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At least 793 records · Page 44

Survival of falling robots

As mobile robots are used in more uncertain and dangerous environments, it will become important to design them so that they can survive falls. In this paper, we examine a number of mechanisms and strategies that animals use to withstand these potentially catastrophic events and extend them to the design of robots. A brief survey of several aspects of how common cats survive falls provides an understanding of the issues involved in preventing traumatic injury during a falling event. After outlining situations in which robots might fall, a number of factors affecting their survival are described. From this background, several robot design guidelines are derived. These include recommendations for the physical structure of the robot as well as requirements for the robot control architecture. A control architecture is proposed based on reactive control techniques and action-oriented perception that is geared to support this form of survival behavior.

Cameron, Jonathan M.↗

A rheological model for loose sands with insights from DEM

A rheological model for loose granular media is developed to capture both solid-like and fluid-like responses during shearing. The proposed model is built by following the mathematical structure of an extended Kelvin–Voigt model, where an elastic spring and plastic slider act in parallel to a viscous damper. This arrangement requires the partition of the total stress into rate-independent and rate-dependent stress components. To model the solid-like behavior, a simple frictional plasticity model is adopted without modifications, thus contributing to the rate-independent stress. Instead, the fluid-like or rate-dependent stress is further decomposed into deviatoric and volumetric parts, by proposing a new formulation based on a combination of the μ(I) relation, originally developed under pressure-controlled shear, with a pressure-shear rate relation derived under volume-controlled shear. The proposed formulation allows the model to capture both the increase in the friction coefficient and the enhanced dilation at high shear rates. High-fidelity simulation data, obtained from discrete element method and multiscale modelling, are used to evaluate the performance of the proposed constitutive model. The model provides accurate results under both drained and undrained simple shear paths across a wide range of shear rates. Furthermore, it successfully reproduces at much lower computational cost the flowslide mobility computed through multiscale simulations, which is primarily regulated by the shear rate dependence of the material properties during the dynamic runout stage.

Elasticity↗

Analytic model of the remobilization of pinned glide dislocations: Including dislocation drag from phonon wind

Here, we discuss the effect of a non-constant dislocation drag coefficient on the very high strain rate regime within an analytic model describing mobile-immobile dislocation intersections applicable to fcc polycrystals. Based on previous work on dislocation drag, we estimate its temperature and pressure dependence and its effects on stress–strain rate relations. In the high temperature regime, we show that drag can remain the dominating effect even down to intermediate strain rates. We also discuss the consequences of having a limiting dislocation velocity, a feature which is typically predicted by analytic models of dislocation drag, but which is somewhat under debate because a number of MD simulations predict supersonic dislocations.

42 ENGINEERING↗

Incorporating Electrochemical Halide Oxidation into Drift-Diffusion Models to Explain Performance Losses in Perovskite Solar Cells under Prolonged Reverse Bias

Partial shading of a solar module can induce a set of cells within the module to operate under reverse bias. Studies have shown that metal halide perovskite solar cells with a wide variety of compositions and contacts exhibit interesting behavior in reverse bias that includes both reversible performance loss and non-reversible degradation. In this paper, an advanced drift-diffusion approach incorporating an electrochemical term to explain the short-circuit, open circuit and fill factor losses that are experimentally measured after prolonged reverse bias is used. It is shown that holes can tunnel into the perovskite due to sharp band bending near the contact, accumulate within the bulk of the perovskite absorber, and trigger the oxidation of halides to form neutral halogens. The density of neutral halogens is much higher in reverse bias because there are hardly any electrons available to reduce the iodine. The resulting halogens act as bulk recombination centers. While the interstitial halogen density does decay when the cell is operated in forward bias, permanent degradation can occur if the iodine diffuses out of the perovskite layer. Finally, the ways in which changing parameters such as the mobile ion density or the series resistance at the contact can influence device performance and stability are discussed.

degradation↗

Analytic model of dislocation density evolution in fcc polycrystals accounting for dislocation generation, storage, and dynamic recovery mechanisms

Here, an analytic model of the evolution of dislocation density in fcc polycrystals is described. The evolution equations approximately account for most known dislocation storage, dynamic recovery, and dislocation generation mechanisms in fcc polycrystals. Specifically, the model incorporates network (forest) and grain boundary storage, mobile-network and mobile–mobile annihilation, screw–screw annihilation via athermal and thermal single cross-slip, generation by double cross-slip (Koehler mechanism, including dipole formation), Frank-Read sources, grain boundary nucleation, and mobile–immobile dislocation nucleation due to shock loading. Single cross-slip is assumed to proceed through the Friedel–Escaig (FE) mechanism; the corresponding activation energy is calculated using a modified FE model. The activation energy for double cross-slip is calculated for the first time by extending the FE model. The exact evolution equations are integro-differential equations, and as such are difficult to implement in a code; hence, the evolution equations are simplified by making several approximations. Preliminary results on copper are presented, including comparisons to experimental data.

36 MATERIALS SCIENCE↗

The Cam Shell: An Innovative Design With Materials and Manufacturing

Most of the personal audio and video recording devices currently sold on the open market all require hands to operate. Little consideration was given to designing a hands-free unit. Such a system once designed and made available to the public could greatly benefit mobile police officers, bicyclists, adventurers, street and dirt motorcyclists, horseback riders and many others. With a few design changes water sports and skiing activities could be another large area of application. The cam shell is an innovative design in which an audio and video recording device (such as palm camcorder) is housed in a body-mounted protection system. This system is based on the concept of viewing and recording at the same time. A view cam is attached to a helmet wired to a recording unit encased in a transparent body-mounted protection system. The helmet can also be controlled by remote. The operator will have full control in recording everything. However, the recording unit will be operated completely hands-free. This project will address the design considerations and their effects on material selection and manufacturing. It will enhance the understanding of the structure of materials, and how the structure affects the behavior of the material, and the role that processing play in linking the relationship between structure and properties. A systematic approach to design feasibility study, cost analysis and problem solving will also be discussed.

Chung, W. Richard↗

Influence of side-chain isomerization on the isothermal crystallization kinetics of poly(3-alkylthiophenes)

Flexible alkyl side chain in conjugate polymers (CPs) improves the solubility and promotes solution processability, in addition, it affects interchain packing and charge mobilities. Despite the well-known charge mobility and morphology correlation for these semi-crystalline polymers, there is a lack of fundamental understanding of the impact of side chain on their crystallization kinetics. In the present work, isothermal crystallization of five poly(3-alkylthiophene-2,5-diyl) (P3ATs) with different side-chain structures were systematically investigated. To suppress the extremely fast crystallization and trap the sample into amorphous glass, an advanced fast scanning chip calorimetry technique, which is able to quench the sample with few to tens thousands of K/s, was applied. Results show that the crystallization of P3ATs was greatly inhibited after incorporation of branched side chains, as indicated by a dramatic up to six orders of magnitude decrease in the crystallization rate. The suppressed crystallization of P3ATs were correlated with an increased π–π stacking distance due to unfavorable side-chain steric interaction. This research provides a pathway to use side-chain engineering to control the crystallization behavior for CPs, thus to control device performance.

36 MATERIALS SCIENCE↗

Arthromitus (Bacillus cereus) symbionts in the cockroach Blaberus giganteus: dietary influences on bacterial development and population density

The filamentous spore-forming bacterium Arthromitus, discovered in termites, millipedes, sow bugs and other soil-dwelling arthropods by Leidy (1850), is the intestinal stage of Bacillus cereus. We extend the range of Arthromitus habitats to include the hindgut of Blaberus giganteus, the large tropical American cockroach. The occurrence and morphology of the intestinal form of the bacillus were compared in individual cockroaches (n=24) placed on four different diet regimes: diurnally maintained insects fed (1) dog food, (2) soy protein only, (3)purified cellulose only, and (4) a dog food-fed group maintained in continuous darkness. Food quality exerted strong influence on population densities and developmental stages of the filamentous bacterium and on fecal pellet composition. The most dramatic rise in Arthromitus populations, defined as the spore-forming filament intestinal stage, occurred in adult cockroaches kept in the dark on a dog food diet. Limited intake of cellulose or protein alone reduced both the frequency of Arthromitus filaments and the rate of weight gain of the insects. Spores isolated from termites, sow bugs, cockroaches and moths, grown on various hard surfaces display a branching mobility and resistance to antibiotics characteristic to group I Bacilli whose members include B. cereus, B. circulans, B. alvei and B. macerans. DNA isolated from pure cultures of these bacilli taken from the guts of Blaberus giganteus (cockroach), Junonia coenia (moth), Porcellio scaber (sow bug) and Cryptotermes brevis (termite) and subjected to Southern hybridization with a 23S-5S B. subtilis ribosomal sequence probe verified that they are indistinguishable from laboratory strains of Bacillus cereus.

NASA Discipline Exobiology↗

An Application of Flexible Multibody Simulations to Space Launch Systems Liftoff Pad Separation and Umbilical Disconnect

A flexible multibody dynamics approach is applied to the Space Launch System (SLS) liftoff Coupled Loads Analysis (CLA), enabling the inclusion of a large array of component nonlinearities with extreme computational efficiency. The nonlinearities include the cryogenic induced preloads due to the large rotations of the aft struts connecting the Core Stage (CS) to the boosters, the contact/separation and potential re-contact at the booster aft skirt to Mobile Launcher(ML) interface, contact/separation and potential re-contact at the ML/extensible columns interfaces, secondary disconnect of the CS umbilicals including the LOX and LH2 Tail Service Mast Umbilicals (TSMUs), and the disconnect of the upper stage umbilical, the Interim Cryogenic Propulsion Stage Umbilical (ICPSU). The ICPSU disconnect involves algorithms simulating the winch motors reeling lanyard ropes, the nonlinear modeling of ropes and hoses, the disconnect and capture of multiple umbilical ground plates by catch-nets (geometrically nonlinear models), and the large rotations of the ML gantry in order to track clearances between the lifting SLS vehicle and umbilicals rotating out of the way. The flexible multibody dynamics framework utilized for these simulations provided a systematic and efficient framework for adding complex nonlinearities at the system level which would have otherwise not been possible in standard CLAs or would have to be treated by separate local analyses thereby not accounting for the coupled system behavior.

Application↗

Molecular insights into Yb(III) speciation in sulfate-bearing hydrothermal fluids from X-ray absorption spectra informed by ab initio molecular dynamics

Rare earth elements (REEs) are critical for advanced technologies, yet in hydrothermal aqueous solutions the molecular level details of their interaction with ligands that control their geochemical transport and deposition remain poorly understood. Here, this study elucidates the coordination behavior of Yb 3+ in sulfate-rich hydrothermal fluids using in situ extended X-ray absorption fine structure (EXAFS) spectroscopy and ab initio molecular dynamics (AIMD) simulations. By integrating multi-angle EXAFS with AIMD-derived constraints, we precisely resolve Yb 3+ coordination structures and ligand interactions under hydrothermal conditions. At room temperature, Yb 3+ is coordinated by five water molecules and two sulfate ligands (coordination number, CN = 8), forming a distorted square antiprism geometry. Increasing temperature induces progressive dehydration, reducing the hydration shell and favoring stronger sulfate complexation. At 200°C, sulfate ligands reorganize around Yb 3+ , shifting its geometry to a capped octahedron (CN = 7). At 300 °C, sulfate binding dominates, leading to structural reorganization that parallels the onset of sulfate mineral precipitation, consistent with the retrograde solubility of REE sulfates. These findings provide direct molecular-scale evidence that sulfate acts as both a transport and deposition ligand, critically influencing REE mobility in geochemical environments. Our results can also help to refine thermodynamic models of REE speciation in high-temperature hydrothermal fluids and improve our understanding of REE ore formation processes in nature.

AIMD↗

RouteE: A Vehicle Energy Consumption Prediction Engine

The emergence of connected and automated vehicles and smart cities technologies create the opportunity for new mobility modes and routing decision tools, among many others. To achieve maximum mobility and minimum energy consumption, it is critical to understand the energy cost of decisions and optimize accordingly. The Route Energy prediction model (RouteE) enables accurate estimation of energy consumption for a variety of vehicle types over trips or sub-trips where detailed drive cycle data are unavailable. Applications include vehicle route selection, energy accounting and optimization in transportation simulation, and corridor energy analyses, among others. The software is a Python package that includes a variety of pre-trained models from the National Renewable Energy Laboratory (NREL). However, RouteE also enables users to train custom models using their own data sets, making it a robust and valuable tool for both fast calculations and rigorous, data-rich research efforts. The pre-trained RouteE models are established using NREL's Future Automotive Systems Technology Simulator paired with approximately 1 million miles of drive cycle data from the Transportation Secure Data Center, resulting in energy consumption behavior estimates over a representative sample of driving conditions for the United States. Validations have been performed using on-road fuel consumption data for conventional and electrified vehicle powertrains. Transferring the results of the on-road validation to a larger set of real-world origin-destination pairs, it is estimated that implementing the present methodology in a green-routing application would accurately select the route that consumes the least fuel 90% of the time. The novel machine learning techniques used in RouteE make it a flexible and robust tool for a variety of transportation applications.

47 OTHER INSTRUMENTATION↗

Structures of HIV-1 Neutralizing Antibody 10E8 Delineate the Mechanistic Basis of Its Multi-Peak Behavior on Size-Exclusion Chromatography

Antibody 10E8 is capable of effectively neutralizing HIV through its recognition of the membrane-proximal external region (MPER), and a suitably optimized version of 10E8 might have utility in HIV therapy and prophylaxis. However, 10E8 displays a three-peak profile on size-exclusion chromatography (SEC), complicating its manufacture. Here we show cis-trans conformational isomerization of the Tyr-Pro-Pro (YPP) motif in the heavy chain 3rd complementarity-determining region (CDR H3) of antibody 10E8 to be the mechanistic basis of its multipeak behavior. We observed 10E8 to undergo slow conformational isomerization and delineate a mechanistic explanation for effective comodifiers that were able to resolve its SEC heterogeneity and to allow an evaluation of the critical quality attribute of aggregation. We determined crystal structures of single and double alanine mutants of a key di-proline motif and of a light chain variant, revealing alternative conformations of the CDR H3. We also replicated both multi-peak and delayed SEC behavior with MPER-antibodies 4E10 and VRC42, by introducing a Tyr-Pro (YP) motif into their CDR H3s. Our results show how a conformationally dynamic CDR H3 can provide the requisite structural plasticity needed for a highly hydrophobic paratope to recognize its membrane-proximal epitope.

60 APPLIED LIFE SCIENCES↗

In-situ L-TEM observations of dynamics of nanometric skyrmions and antiskyrmions

Nanometer-scale magnetic skyrmions and antiskyrmions exhibit unique dynamical behaviors in response to external stimuli, which are critical for their applications in low-power-consumption spintronic devices. This review discusses recent advancements in in-situ Lorentz transmission electron microscopy (L-TEM) observations of skyrmion and antiskyrmion dynamics, and demonstrates the manipulation and evolution of these textures in various magnetic materials under electric, magnetic, and thermal stimuli. Specifically, the motion tracking of single skyrmions and their clusters, and the deformation and transformation of skyrmions has been demonstrated in chiral helimagnets FeGe, Co 9 Zn 9 Mn 2 , and Co 10 Zn 10 with precise application of electric currents. Skyrmions can undergo dynamic transitions in current-driven skyrmion motions, from pinned states to linear flows, and even exhibit deformation into elliptical shapes, underscoring their topological robustness and dynamic flexibility. In addition, the manipulation of single antiskyrmions and antiskyrmion-lattice phases in (Fe 0.63 Ni 0.3 Pd 0.07 ) 3 P with S 4 symmetry is discussed, highlighting their high mobility and unique sliding capabilities along stripe domains at room temperature, facilitated by nanosecond pulsed electric currents. Finally, the temperature gradient-driven motion and topological transformation of elliptical skyrmions and antiskyrmions in this same material are investigated. In conclusion, the comprehensive insights gained from the L-TEM imaging technique are pivotal in advancing the design and functionality of next-generation skyrmion/antiskyrmion-based spintronic devices.

(Anti)skyrmion↗

Stimulus-Responsive Modulation of Solvation Environments in Solid Catalysts

Liquid environments play a crucial role in the biological processes occurring in living organisms as well as in many human-made processes involving electrochemistry, photo-, and thermocatalysis. In the majority of these systems, aqueous phases are ubiquitous due to water’s natural abundance. Water molecules, however, can exert large changes in the chemical environment of catalytically active sites, altering the reaction rates, selectivity, and catalyst stability. These solvation effects induced by water molecules near catalytic sites can drastically change the energy landscape and unlock unique reaction pathways with far more favorable kinetics. In nature, living organisms couple these complex interactions with detection, communication, and actuation mechanisms to induce self-regulatory behavior, ensuring stability of the system and thus long-term durability. Extrapolating this behavior to heterogeneous catalysis is desirable because the resulting “smart materials” can potentially unlock new chemical conversion processes with higher atom efficiency, rates, and stability. The combination of polymer chemistry and heterogeneous catalysis has introduced versatile approaches for creating materials that can respond to cues in the reaction medium that alter the accessibility, intrinsic activity, and selectivity of the catalyst. To achieve this, one could combine stimulus-responsive polymers, which undergo a large volumetric phase transition in response to an external stimulus, with a solid catalyst. This chemo-mechanical response has been employed to create a variety of nanoreactor vessels with stimulus-responsive character that turn on- and off- depending on the reaction conditions. In this Account, we focus on the impact of these polymer coatings on the solvation environment around the active site and the implications of these effects on the reaction energy landscape, molecular arrangement of the solvent, electric fields at the catalyst–liquid interface, binding energy, and mobility of surface reaction intermediates. These seemingly subtle changes in solvent molecules induced by the presence of polymers can have a tremendous impact on the development of bioinspired heterogeneous catalysts, reliable chemical clocks, micro/nanoreactors, and robots. The large library of polymer chemistries offers a plethora of combinations of stimulus-responsive mechanisms (e.g., temperature, pH, light, magnetic field, solvent composition), providing the possibility of creating homeostatic catalysts à la carte.

catalysts↗

Molecular dynamics study of interstitial He clusters in nickel

This study presents a molecular dynamics analysis focusing on the behavior of interstitial helium (He) clusters in nickel (Ni), examining their formation, stability, and migration energetics. Consistent with previous research, we found that the binding energies of interstitial helium within a helium cluster are positive and increase with the cluster size, indicating a preference for helium atoms to cluster together. However, our findings also reveal that while the formation energy increases monotonically with cluster size, the increase in binding energy is non-monotonic. Importantly, small He clusters were observed to be thermally unstable at reactor operational temperatures (approximately 600 K), with the He 2 cluster exhibiting instability even at room temperature. With a binding energy of 0.49 eV for a He 4 cluster, we hypothesize that for helium bubbles to form via homogeneous nucleation (i.e., through trap mutation) at reactor operating temperatures, the helium concentration must be high enough to facilitate the formation of helium clusters of at least size 4 or larger. As expected, interstitial helium and small helium clusters are highly mobile. This mobility was observed not only at room temperature but also at temperatures as low as approximately 200 K. Furthermore, the mean squared displacement method has been utilized to determine the migration barriers and the corresponding prefactors for clusters ranging from He 1 to He 6

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

2015 Sensorimotor Risk Standing Review Panel Evidence and Status Review For: the Risk of Impaired Control of Spacecraft/Associated Systems and Decreased Mobility Due to Vestibular/Sensorimotor Alterations Associated with Spaceflight

The 2015 Sensorimotor Risk Standing Review Panel (from here on referred to as the SRP) participated in a WebEx/teleconference with members of the Human Health Countermeasures (HHC) Element, representatives from the Human Research Program (HRP), NASA Headquarters, and NASA Research and Education Support Services (NRESS) on December 17, 2015 (list of participants is in Section VI of this report). The SRP reviewed the new Evidence Report for the Risk of Impaired Control of Spacecraft/Associated Systems and Decreased Mobility Due to Vestibular/Sensorimotor Alterations Associated with Spaceflight (from here on referred to as the 2015 Sensorimotor Evidence Report), and also received a status review of the Risk. The opening section of the 2015 Sensorimotor Evidence Report provides written descriptions of various incidents that have occurred during space missions. In most of these incidents, the main underlying contributing factors are not easy to identify unambiguously. For example, in section 1.9, a number of falls occurred while astronauts were walking on the moon. It is not clear to the SRP, however, why they fell. It is only possible to extrapolate from likely specific psychophysical or physiological abnormalities, but how these abnormalities were determined, and how they were directly responsible for the falls is unclear to the SRP. Section 2.1.2 on proprioception is very interesting, but the functional significance of the abnormalities detected is not clear. The SRP sees this as a problem throughout the report: a mapping between the component abnormalities identified and the holistic behaviors that are most relevant, for example, controlling the vehicle, and locomotion during egress, is generally lacking. The SRP thinks the cognitive section is too strongly focused on vestibular functioning. The SRP questions the notion that the main cognitive effects are mainly attributable to reversible vestibular changes induced by spaceflight. The SRP thinks that there can also be independent cognitive effects. The Functional Task Test (FTT) protocols and the Field Test are particularly valuable. The conclusion is that the unloading of major postural muscles experienced during spaceflight plays a central role in the alteration of functional task performance and balance control. This conclusion stands in contrast with the statements in other parts of the document that emphasize the role of vestibular changes on these functions. It would help to more fully integrate these two views on the predominant effects of spaceflight. Although the SRP thinks the countermeasures section is interesting, the proposed countermeasures are not well integrated with the abnormalities described in previous sections. The SRP thinks it would help enormously to have explicit links among each abnormality, its 2015 Sensorimotor Risk SRP Evidence Review Final Report 2 overall importance/impact on function, and the appropriate countermeasure that can be implemented to maintain adequate functioning.

Steinberg, Susan↗

A Summary of NASA Rotary Wing Research: Circa 2008–2018

The general public may not know that the first “A” in NASA stands for Aeronautics. If they do know, they will very likely be surprised that in addition to airplanes, the “A” includes research in helicopters, tiltrotors, and other vehicles adorned with rotors. There is, arguably, no subsonic air vehicle more difficult to accurately analyze than a vehicle with lift-producing rotors. No wonder that NASA has conducted rotary wing research since the days of the NACA and has partnered, since 1965, with the U.S. Army in order to overcome some of the most challenging obstacles to understanding the behavior of these vehicles. Since 2006, NASA rotary wing research has been performed under several different project names [Gorton et al., 2015]: Subsonic Rotary Wing (SRW) (2006–2012), Rotary Wing (RW) (2012–2014), and Revolutionary Vertical Lift Technology (RVLT) (2014–present). In 2009, the SRW Project published a report that assessed the status of NASA rotorcraft research; in particular, the predictive capability of NASA rotorcraft tools was addressed for a number of technical disciplines. A brief history of NASA rotorcraft research through 2009 was also provided [Yamauchi and Young, 2009]. Gorton et al. [2015] describes the system studies during 2009–2011 that informed the SRW/RW/RVLT project investment prioritization and organization. The authors also provided the status of research in the RW Project in engines, drive systems, aeromechanics, and impact dynamics as related to structural dynamics of vertical lift vehicles. Since 2009, the focus of research has shifted from large civil VTOL transports, to environmentally clean aircraft, to electrified VTOL aircraft for the urban air mobility (UAM) market. The changing focus of rotorcraft research has been a reflection of the evolving strategic direction of the NASA Aeronautics Research Mission Directorate (ARMD). By 2014, the project had been renamed the Revolutionary Vertical Lift Technology Project. In response to the 2014 NASA Strategic Plan, ARMD developed six Strategic Thrusts. Strategic Thrust 3B was defined as the “Ultra-Efficient Commercial Vehicles—Vertical Lift Aircraft.” Hochstetler et al. [2017] uses Thrust 3B as an example for developing metrics usable by ARMD to measure the effectiveness of each of the Strategic Thrusts. The authors provide near-, mid-, and long-term outcomes for Thrust 3B with corresponding benefits and capabilities. The importance of VTOL research, especially with the rapidly expanding UAM market, eventually resulted in a new Strategic Thrust (to begin in 2020): Thrust 4—Safe, Quiet, and Affordable Vertical Lift Air Vehicles. The underlying rotary wing analysis tools used by NASA are still applicable to traditional rotorcraft and have been expanded in capability to accommodate the growing number of VTOL configurations designed for UAM. The top-level goal of the RVLT Project remains unchanged since 2006: Develop and validate tools, technologies and concepts to overcome key barriers for vertical lift vehicles. In 2019, NASA rotary wing/VTOL research has never been more important for supporting new aircraft and advancements in technology. 2 A decade is a reasonable interval to pause and take stock of progress and accomplishments. In 10 years, digital technology has propelled progress in computational efficiency by orders of magnitude and expanded capabilities in measurement techniques. The purpose of this report is to provide a compilation of the NASA rotary wing research from ~2008 to ~2018. Brief summaries of publications from NASA, NASA-funded, and NASA-supported research are provided in 12 chapters: Acoustics, Aeromechanics, Computational Fluid Dynamics (External Flow), Experimental Methods, Flight Dynamics and Control, Drive Systems, Engines, Crashworthiness, Icing, Structures and Materials, Conceptual Design and System Analysis, and Mars Helicopter. We hope this report serves as a useful reference for future NASA vertical lift researchers.

Yamauchi, Gloria K.↗

From Electronic Structure to Ion Transport: Photoelectron Spectroscopy and Molecular Dynamics Simulations Reveal the Role of Anions in Lithium Battery Electrolytes

Electrolyte anions are pivotal for lithium battery performance, yet their fundamental electronic structural properties are not well understood. In this work, we employ a combination of negative-ion photoelectron spectroscopy (NIPES), ab initio calculations, and molecular dynamics (MD) simulations to investigate the electronic structures of three representative electrolyte anions. This multiscale approach enables us to elucidate how their intrinsic electronic properties govern anion–solvent interactions in gas-phase clusters, as well as lithium-ion (Li + ) solvation structures and ion transport behavior in the condensed phase. NIPES reveals that difluoro(oxalato)borate (DFOB – ), bis(fluorosulfonyl)imide (FSI – ), and bis(oxalato)borate (BOB – ) all exhibit high electron binding energies, with vertical/adiabatic detachment energies increasing from DFOB – (6.09/5.70 eV) to FSI – (6.80/6.10 eV) to BOB – (6.82/6.40 eV), correlating with enhanced oxidation stability. Ab initio calculations reveal that DFOB – /FSI – –solvent complexes bind Li + ∼ 10 kcal/mol stronger than BOB – series, aligning with the strength of a Li + –anion model. DFOB – exhibits pronounced charge localization on both oxygen and fluorine atoms, enabling their involvement in Li + coordination. In contrast, fluorine atoms in FSI – are largely electron-depleted and remain excluded from direct Li + binding. MD simulations further demonstrate that LiDFOB and LiFSI systems exhibit Li + diffusion coefficients three and five times higher than those of LiBOB across four common solvents. Notably, LiFSI salt in acetonitrile (AN) exhibits the fastest Li + diffusion among 12 electrolyte systems, highlighting the synergistic effect of FSI – and AN in promoting ion mobility. In conclusion, these findings provide a molecular-level understanding of the critical roles of anion and its microsolvation in optimizing Li + diffusion dynamics, once again emphasizing the positioning of FSI – and DFOB – as prime candidates for next-generation electrolytes.

25 ENERGY STORAGE↗