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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Partially averaged Navier-Stokes closure modeling for variable-density turbulent flow

We report this work extends the framework of the partially averaged Navier-Stokes (PANS) equations to variable-density flow, i.e., multimaterial and/or compressible mixing problems with density variations and production of turbulence kinetic energy by both shear and buoyancy mechanisms. The proposed methodology is utilized to derive the PANS BHR-LEVM closure. This includes a priori testing to analyze and develop guidelines toward the efficient selection of the parameters controlling the physical resolution and, consequently, the range of resolved scales of PANS. Two archetypal test-cases involving transient turbulence, hydrodynamic instabilities, and coherent structures are used to illustrate the accuracy and potential of the method: the Taylor-Green vortex at Reynolds number Re = 3000, and the Rayleigh-Taylor flow at Atwood number 0.5 and (Re) max ≈ 500. These representative problems, for which turbulence is generated by shear and buoyancy processes, constitute the initial validation space of the new model, and their results are comprehensively discussed in two subsequent studies. The computations indicate that PANS can accurately predict the selected flow problems, resolving only a fraction of the scales of large-eddy simulation and direct numerical simulation strategies. The results also reiterate that the physical resolution of the PANS model must guarantee that the key instabilities and coherent structures of the flow are resolved. The remaining scales can be modeled through an adequate turbulence scale-dependent closure.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Emulsion separation and fouling of electrospun polyacrylonitrile membranes for produced water applications

Produced water (PW) is a complex mixture generated during oil and gas extraction. Membrane fouling by hydrocarbon emulsions (sizes < 10 µm) challenges most PW treatment systems. Electrospinning has the possibility of creating microporous membranes that present unique performance properties, though evaluations of these characteristics are largely restricted to unrealistic dead-end configurations. Three different nanofibrous polyacrylonitrile (PAN) membranes were synthesized by electrospinning and their performances contrasted with a commercially available PAN membrane. Feed solutions included synthetic oil and solvent emulsions and a PW from an operating well-site. Two nanoparticles, polyaniline (PANI) and reduced graphene oxide (RGO), were studied for enhancing the oleophobicity and fouling properties of the electrospun PAN membranes. Electrospun membranes showed higher porosities (68 to 80 %) and water permeance values (9,000 to 10,000 LMH/bar) relative to that for the commercially available PAN membrane (44 % and 8,800 LMH/bar). All electrospun membranes provided superior performance characteristics when treating the emulsions and PW relative to the commercial membrane. Furthermore, the PANI integrated membrane demonstrated the greatest resistance to oil/solvent emulsion fouling and comparable performance to the RGO and PAN membrane treating the PW.

03 NATURAL GAS↗
DOE OSTI2021

PPARα agonist exerts protective effects in podocyte injury via inhibition of the ANGPTL3 pathway

Peroxisome proliferator-activated receptor α (PPARα) activation has been reported to exert protective effects on podocytes, whereas angiopoietin-like 3 (ANGPTL3) has been shown to exert significant pathogenic effects on these cells. This study aimed to investigate the link between the protective effects of PPARα activation and the pathogenic effects of ANGPTL3 in podocytes. Both PPARα and ANGPTL3 were expressed in cultured podocytes. PPARα mRNA and protein levels decreased whereas ANGPTL3 mRNA and protein levels increased in a time-dependent manner in podocytes treated with puromycin aminonucleoside (PAN). Gemfibrozil, a pharmacological agonist of PPARα, increased PPARα levels and activity in podocytes. The drug also decreased ANGPTL3 levels by potentially weakening ANGPTL3 promoter activity in both normal and PAN-treated podocytes. Furthermore, gemfibrozil significantly decreased PAN-induced apoptosis and F-actin rearrangement. Primary podocytes from Angptl3-knockout mice were cultured. There was no significant difference between Angptl3{sup −/−} podocytes treated with or without gemfibrozil in the lamellipodia numbers after PAN treatment. The results suggested that the protective effects of gemfibrozil on podocytes were not exerted following knockout of the Angptl3 gene. This study identified a novel mechanism of the PPARα agonist gemfibrozil that exerts its protective effects by inhibiting PAN-induced apoptosis and cytoskeleton rearrangements through inhibition of ANGPTL3 expression.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

A multifunctional technology platform for sorbent construction using polyacrylonitrile scaffolds

Polyacrylonitrile (PAN) is a synthetic polymer that shows high potential for use in a wide range of environmental remediation applications. PAN can be implemented in various ways within a batch or continuous process stream for use as a passive scaffold holding active gettering materials in place or where the PAN scaffold (e.g., beads, fiber mats, membranes) is functionalized with active chelating groups (e.g., amine, hydrazide, amidoximes, carboxyl). Application spaces covered in this review include remediation of heavy metals (e.g., Ag, As, Cd, Cr6+, Cu, Pb, Sb, and Se), high-dose fission products (e.g., 90Sr, 137Cs), radioiodine (i.e., 129I), noble gases (i.e., Xe, 85Kr), rare earths (e.g., Ce, Y), and actinides (e.g., Am, Pu, U). Methods for producing PAN composite sorbents are discussed. Options are also discussed for removing the PAN matrix following chemisorption of an active contaminant to minimize waste volumes requiring disposal.

polyacrylonitrile, composite sorbents, sulfides, a↗
DOE OSTI2024

Molecular structures of residual solvent in polyacrylonitrile based electrolytes: Implications for conductivity and stability

Lithium-ion batteries increasingly play significant roles in modern technologies; however, increased energy density also raises concerns about electrolyte safety. Traditional electrolytes that use volatile organic solvents face risks of thermal runaways and fires from electrode shorting. In response, polymer-based solid electrolytes have been developed for replacement. Polyacrylonitrile (PAN) is a promising fire-resistant component for electrolyte fabrication, but its limited solubility necessitates using low-volatility solvents, which are notoriously difficult to remove in subsequent drying processes. Here, we use femtosecond two-dimensional infrared spectroscopy to provide an in-depth understanding of how residual solvent from processing affects the molecular structures and dynamics within a polymer electrolyte. To this end, linear and nonlinear infrared spectroscopies are employed to interrogate the molecular interactions in PAN-based electrolytes containing various contents of N,N-dimethylformamide (DMF). We show that the amount of DMF within the PAN electrolyte affects the Li+ structure. Further, the coordination can proceed through the carbonyl group and/or the amide nitrogen to form antiparallel structures with the nitrile groups of PAN through dipole–dipole interactions. The free motion of DMF is drastically inhibited upon interaction with Li+ and PAN, which decreases the ionic conductivity and potentially affects the stability (resistance toward removal and chemical decomposition). These findings have implications for the design and processing of solid polymer electrolytes.

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

Next Generation Fiber-Encapsulated Nanoscale Hybrid Materials for Direct Air Capture with Selective Water Rejection

Recently, NOHMs sorbents have been demonstrated to be highly stable and tunable for CO2 capture and have negligible vapor pressure, but their main drawbacks are high viscosity and high gas transfer limitation in their neat bulk phase. This project explored gas-assisted electrospinning processing coupled with promising encapsulation matrices such as Polymers with Intrinsic Microporosity (PIM-1) and polyacrylonitrile (PAN)/organopolysilizane (OPSZ) polymer/ceramic hybrid materials, which were demonstrated to be effective novel carriers for the active NOHMs sorbents. These encapsulation materials were evaluated by their thermal stability, hydrophobicity, permeability, and CO2 selectivity. The manufacturing parameters such as component composition and processing solvent were linked to bulk sorbent properties, e.g., surface area, pore volume, fiber thickness, capture capacity, capture kinetics, etc. These investigations resulted in fundamental knowledge and technical know-how that will be useful for scaling up the nanofiber mat contactor design. The encapsulation materials and design has been shown to not only increase the thermal oxidative stability of the NOHMs, but also yield significantly reduced pressure drop and increased performance of large modular air filters. 70 PAN: 30 OPSZ/NIPEI fibers exhibited the highest capture performance with 1.5 mmol CO2/g∙h kinetics the first hour under 100% CO2 condition, followed by 80 PAN: 20 OPSZ/NIPEI and 90 PAN: 10 OPSZ/NIPEI, while 90 PAN: 10 OPSZ/NIPEI fibers performed the best with 0.25 mmol CO2/g∙h of the initial kinetics under 400 ppm CO2 concentration. All the fabricated fibers demonstrated stable capture performances up to 15 cycles of adsorption and desorption. Using encapsulated NOHMs, the study found that the microwave could help regenerate the capture materials within 20 minutes without chemically degrading the materials. A high-level TEA/LCA study was performed to evaluate the feasibility of this technology at scale. These estimates show that the sorbent cost and environmental impact levels are comparable to other existing technologies. Overall, these findings increase the technological feasibility of using liquid-like, low vapor pressure NOHMs as a next generation sorbent for the direct air capture of CO2.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Iodine Capture Studies of Copper- and Bismuth-Based Sorbents

The release of radioiodine, one of several radionuclides of concern when recycling used nuclear fuel (UNF), is an important consideration in the fuel cycle. In this study, two sorbent materials, Cu 0 -polyacrylonitrile (PAN) and Bi 0 -PAN, were tested as solid sorbent candidates for iodine capture. Experiments using a thin bed of sorbent material were exposed to vaporized iodine for over 300 hours (~2 weeks) under varied conditions in a dynamic flow environment. The overall performance was monitored in real-time using thermogravimetric analysis, and the materials were subsequently characterized for surface and bulk analysis using scanning electron microscopy – energy-dispersive spectroscopy (SEM-EDS) and powder x-ray diffraction (pXRD), respectively. Iodine (in the form of I 2 ) is expected to be released primarily in the dissolver off-gas (DOG) stream; therefore, this study demonstrates the effects of elemental iodine (I 2 ), water vapor (H 2 O), and nitrogen dioxide (NO 2 ). When exposed to ‘ideal’ conditions (in which I 2 is carried by dry air), Cu 0 -PAN and Bi 0 -PAN behave differently, with TGA analysis indicating that Cu 0 sorption performance is higher than that of Bi 0 , as evidenced by a larger mass change. Under ‘harsh’ conditions—such as a gaseous feed containing I 2 , H 2 O, and NO 2 vapors carried by air,—iodine capture performance for both Cu 0 - and Bi 0 -PAN are affected. SEM-EDS and pXRD analysis of these materials is discussed herein.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2003

Performance Evaluation and Software Design for EVA Robotic Assistant Stereo Vision Heads

The purpose of this project was to aid the EVA Robotic Assistant project by evaluating and designing the necessary interfaces for two stereo vision heads - the TracLabs Biclops pan-tilt-verge head, and the Helpmate Zebra pan-tilt-verge head. The first half of the project consisted of designing the necessary software interface so that the other modules of the EVA Robotic Assistant had proper access to all of the functionalities offered by each of the stereovision heads. This half took most of the project time, due to a lack of ready-made CORBA drivers for either of the heads. Once this was overcome, the evaluation stage of the project began. The second half of the project was to take these interfaces and to evaluate each of the stereo vision heads in terms of usefulness to the project. In the key project areas such as stability and reliability, the Zebra pan-tilt-verge head came out on top. However, the Biclops did have many more advantages over the Zebra, such as: lower power consumption, faster communications, and a simpler, cleaner API. Overall, the Biclops pan-tilt-verge head outperformed the Zebra pan-tilt-verge head.

DiPaolo, Daniel↗
NASA NTRS2009

Development of a Methodology to Gather Seated Anthropometry in a Microgravity Environment

The Constellation Program's Crew Exploration Vehicle (CEV) is required to accommodate the full population range of crewmembers according to the anthropometry requirements stated in the Human-Systems Integration Requirement (HSIR) document (CxP70024). Seated height is one of many critical dimensions of importance to the CEV designers in determining the optimum seat configuration in the vehicle. Changes in seated height may have a large impact to the design, accommodation, and safety of the crewmembers. Seated height can change due to elongation of the spine when crewmembers are exposed to microgravity. Spinal elongation is the straightening of the natural curvature of the spine and the expansion of inter-vertebral disks. This straightening occurs due to fluid shifts in the body and the lack of compressive forces on the spinal vertebrae. Previous studies have shown that as the natural curvature of the spine straightens, an increase in overall height of 3% of stature occurs which has been the basis of the current HSIR requirements. However due to variations in the torso/leg ratio and impact of soft tissue, data is nonexistent as to how spinal elongation specifically affects the measurement of seated height. In order to obtain this data, an experiment was designed to collect spinal elongation data while in a seated posture in microgravity. The purpose of this study was to provide quantitative data that represents the amount of change that occurs in seated height due to spinal elongation in microgravity environments. Given the schedule and budget constraints of ISS and Shuttle missions and the uniqueness of the problem, a methodology had to be developed to ensure that the seated height measurements were accurately collected. Therefore, simulated microgravity evaluations were conducted to test the methodology and procedures of the experiment. This evaluation obtained seat pan pressure and seated height data to a) ensure that the lap restraint provided sufficient restraint to eliminate any gap between the subject s gluteal surface and the seat pan and b) to document any necessary design and procedural changes needed due to the microgravity environment. The methodology and setup used during the simulated microgravity evaluations was replicable to the proposed methodology and setup for in-space missions. A flight-like Shuttle seat, pressure sensors, anthropometer, and existing hardware was used to measure seated height and contact area while experiencing microgravity. The outlying buttock and thigh surface contact areas were collected to determine if the subjects were in contact with the seat pan, while a measurer recorded their seated height with an anthropometer. The Anthropometry and Biomechanics Facility (ABF) completed data collection from three microgravity flights to assess the restraint methods and techniques to be used for the in-flight procedures performed by the crewmembers in orbit. The first flight demonstrated that the restraint system on the seat, used in a nominal configuration, did not sufficiently restrain a person in the seat. The results showed the subjects were not in full contact with the seat pan, resulting in inaccurate sitting height data. Thus, a second flight was conducted to test different restraint system options. The results showed that by 1) changing the restraint system from the nominal 3-points of the 5-point harness, which is used for crewmembers when fully suited with emergency equipment, and 2) rerouting the lap straps around the joint of the backrest, where the backrest and seat pan are joined, resulted in the optimal method to restrain a subject. This rerouting method allowed for the anchor location to change and pull the subjects back into the seat instead of being anchored at the side of the subjects thighs. The results from the third flight validated the final restraint system, which resulted in a verified methodology for collecting seated anthropometry to ultimately determine the amount of spil elongation in a microgravity environment.

Rajulu, Sudhakar↗
DOE OSTI2024

Copper and bismuth-based sorbent characterization in simulated iodine off-gas streams

The effective capture of volatile radioiodine, a fission product present in used nuclear fuel (UNF), is of paramount importance for development of used fuel reprocessing schemes to prevent release of radioiodine during unit operations and to meet regulatory standards for air emissions. A well-studied method for iodine capture in off-gas streams is the use of silver-functionalized zeolite phases (AgZ), which exploit chemisorption of I to Ag. Advances into other Ag-functionalized materials, including aerogels and metal organic frameworks (MOFs), are underway [1]. Additional metals with the capability to chemisorb iodine, including Cu, Bi, and Sn, [1] are being evaluated as alternatives to Ag for potential applicability to iodine management in off-gas systems. The design of novel functionalized sorbents with Cu and Bi, including composites with metal particles embedded in PAN substrates [2] and composites with metal sulfides embedded in PAN [3], is an ongoing area of study for improved iodine capture. Previously reported work on novel PAN-based metal sorbents has provided the synthesis, characterization, and iodine capture efficiency of this new class of sorbent. Specifically, the metal sulfide PAN composites are found to be easy to produce and reproduce, as well as having a high iodine loading potential under static conditions [3]. Due to the favorable testing previously performed with metal sulfide PAN composites, further testing into the performance of these composites under gas streams containing I2(g) in combination with NO2(g) and H2O(g) is needed. Humid streams of NO2(g) may arise from dissolver off-gas streams, when used fuel is dissolved in HNO3(aq) [4]. NO2(g) has been found to reduce AgZ sorption capacity for I because of oxidation of Ag, the chemisorbing agent, to Ag2O [5]. It follows that performance evaluation of novel sorbents under highly oxidizing conditions such as NO2(g) streams is critical. Therefore, the objective of this study is to determine the effect of flowing NO2(g) and H2O(g) streams on iodine sorption capacity and sorbent performance. This work utilizes custom-built gas handling capabilities for sorbent exposure along with solid-state characterization techniques to assess the physical and chemical properties of sorbents before and after exposure.

copper, bismuth, iodine capture, iodine sorbent, p↗
DOE OSTI2024

Experimental and modeling study of the effect of confinement on the thermal decomposition of organic materials

Simultaneous Thermal Analysis is widely used to study thermal decomposition of a variety of organic materials, and the choice of experimental conditions is very important to obtain reliable mass loss and heat flow curves. Here in this work we investigate the effect of confinement on the thermal decomposition of organic materials. As an example, we explore high-density polyethylene (HDPE) and one of its pyrolysis products, namely eicosane (C 20 H 42 ), through experiments and modeling in open crucibles and crucibles closed with a pierced lid. A new model is developed for evaporation and sublimation from open and pinhole thermal-analysis pans. It considers the kinetic resistance of evaporation at the liquid-vapor interface, inhibition of evaporation by buildup of vapor inside the pan, thermal expansion of vapor inside the pan, and diffusion of vapor from the pan. The model is validated using simultaneous heat-flow and mass-loss measurements of n-eicosane evaporation for various pinhole sizes, down to 50 µm. The importance of product evaporation inhibition for measuring polymer decomposition was demonstrated using HDPE. This study sheds light on the effect of confinement on the mass loss rate of organic materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Cost-effective carbon fiber precursor selections of polyacrylonitrile-derived blend polymers: carbonization chemistry and structural characterizations

Blending polyacrylonitrile (PAN) with plastic wastes and bio-based polymers provides a convenient and inexpensive method to realize cost-effective carbon fiber (CF) precursors. In this work, PAN-based blend precursors are investigated using ReaxFF reactive molecular dynamics simulations with respect to the formation of all-carbon rings, the evolutions of oxygen-containing and nitrogen-containing species, and the migration of carbon atoms to form turbostratic graphene. From these simulations, we identify that PAN/cellulose (CL) blend manifests the highest carbon yield and the most substantial all-carbon ring formation. This ReaxFF-based finding is confirmed by Raman and TEM experiments indicating high crystallinity for PAN/CL-derived blend CFs. We trace the pathway of gasification and carbonization of PAN/CL to elaborate the mechanism of the formation of all-carbon ring networks. We discover that the acetals of CL can catalyze the cyclization of the blend precursor, allowing for the search for CL derivatives or the other kinds of bio-based polymers with similar functionalities as alternative blends. In addition, we examine the structural characteristics using the carbon–carbon (C–C) radial distribution functions, C–C bond length distributions, and sp2 C atom ratios for the four representative precursors, i.e., PAN, oxidized PAN, PAN/nylon 6,6, and PAN/CL. Our simulation results show the most extensive all-carbon ring cluster and graphitic structure growths for PAN/CL. Here, we propose PAN/CL as a cost-effective alternative CF precursor, since (a) CL is naturally abundant and eco-friendly for production, (b) the blend precursor PAN/CL does not require oxidation treatment, (c) PAN/CL has a high carbon yield with substantial all-carbon ring formation, and (d) PAN/CL based CFs potentially provide a mechanical property enhancement.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Cold Climate Field Study of the Effect of Defrost Controls on the Integrated Performance of a Ductless Air-Source Heat Pump

Residential heat pumps have advanced over the past decade to allow for operation at colder temperatures. However, the challenges of frost accumulation and defrosting the outdoor coil remain. The goal of this study was to evaluate the impact of the control algorithms that determine when a heat pump needs to defrost and when the base pan heater runs on the overall heating efficiency of the heat pump. In this study, which occurred during the 2023–2024 heating season, we measured the performance of a ductless air-source heat pump installed in Fairbanks, Alaska, USA. The heat pump was instrumented to measure the electrical input and the thermal output, as well as selected internal variables and indoor and outdoor environmental conditions. The heat pump was first operated with factory default control algorithms associated with the initiation of defrost and control of the base pan heater. These factory default algorithms focused on aggressively defrosting the outdoor coil and keeping the base pan ice-free. In the middle of the winter, these algorithms were changed to focus on reducing defrost cycles and increasing efficiency, while the heat pump continued to be operated and monitored. The results showed that significant increases in efficiency are possible by improving the defrost and base pan heater control algorithms.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

Structure, properties, and applications of polyacrylonitrile/carbon nanotube ( CNT ) fibers at low CNT loading

Abstract Bi‐component, polyacrylonitrile (PAN)/carbon nanotube (CNT) fibers were processed, at different core‐sheath area ratios, by gel spinning. A percolated CNT network at 10 wt% CNT in the sheath enhanced electrical conductivity as compared to the neat PAN fiber, while PAN polymer in the core contributed to the good mechanical properties. Fibers with relatively thin sheath allowed overall CNT loading as low as 3.7 wt% to be made with good electrical conductivity, and PAN stabilization by Joule heating was demonstrated. Such fibers with combined good mechanical properties and electrical conductivity can also potentially be used for electrical heating of fabrics, for making smart textiles, and for electromagnetic interference shielding.

Lu, Mingxuan↗
DOE OSTI2025

Technoeconomic and life cycle energy analysis of carbon fiber manufactured from coal via a novel solvent extraction process

Coal is a versatile energy resource and was a driver of the industrial revolution that transformed the economies of Europe and North America and the trajectory of civilization. In this work, a technoeconomic analysis was performed for a coal-to-carbon-fiber manufacture process developed at the University of Kentucky’s Center for Applied Energy Research. According to this process, coal, with decant oil as the solvent, was converted to mesophase pitch via solvent extraction, and the mesophase pitch was subsequently converted to carbon fiber. The total cost to produce carbon fibers from coal and decant oil via the solvent extraction process was estimated to be $\$$11.50/kg for 50,000-tow pitch carbon fiber with a production volume of 3750 MT/year. The estimated carbon fiber cost was significantly lower than the current commercially available PAN-based carbon fiber price ($\$$20–$\$$30/kg). With decant oil recycling rates of 50% and 70% in the solvent extraction process, the manufacturing cost of carbon fiber was estimated to be $\$$9.90/kg and $\$$9.50/kg of carbon fiber, respectively. A cradle-to-gate energy assessment revealed that carbon fiber derived from coal exhibited an embodied energy of 510 MJ/kg, significantly lower than that of conventionally produced carbon fiber from PAN. This notable difference is primarily attributed to the substantially higher conversion rate of coal-based mesophase pitch fibers into carbon fiber, surpassing PAN fibers by 1.6 times. These findings indicate that using coal for carbon fiber production through solvent extraction methods could offer a more energy-efficient and cost-competitive alternative to the traditional PAN based approach.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2020

Multi-hydrophilic functional network enables porous membranes excellent anti-fouling performance for highly efficient water remediation

Membrane technology is believed as a cost-effective approach for solving the water issues, where as it suffers from serious membrane fouling. Surface grafting and surface coating have been proved to be effective in abating the membrane fouling; however, these processes always need additional procedures and compromise the initial permeance of the membranes. Herein, we developed a kind of highly permeable polyacrylonitrile (PAN) membranes with excellent anti-fouling performance through one-step phase inversion of the PAN casting solution containing water-soluble active additives. During the process, the water-soluble active additives could segregate towards the membrane surface and pore walls; thereby finely tailoring the pore structures of the PAN-based membranes. Moreover, the active additives could react with each other to form crosslinked networks containing multi-hydrophilic functional groups including CH2-O-CH2, -OH or-Si-OH. Consequently, the PAN-based membranes exhibited surprising superhydrophilicity with water contact angle below 10. even after soaking in water for one week and the anti-fouling permeance of the membranes increased significantly with permeance recovery rate above 93%. Interestingly, the modified membranes also demonstrated both high permeances and high separation efficiency, thereby showing strong promise in water environmental remediation including wastewater treatment and oil/water emulsion separation.

Anti-fouling↗
DOE OSTI2020

Ultrastructures and Mechanics of Annealed Nephila clavipes Major Ampullate Silk

The semicrystalline protein structure and impressive mechanical properties of major ampullate (MA) spider silk make it a promising natural alternative to polyacrylonitrile (PAN) fibers for carbon fiber manufacture. However, when annealed using a similar procedure to carbon fiber production, the tensile strength and Young’s modulus of MA silk decrease. Despite this, MA silk fibers annealed at 600 °C remain stronger and tougher than similarly annealed PAN but have a lower Young’s modulus. Although MA silk and PAN graphitize to similar extents, annealing disrupts the hydrogen bonding that controls crystal alignment within MA silk. Consequently, unaligned graphite crystals form in annealed MA silk, causing it to weaken, while graphite crystals in PAN maintain alignment along the fiber axis, strengthening the fibers. Finally, these shortcomings of spider silk when annealed provide insights into the selection and design of future alternative carbon fiber precursors.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Comparison of quantum advantage experiments using random circuit sampling

Random circuit sampling, the task of sampling bit strings from a random unitary operator, has been implemented to demonstrate quantum advantage on the Sycamore quantum processor with 53 qubits and on the Zuchongzhi quantum processor with 56 and 61 qubits. Recently, it was claimed that classical computers using tensor network simulation could catch on to current noisy quantum processors for random circuit sampling. While the linear cross-entropy benchmark fidelity was used to certify all these claims, it may not capture statistical properties of outputs in detail. Here, we compare the bit strings sampled from classical computers using tensor network simulation by Pan et al. [F. Pan, K. Chen, and P. Zhang, Phys. Rev. Lett. 129, 090502 (2022)] and by Kalachev et al. [G. Kalachev, P. Panteleev, P. Zhou, and M.-H. Yung, arXiv:2112.15083] with the bit strings from the Sycamore quantum processor. It is shown that all of Kalachev et al.'s samples passed the NIST random number tests. The heat maps of bit strings show that Pan et al.'s and Kalachev et al.'s samples are quite different from the Sycamore or Zuchongzhi samples. The analysis with the Marchenko-Pastur distribution and the Wasssertein distances demonstrates that Kalachev et al.'s samples are statistically closer to the Sycamore samples than Pan et al.'s while the three datasets have similar values for the linear cross-entropy fidelity. In conclusion, our finding implies that further study is needed to certify or beat the claims of quantum advantage using random circuit sampling.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗