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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.

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At least 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Enhancing Cycling Stability of Lithium Metal Batteries by a Bifunctional Fluorinated Ether

Abstract The lifespan of lithium (Li) metal batteries (LMBs) can be greatly improved by the formation of inorganic‐rich electrode‐electrolyte interphases (EEIs) (including solid‐electrolyte interphase on anode and cathode‐electrolyte interphase on cathode). In this work, a localized high‐concentration electrolyte containing lithium bis(fluorosulfonyl)imide (LiFSI) salt, 1,2‐dimethoxyethane (DME) solvent and 1,2‐bis(1,1,2,2‐tetrafluoroethoxy)ethane (BTFEE) diluent is optimized. BTFEE is a fluorinated ether with weakly‐solvating ability for LiFSI so it also acts as a co‐solvent in this electrolyte. It can facilitate anion decomposition at electrode surfaces and promote the formation of more inorganic‐rich EEI layers. With an optimized molar ratio of LiFSI:DME:BTFEE = 1:1.15:3, LMBs with a high loading (4 mAh cm −2 ) lithium nickel manganese cobalt oxide (LiNi 0.8 Mn 0.1 Co 0.1 ) cathode can retain 80% capacity in 470 cycles when cycled in a voltage range of 2.8–4.4 V. The fundamental understanding on the functionality of BTFEE revealed in this work provides new perspectives on the design of practical high‐energy density battery systems.

25 ENERGY STORAGE↗
DOE OSTI2024

Ducted Fuel Injection And Cooled Spray Technologies For Particulate Control In Heavy-duty Diesel Engines (Final Report)

Cooled Spray (CS) and Ducted Fuel Injection (DFI) are in-cylinder technologies for diesel engines that can reduce particulate matter and soot emissions and data has been published showing that these technologies can reduce soot emissions by 75-100% for some engines at some operating conditions. However, little is known about scaling the devices for engine size. Additionally, the performance of either technology over the engine duty cycle has not been explored. This project addresses both of these points through single-cylinder engine investigations. The objectives of this project are to provide details about dimensional scaling of these devices and to demonstrate 75% PM reduction over a range of operating conditions on a single-cylinder engine. Two engines were used for this project: a 125mm bore optically accessible engine at Sandia National Laboratories and a 168mm bore metal engine at Southwest Research Institute. The optical engine was used to study the performance of DFI and CS inserts for a large injector orifice diameter injector that is characteristic of a locomotive engine and to perform scaling studies for DFI. The metal engine was used to perform scaling and alignment studies for CS and to evaluate the technology for both EGR and non-EGR engines over the engine operating map. Modifications were required for both engines to accept the prototype inserts being tested. The optical engine required a new fuel injector, cylinder head and piston so that tests could be run at the pressures and engine speeds required. Additionally, a novel rotating stage was designed for the optical engine to simplify alignment of the modules. The metal engine required a modified cylinder head to accept CS inserts and a modified piston to provide additional space around the fuel injector for the CS inserts. Tests on the optical engine showed that DFI reduces PM emissions for both small injector orifices (0.170mm diameter) and large injector orifices (0.290mm). For high load testing, the DFI modules were not as effective as at low load testing, but it was acknowledged that minimal geometric optimization was performed and more improvements may be possible. Comparing DFI to CS and conventional diesel combustion (CDC), DFI performed better than CS or CDC. The CS geometries used in these studies may not be ideal for that engine and additional modifications likely would improve performance. Tests on the metal engine showed PM reductions as high has 80% at some operating conditions with duty-cycle PM reductions of ~50% for EGR and non-EGR configurations. The CS testing on the metal engine showed that chamfering of the fuel passage inlet either through hydro-erosion or mechanical grinding provided significant improvements in the PM reduction capabilities of the insert. Additionally, alignment sensitivities were explored and the data show that the tolerance to misalignment is approximately 0.05 to 0.1mm for the inserts that were studied here. Air-fuel ratio was shown to be important in the effectiveness of the CS inserts. In several tests, it was shown that the CS inserts are more effective at reducing the PM for high-AFR operating conditions compared to low AFR conditions. In summary, multiple designs were evaluated on both engines. It was found that for the conditions and configurations studied here, a fuel passage diameter of ~2.5mm performed best overall. Significant duty-cycle PM reductions are possible using these technologies and sensitivities to AFR, alignment fuel passage diameter and inlet fuel passage shaping were explored and are reported here. More PM reduction may be possible with improved geometric design and attention to alignment practices.

02 PETROLEUM↗
DOE OSTI2023

Polymer-Infiltrated Metal–Organic Frameworks for Thin-Film Composite Mixed-Matrix Membranes with High Gas Separation Properties

Thin-film composite mixed-matrix membranes (TFC-MMMs) have potential applications in practical gas separation processes because of their high permeance (gas flux) and gas selectivity. In this study, we fabricated a high-performance TFC-MMM based on a rubbery comb copolymer, i.e., poly(2-[3-(2H-benzotriazol-2-yl)-4-hydroxyphenyl] ethyl methacrylate)-co-poly(oxyethylene methacrylate) (PBE), and metal–organic framework MOF-808 nanoparticles. The rubbery copolymer penetrates through the pores of MOF-808, thereby tuning the pore size. In addition, the rubbery copolymer forms a defect-free interfacial morphology with polymer-infiltrated MOF-808 nanoparticles. Consequently, TFC-MMMs (thickness = 350 nm) can be successfully prepared even with a high loading of MOF-808. As polymer-infiltrated MOF is incorporated into the polymer matrix, the PBE/MOF-808 membrane exhibits a significantly higher CO 2 permeance (1069 GPU) and CO 2 /N 2 selectivity (52.7) than that of the pristine PBE membrane (CO 2 permeance = 431 GPU and CO 2 /N 2 selectivity = 36.2). Therefore, the approach considered in this study is suitable for fabricating high-performance thin-film composite membranes via polymer infiltration into MOF pores.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Electrocatalytic grafting of polyvinyl chloride plastics

Polyvinyl chloride (PVC) plastics require high loadings of plasticizers and stabilizers to achieve commercially useful bulk properties. However, these non-covalent additives leach from PVC over time, resulting in the loss of their tailored functionality. This work details the electrocatalytic functionalization of PVC to covalently graft plasticizing additives directly onto the polymer backbone. Here, mechanistic insights guided the design of electrocatalysts capable of modifying C–Cl bonds of PVC under mild conditions with high selectivity while suppressing side reactions such as elimination and chain scission. Functional groups that mimic PVC plasticizers are covalently installed into the backbone of PVC to create new materials with distinct bulk properties from the original polymer. The degree of polymer grafting is easily controlled by simply changing the redox capacity that is passed during electrolysis. This strategy is employed to create chemically- and leach-resistant PVC materials by directly electrolyzing mixtures of consumer PVC products

Zackasee, Jordan L.S.↗
DOE OSTI2020

Microstructural Evolution and ORR Activity of Nanocolumnar Platinum Thin Films with Different Mass Loadings Grown by High Pressure Sputtering

Nanocolumnar platinum thin films (Pt-TFs) with different Pt mass loadings were grown by high pressure sputtering (HIPS) and investigated as oxygen reduction reaction (ORR) electrocatalysts for polymer electrolyte membrane fuel cell applications. Mass loading was controlled by changing the sputter deposition time. A cauliflower-like columnar microstructure was achieved by depositing the Pt-TFs onto a microporous layer (MPL)-like surface composed of carbon particles in order to mimic catalyst-coated gas diffusion electrodes. Microstructural evolution of HIPS Pt-TFs and their ORR activity were investigated. Electrochemical characterization of the nanocolumnar Pt-TFs was performed by cyclic voltammetry and rotating disk electrode measurements on Pt-TF/MPL-like-layer/glassy-carbon samples in an aqueous perchloric acid electrolyte. The electrochemically active surface area increased from 18 to 39 m 2 g –1 as the Pt mass loading was decreased. Specific activity of the films was similar (~600 μA cm –2 ) for all Pt mass loadings, due to the similar nanoparticle sizes of ~5 nm as observed by transmission electron microscopy and X-ray diffraction. Furthermore, mass activity of the films increased from 0.11 to 0.26 A mg –1 as the Pt mass loading was decreased, which is an indication of the effective Pt utilization and better access through the catalyst layer at lower Pt mass loadings.

08 HYDROGEN↗
DOE OSTI2021

Thickness-independent scalable high-performance Li-S batteries with high areal sulfur loading via electron-enriched carbon framework

Abstract Increasing the energy density of lithium-sulfur batteries necessitates the maximization of their areal capacity, calling for thick electrodes with high sulfur loading and content. However, traditional thick electrodes often lead to sluggish ion transfer kinetics as well as decreased electronic conductivity and mechanical stability, leading to their thickness-dependent electrochemical performance. Here, free-standing and low-tortuosity N, O co-doped wood-like carbon frameworks decorated with carbon nanotubes forest (WLC-CNTs) are synthesized and used as host for enabling scalable high-performance Li-sulfur batteries. EIS-symmetric cell examinations demonstrate that the ionic resistance and charge-transfer resistance per unit electro-active surface area of S@WLC-CNTs do not change with the variation of thickness, allowing the thickness-independent electrochemical performance of Li-S batteries. With a thickness of up to 1200 µm and sulfur loading of 52.4 mg cm −2 , the electrode displays a capacity of 692 mAh g −1 after 100 cycles at 0.1 C with a low E/S ratio of 6. Moreover, the WLC-CNTs framework can also be used as a host for lithium to suppress dendrite growth. With these specific lithiophilic and sulfiphilic features, Li-S full cells were assembled and exhibited long cycling stability.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Poly( N -vinylpyrrolidone)- block -Poly(dimethylsiloxane)- block -Poly( N -vinylpyrrolidone) Triblock Copolymer Polymersomes for Delivery of PARP1 siRNA to Breast Cancers

Nearly 20% of HER2-positive breast cancers develop resistance to HER2-targeted therapies requiring the use of advanced therapies. Silencing RNA therapy may be a powerful modality for treating resistant HER2 cancers due to its high specificity and low toxicity. However, the systemic administration of siRNAs requires a safe and efficient delivery platform because of siRNA’s low stability in physiological fluids, inefficient cellular uptake, immunoreactivity, and rapid clearance. We have developed theranostic polymeric vesicles to overcome these hurdles for encapsulation and delivery of small functional molecules and PARP1 siRNA for in vivo delivery to breast cancer tumors. The 100 nm polymer vesicles were assembled from biodegradable and non-ionic poly(N-vinylpyrrolidone) 14 -block-poly(dimethylsiloxane) 47 -block-poly(N-vinylpyrrolidone) 14 triblock copolymer PVPON 14 -PDMS 47 -PVPON 14 using nanoprecipitation and thin-film hydration. We demonstrated that the vesicles assembled from the copolymer covalently tagged with the Cy5.5 fluorescent dye for in vivo imaging could also encapsulate the model drug with high loading efficiency (40%). The dye-loaded vesicles were accumulated in tumors after 18 h circulation in 4TR breast tumor-bearing mice via passive targeting. We found that PARP1 siRNA encapsulated into the vesicles was released intact (13%) into solution by the therapeutic ultrasound treatment as quantified by gel electrophoresis. Additionally, the PARP1 siRNA-loaded polymersomes inhibited the proliferation of MDA-MB-361TR cells by 34% after 6 days of treatment by suppressing the NF-kB signaling pathway, unlike their scrambled siRNA-loaded counterparts. Finally, the treatment by PARP1 siRNA-loaded vesicles prolonged the survival of the mice bearing 4T1 breast cancer xenografts, with the 4-fold survival increase, unlike the untreated mice after 3 weeks following the treatment. These biodegradable, non-ionic PVPON 14 -PDMS 47 -PVPON 14 polymeric nanovesicles capable of the efficient encapsulation and delivery of PARP1 siRNA to successfully knock down PARP1 in vivo can provide an advanced platform for the development of precision-targeted therapeutic carriers, which could help develop highly effective drug delivery nanovehicles for breast cancer gene therapy.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Damaged Fuel in the United States - 20325

Throughout the history of commercial nuclear power plant operations in the U.S., many fuel assemblies have lost the capability to perform all of their desired functions. Since they can no longer be handled, stored, or transported in accordance with established regulations, they are classified as damaged fuel. The causes of these failed assemblies are diverse and plant-specific. The majority of these failed assemblies are contained in damaged fuel cans to be used in conjunction with storage and/or transportation systems. These systems have a limited number of slots that can be filled with damaged fuel cans. A damaged fuel can is generally a stainless-steel container that confines damaged spent nuclear fuel (SNF) and is closed at one end by mesh endpoints that allow gaseous and liquid media to escape but minimize the dispersal of gross particulate material. Out of extreme caution, a few reactors have loaded high burnup fuel into damaged fuel cans. Damaged fuel is not licensed for storage or transport in the U.S. because relevant regulations do not specify exactly how to classify damaged fuel. Instead, these regulations license/certify packages that specify approved contents. Damaged fuel must be included among the approved contents to be considered acceptable. In many cases, damaged SNF is encapsulated in damaged fuel cans to ensure it can confine gross fuel particles, debris, and/or damaged assemblies to known volumes within loaded casks. A damaged fuel can may then be utilized in the same way as an assembly in a storage and transportation system. Some storage cask systems utilize top and bottom plugs to confine debris in damaged fuel. The most recent domestic documentation on damaged SNF was published by the U.S. Energy Information Administration (EIA), which used data from U.S. reactors compiled from 1968 to June 30, 2013, to produce Form GC-859, 'Nuclear Fuel Data Survey.' According to this form, there were 136,821 boiling water reactor (BWR) SNF assemblies and 104,647 pressurized water reactor (PWR) SNF assemblies, for a combined total of 241,468. Of these, 4,521 were classified as failed. Some were also disassembled and the fuel rods or pieces of fuel rods combined to make consolidated assemblies. These consolidated assemblies may include damaged fuel or were perhaps consolidated as part of a demonstration project. The GC-859 data includes 2,550 consolidated assemblies containing 0 - 264 entire fuel rods. These consolidated assemblies could be placed in single assembly canisters and stored in the spent fuel pool. For dry storage and transportation, a single assembly canister is generally placed in each damaged fuel can. In addition to the consolidated assemblies, 2,391 un-canistered fuel rod pieces exist, which were removed from 494 assemblies. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Li 2.9 Fe 0.9 Zr 0.1 Cl 6 as Redox-Active Catholyte for Solid-State Li-Ion Batteries

Solid electrolytes are one of the key challenges that hinder the commercialization of all-solid-state batteries. Most efforts have been made to advance the development of solid electrolytes as separators, while the development of catholytes, particularly redox-active catholytes, has been less extensively studied. The high loading of catholytes in composite cathodes, while facilitating ionic conduction, drastically decreases the energy density of the battery. Here, we report an alternative strategy to improve the energy density by using Li 2.9 Fe 0.9 Zr 0.1 Cl 6 as a redox-active catholyte. With a composite cathode containing uncoated LiCoO2 and Li 2.9 Fe 0.9 Zr 0.1 Cl 6 , the solid-state cell not only shows excellent rate capability and stable long-term cycling, benefiting from the high ionic conductivity of Li 2.9 Fe 0.9 Zr 0.1 Cl 6 , but also shows a high cathode specific capacity of ~153 mAh·g –1 . This study broadens the chemical space of the materials design for lithium-ion conductors with redox-active elements (e.g., Fe, Ti, V, and Cr), offering new opportunities to reduce the cost and improve the energy density for all-solid-state batteries.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Giant Electrostriction via Nanodomain Engineering in Relaxor Ferroelectric Polymers

Relaxor ferroelectric (RFE) polymers hold great promise for artificial muscles due to their high actuation strain, high loading stress, and fast response. However, the structural origin underlying their large electrostrictive deformation remains elusive. In this study, we investigate poly(vinylidene fluoride-co-trifluoroethylene) [P(VDF-TrFE)]-based RFE terpolymers, incorporating 1,1-chlorofluoroethylene (CFE) or chlorotrifluoroethylene (CTFE) (the terpolymers are denoted as terP-CFE and terP-CTFE, respectively) as termonomers. Although both terpolymers show similar semicrystalline morphology, drastically different electrostrictive properties are observed. Specifically, the terP-CFE annealed at 100 °C achieves a record-high transverse strain of ∼10.6%, whereas 100 °C-annealed terP-CTFE only shows a much lower actuation strain of ∼4.2% at the same poling field of 190 MV/m. To elucidate the origin of this difference, time-resolved wide-angle X-ray diffraction, small-angle X-ray scattering, and Fourier transform infrared experiments are performed during in situ electric poling. An RFE-to-ferroelectric (FE) crystal phase transition is observed for terP-CFE but is absent for terP-CTFE. Beyond the contribution of the crystalline phase, the oriented amorphous fraction and crystalline defects (e.g., taut-tie molecules) also play significant roles in enhancing electrostriction. In conclusion, this mechanistic insight provides a valuable foundation for the rational design of next-generation RFE polymers with tunable properties through defect engineering of their semicrystalline structures.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Nonsolvating Fluoroaromatic Cosolvent Enabled Long-Term Cycling of High-Voltage Lithium-Ion Batteries with Organosulfur Electrolytes

Here, the structure–activity relationships of nonsolvating cosolvents for organosulfur-based electrolyte systems were revealed. The performance of nonsolvating dilutant fluorobenzene (FB) was compared to various fluorinated ether dilutants in high-voltage electrolytes containing a concentration of 1.2 M LiPF 6 dissolved in fluoroethylene carbonate (FEC), ethyl methyl sulfone (EMS), and the dilutant. In a high-voltage and high-loading LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC811) full cell configuration, the organosulfur-based electrolyte containing FB dilutant enabled superior electrochemical performance compared to the electrolytes using other nonsolvating fluorinated ether formulations. Moreover, the FB-containing electrolyte exhibited the highest ionic conductivity and lowest viscosity among all organosulfur-based electrolytes containing nonsolvating dilutant. These improvements are attributed to the enhanced physical properties of electrolyte and lithium-ion mobility. Furthermore, by employing first-principles simulations, the observed suppression of side reactions at high voltage is linked to FB’s lower reactivity toward singlet dioxygen, which is likely produced at the NMC interface. Overall, FB is considered an excellent diluent that does not impede cell operation by mass decomposition at the cathode.

25 ENERGY STORAGE↗
DOE OSTI2021

Dynamic Distribution of High-Rate Data Processing from CERN to Remote HPC Data Centers

The prompt reconstruction of the data recorded from the Large Hadron Collider (LHC) detectors has always been addressed by dedicated resources at the CERN Tier-0. Such workloads come in spikes due to the nature of the operation of the accelerator and in special high load occasions experiments have commissioned methods to distribute (spill-over) a fraction of the load to sites outside CERN. The present work demonstrates a new way of supporting the Tier-0 environment by provisioning resources elastically for such spilled-over workflows onto the Piz Daint Supercomputer at CSCS. Furthermore, this is implemented using containers, tuning the existing batch scheduler and reinforcing the scratch file system, while still using standard Grid middleware. ATLAS, CMS and CSCS have jointly run selected prompt data reconstruction on up to several thousand cores on Piz Daint into a shared environment, thereby probing the viability of the CSCS high performance computer site as on demand extension of the CERN Tier-0, which could play a role in addressing the future LHC computing challenges for the high luminosity LHC.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Damaged Fuel in the United States

Over the years of commercial nuclear power plant operations in the United States (U.S.), many fuel assemblies have lost the capability to perform all of their desired functions. These assemblies have lost the capability to be handled, stored, or transported to meet regulations resulting in them being classified as damaged fuel. The causes of these failed assemblies are diverse and plant-specific. The majority of these failed assemblies are contained in a damaged fuel can that will be used in conjunction with a storage and/or transportation system. The storage and transportation systems have a limit on how many slots can be filled with damaged fuel cans. A damaged fuel can is generally a stainless steel container that confines damaged SNF and is closed on its end by screened openings. These screened openings allow gaseous and liquid media to escape but minimize the dispersal of gross particulate material. Out of an abundance of caution a few reactors have loaded high burnup fuel into damaged fuel cans. Damaged fuel is not licensed for storage or transport in the U.S., because the regulations for storage and transport do not specify exactly how to classify damaged fuel. Instead the regulations license/certify packages that specify approved contents. Damaged fuel must be included in the approved contents to be a viable option. In many cases damaged SNF is encapsulated in a damaged fuel can to ensure it can confine gross fuel particles, debris, and or damaged assemblies to a known volume within a loaded cask. This damaged fuel can may then be utilized in the same way as an assembly in a storage and transportation design system. Some storage cask systems utilize top and bottom plugs to confine debris in damaged fuel. The most recent domestic documentation on damaged SNF was performed by the U.S. Energy Information Administration (EIA) and used data from U.S. reactors concluding in June 30th 2013 to produce Form GC-859, “Nuclear Fuel Data Survey”. Based on this form there were 136,821 boiling water reactor (BWR) spent nuclear fuel (SNF) assemblies and 104,647 pressurized water reactor (PWR) SNF assemblies for a total of 241,468 SNF assemblies in the U.S. Out of these 241,468 SNF assemblies, 4,521 assemblies were classified as failed. Some assemblies were also disassembled and the fuel rods or pieces of fuel rods were combined together to make a consolidated assembly. A consolidated assembly may include damaged fuel, or it could have been consolidated as part of a demonstration project. The GC-859 data includes 2,550 consolidated assemblies containing between 0 and 264 whole fuel rods. These consolidated assemblies could be placed in single assembly canisters and stored in the spent fuel pool. For dry storage and transportation, a single assembly canister is generally placed in a damaged fuel can. In addition to the consolidated assemblies, 2,391 uncanistered fuel rod pieces exist, which were removed from 494 assemblies.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Ion-Exchange Kinetics of Alpha-Zirconium Phosphate Nanoplatelets for Application in Targeted Alpha Therapy

The loading and kinetics of uptake for the inorganic ion-exchange material, α-zirconium phosphate, Zr(HPO 4 ) 2 •H 2 O, were investigated with ions relevant to targeted alpha therapy including natural Cs + (as a surrogate for 221 Fr), natural Bi 3+ (as a surrogate for 213 Bi), and natural La 3+ (as a surrogate for 225 Ac). The narrow interlayer spacing of the α-phase (d = 7.6 Å) was found not to be advantageous with respect to rapid ion exchange, while converting the material to the hydrated Na-phase (d = 12.2 Å) allowed ion exchange to proceed more quickly, reaching equilibrium in under an hour. High loading was achieved for all three ions, at 72 ± 4% for Cs + and 95 ± 5% for La 3+ at pH 3 and 108 ± 10% for Bi 3+ at pH 0.5. Leaching profiles of the loaded materials in a simulated human plasma environment of 10 mM carbonate buffer at pH 7.4 and 37°C, showed negligible release, with less than 1% in all cases. Furthermore, the ion-exchange properties and overall benign nature of zirconium phosphate highlight these materials as a promising platform for a targeted alpha therapy drug-delivery vehicle.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Comparative Study on Deep Learning Methods for Defect Identification and Classification in Composite Aerostructure Material

Aircraft structures are required to have a high level of quality to satisfy their need for light weight, efficient flight, and withstanding high loads over their lifespan. These aerostructures are typically made from composite material due to their good tensile strength and resistance to compression. To ensure their structural integrity, the composite material requires inspection for common flaws such as porosity, delaminations, voids, foreign object debris, and other defects. Ultrasonic testing (UT) is a popular non-destructive inspection (NDI) technique used for effectively evaluating composite material. Current inspection methods rely heavily on human experience and are extremely time consuming. Therefore, there is a need for the development of techniques to reduce the manual inspection time. This work compares the performance of different deep learning-based methods in the identification and classification of defects. Deep learning has shown great promise in numerous fields, and we show its effectiveness in the evaluation of composite aerostructure material. Furthermore, the methods developed here are both highly reliable with a top recall value of 98.63% as well as extremely efficient requiring an average of 4 seconds during the inferencing stage to evaluate new composites.

composites↗
DOE OSTI2024

The effect of low temperature on poly(3-methyl- N -vinylcaprolactam)- b -poly( N -vinylpyrrolidone) diblock copolymer nanovesicles assembled from all-aqueous media

Nanosized polymeric vesicles (polymersomes) self-assembled from double hydrophilic copolymers of poly(3-methyl-N-vinylcaprolactam) n -b-poly(N-vinylpyrrolidone) m (PMVC n -b-PVPON m ) using all aqueous media are a promising platform for biomedical applications, because of their superior stability over liposomes in vivo and high loading capacity. Herein, we explored the temperature-sensitive behavior of PMVC 58 -b-PVPON 65 vesicles using transmission electron microscopy (TEM), dynamic light scattering (DLS), atomic force microscopy (AFM), and small-angle neutron scattering (SANS) in response to lowering the solution temperature from 37 to 25, 20, 14 and 4 °C. The copolymer vesicles with an average size of 350 nm at 37 °C were assembled from the diblock copolymer dissolved in aqueous solution at 4 °C. We show that while the polymersome's size gradually decreases upon the temperature decrease from 37 to 4 °C, the average shell thickness increases from 17 nm to 25 nm, respectively. SANS study revealed that the PMVC 58 -b-PVPON 65 vesicle undergoes a gradual structure evolution from a dense-shell vesicle at 37–25 °C to a highly-hydrated shell vesicle at 20–14 °C to molecular chain aggregates at 4 °C. From SANS contrast matching study, this vesicle behavior is found to be driven by the gradual rehydration of PMVC block at 37–14 °C. The shell hydration at 20–14 °C also correlated with the 4.4-fold decrease in the relative fluorescence intensity from vesicle-encapsulated fluorescent dye, indicating ~80% of the dye release within 12 hours after the vesicle exposure to 14 °C. No significant (<5%) dye release was observed for the vesicle solutions at 37–20 °C, indicating excellent cargo retention inside the vesicles. Our study provides new fundamental insights on temperature-sensitive polymer vesicles and demonstrates that the copolymer assembly into polymersomes can be achieved by decreasing a copolymer aqueous solution temperature below 14 °C followed by solution exposure to ≥20 °C. This type of all-aqueous assembly, instead of nanoprecipitation from organic solvents or solvent exchange, can be highly desirable for encapsulating a wide range of biological molecules, including proteins, peptides, and nucleic acids, into stable polymer vesicles without a need for organic solvents for dissolution of the copolymers that are amphiphilic at physiologically relevant temperatures of 20–37 °C.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Evaluating Model Robustness for Defect Identification and Classification in a Composite Aerostructure Material

Aircraft structures are required to have a high level of quality to satisfy their need for light weight, efficient flight, and withstanding high loads over their lifespan. These aerostructures are typically made from a composite material due to their good tensile strength and resistance to compression. To ensure their structural integrity, the composite material requires inspection for common flaws such as porosity, delaminations, voids, foreign object debris, and other defects. Ultrasonic testing (UT) is a popular non-destructive inspection (NDI) technique used for effectively evaluating the composite material. Current inspection methods rely heavily on human experience and are extremely time consuming. Therefore, there is a need for the development of techniques to reduce the manual inspection time. This work compares the performance of different deep learning-based methods in the identification and classification of defects. Deep learning has shown great promise in numerous fields, and we show its effectiveness in the evaluation of the composite aerostructure material. The methods developed here are both highly reliable with a top recall value of 98.64% as well as extremely efficient requiring an average of 4 s during the inferencing stage to evaluate new composites. Lastly, we investigate model robustness to concept drift by measuring its performance over time.

36 MATERIALS SCIENCE↗