical PS structures (“PS nanopillars”) on silicon substrates. The results demonstrate that the PS nanopillars (with a height of about 10 nm, size of about 50 nm, and spacing of about 70 nm) exhibit highly effective bactericidal and bacteria-releasing properties (“dual properties”) against Escherichia coli for at least 36 h of immersion in an E. coli solution. Interestingly, the PS nanopillars coated with a thin layer (≈3 nm thick) of titanium oxide (TiO 2 ) (“TiO 2 nanopillars”) show much improved dual properties against E. coli (a Gram-negative bacterium) compared to the PS nanopillars. Moreover, the dual properties emerge against Listeria monocytogenes (a Gram-positive bacterium). To understand the mechanisms underlying the multifaceted property of the nanopillars, coarse-grained molecular dynamics (MD) simulations of a lipid bilayer (as a simplified model for E. coli) in contact with a substrate containing hexagonally packed hydrophilic nanopillars were performed. The MD results demonstrate that when the bacterium–substrate interaction is strong, the lipid heads adsorb onto the nanopillar surfaces, conforming the shape of a lipid bilayer to the structure/curvature of nanopillars and generating high stress concentrations within the membrane (i.e., the driving force for rupture) at the edge of the nanopillars. Membrane rupture begins with the formation of pores between nanopillars (i.e., bactericidal activity) and ultimately leads to the membrane withdrawal from the nanopillar surface (i.e., bacteria-releasing activity). In the case of Gram-positive bacteria, the adhesion area to the pillar surface is limited due to the inherent stiffness of the bacteria, creating higher stress concentrations within a bacterial cell wall. In conclusion, the present study provides insight into the mechanism underlying the “adhesion-mediated” multifaceted property of nanosurfaces, which is crucial for the development of next-generation antibacterial surface coatings for relevant medical applications.

36 MATERIALS SCIENCE↗