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DOE OSTI2024

Degradation of Anion Exchange Membranes by Cation Elimination: Impact on Water Uptake, Nanostructure, and Ionic Mobility

Anion exchange membranes (AEMs) are an attractive platform for fuel cell and electrolysis technologies since they enable the use of cheaper, nonplatinum group metal electrodes and components. However, the widespread adoption of AEM-based devices is limited by chemical degradation of the AEM in the highly alkaline medium of operation. Experimental studies report three major pathways of degradation, including substitution (S N 2), elimination (E2), and backbone cleavage. The decline in membrane performance is likely due to a cumulative effect of several pathways, which has proven to be difficult to disentangle through experiments. Here we use coarse-grained molecular simulations to isolate the impact of E2 degradation, where cationic sites are replaced by an alkene group, on AEM water uptake, nanoscale morphology, structure of the ion-conducting channels, water mobility, and ionic conductivity. Our studies focus on the well-studied model AEM polyphenylene oxide with tetraalkylammonium cationic sites (PPO-TMA). We find that about half of the hydrophobic groups resulting from the degradation retract into the hydrophobic domains of the membrane. The reduction in ion exchange capacity (IEC) and the hydrophobicity of the alkene groups decrease both the equilibrium water uptake (%WU) and the number of water molecules per cation (λ) of the membrane. Interestingly, the evolution of λ with the IEC seems to follow that of undegraded PPO-TMA membranes. Additionally, we ascribe this to the similarity between the structure of the degraded monomer and the neutral one in the polymer. We conclude that most of the performance losses originate in the lower hydration of the degraded membrane.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Tandem bulk oxygen diffusion and surface reactions in reducible metal oxides control redox cycle dynamics

The interplay between bulk oxygen diffusion and surface reactions in reducible metal oxides is key in heterogeneous catalysts, but direct measurements of oxygen mobility, transient kinetics, and in situ spectroscopies have been lacking. Here, we reveal complex dynamic behavior of ceria-zirconia by H 2 using transient kinetics via mass spectrometry and in situ Raman and near-ambient pressure x-ray photoelectron spectroscopies. Molecular dynamics simulations with a machine learning potential delineate competitive oxygen diffusion mechanisms, with an optimal mobility at intermediate reductions. We expose a compensation between vacancy availability and lattice distortion at intermediate to high reductions and Frenkel defects at low reductions, underscoring a potential deficiency of 16 O/ 18 O exchange experiments in deducing oxygen mobility. Vacancies in proximity require electron localization on Ce atoms further away. The continuous replenishment of surface oxygen results in a varying reduction rate, with H 2 dissociation being the rate-limiting step. Multiscale transient simulations, consistent with experiments, indicate catalysts of potentially spatially varying oxidation states. The approach is broadly applicable to reducible oxide materials.

36 MATERIALS SCIENCE↗

NASA NTRS2019

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.↗

NASA NTRS2016

Serious Gaming for Test & Evaluation of Clean-Slate (Ab Initio) National Airspace System (NAS) Designs

Incremental approaches to air transportation system development inherit current architectural constraints, which, in turn, place hard bounds on system capacity, efficiency of performance, and complexity. To enable airspace operations of the future, a clean-slate (ab initio) airspace design(s) must be considered. This ab initio National Airspace System (NAS) must be capable of accommodating increased traffic density, a broader diversity of aircraft, and on-demand mobility. System and subsystem designs should scale to accommodate the inevitable demand for airspace services that include large numbers of autonomous Unmanned Aerial Vehicles and a paradigm shift in general aviation (e.g., personal air vehicles) in addition to more traditional aerial vehicles such as commercial jetliners and weather balloons. The complex and adaptive nature of ab initio designs for the future NAS requires new approaches to validation, adding a significant physical experimentation component to analytical and simulation tools. In addition to software modeling and simulation, the ability to exercise system solutions in a flight environment will be an essential aspect of validation. The NASA Langley Research Center (LaRC) Autonomy Incubator seeks to develop a flight simulation infrastructure for ab initio modeling and simulation that assumes no specific NAS architecture and models vehicle-to-vehicle behavior to examine interactions and emergent behaviors among hundreds of intelligent aerial agents exhibiting collaborative, cooperative, coordinative, selfish, and malicious behaviors. The air transportation system of the future will be a complex adaptive system (CAS) characterized by complex and sometimes unpredictable (or unpredicted) behaviors that result from temporal and spatial interactions among large numbers of participants. A CAS not only evolves with a changing environment and adapts to it, it is closely coupled to all systems that constitute the environment. Thus, the ecosystem that contains the system and other systems evolves with the CAS as well. The effects of the emerging adaptation and co-evolution are difficult to capture with only combined mathematical and computational experimentation. Therefore, an ab initio flight simulation environment must accommodate individual vehicles, groups of self-organizing vehicles, and large-scale infrastructure behavior. Inspired by Massively Multiplayer Online Role Playing Games (MMORPG) and Serious Gaming, the proposed ab initio simulation environment is similar to online gaming environments in which player participants interact with each other, affect their environment, and expect the simulation to persist and change regardless of any individual player's active participation.

Allen, B. Danette↗

DOE OSTI2024

ReLU, Sparseness, and the Encoding of Optic Flow in Neural Networks

Accurate self-motion estimation is critical for various navigational tasks in mobile robotics. Optic flow provides a means to estimate self-motion using a camera sensor and is particularly valuable in GPS- and radio-denied environments. The present study investigates the influence of different activation functions—ReLU, leaky ReLU, GELU, and Mish—on the accuracy, robustness, and encoding properties of convolutional neural networks (CNNs) and multi-layer perceptrons (MLPs) trained to estimate self-motion from optic flow. Our results demonstrate that networks with ReLU and leaky ReLU activation functions not only achieved superior accuracy in self-motion estimation from novel optic flow patterns but also exhibited greater robustness under challenging conditions. The advantages offered by ReLU and leaky ReLU may stem from their ability to induce sparser representations than GELU and Mish do. Our work characterizes the encoding of optic flow in neural networks and highlights how the sparseness induced by ReLU may enhance robust and accurate self-motion estimation from optic flow.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

Automation of Data Collection Methods for Online Monitoring of Nuclear Power Plants

Maintenance activities in the United States nuclear power industry are mainly centered on preventive and corrective maintenance. Predictive maintenance, which is a variable time basis maintenance strategy that is dependent on the condition of the equipment, is less utilized but potentially more effective. In the current maintenance practices, the nuclear power plants rely on manual processes to supply information to a human decision making process. The plants have several processes that generate information that is not typically used beyond the intended target for collecting that information. This information is a source of data that is manually collected by labor intensive tasks. The data is therefore expensive to collect, yet limited in use. The industry has realized the opportunity present in reducing the labor intensive tasks by automating them and increasing the uses of the data collected by either developing advanced predictive maintenance methods using data-driven decision making that could span from trending to machine learning and artificial intelligence. This shift in maintenance strategy may result in high cost saving impact. In addition to reducing labor requirements and frequency of maintenance activities, this shift in strategy will reduce the materials portion of the operations and maintenance cost as well. The aim of this specific effort is to focus on the automation of data collection process. It is part of a series of planned efforts to target multiple elements of migrating the current preventive maintenance approach in nuclear power plants to a data-driven approach. These elements include data collection, management, analysis, visualization, in addition to value analysis and change enabling. The other five elements of migration were not considered because they are planned to be explicitly studied in multiple parallel efforts. Challenges including regulations requirements or limitations are planned in a future effort that focuses on change enabling. The risk and benefit/cost of the approach shift is planned in another effort targeted towards value. The storage, communication, computational power, data architecture, and protection are part of the information infrastructure and are planned in dedicated data management effort. The best means to present the data for assisted human decision making is planned in a data visualization effort. The data interpretation and patterns recognition for machine decision making is planned through multiple efforts in data analytics over the following years. This work identified seventeen data sources collection methods in nuclear power plants that could be automated for an integrated data platform that enables comprehensive and informed decision making. For each of the identified seventeen data sources, the base, modern, and state of the art states were described. The current state of data collection used by most utilities was identified as the "base state". The current achievable state was identified as the "modern state", a state that has either been achieved by at least some US utilities or in other industries. The future state that requires research and development to reach was identified as the "state of the art" state. The described states used an out-of-the-box thinking approach. This effort found that there is a hug potential for task automation and data fidelity improvements by evolving the current industry data collection methods. The majority of the processes analyzed were found to be manual and labor intensive and fell in the base state. As a result, the modern state often targeted reducing the manual logging efforts by using electronic and semi-intelligent means or complementing the work with sensors and mobile or fixed technologies that can reduce the demand of labor activities. The state of the art state involved applications advanced methods of data correlation, data mining, and machine learning along with increasing the spatial distribution and fidelity of data, coupling multiple data sources, and enabling the use of sophisticated mobile devices and machine comprehension methods.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2020

GPU-Based Static Data-Flow Analysis for Fast and Scalable Android App Vetting

Many popular vetting tools for Android applications use static code analysis techniques. In particular, Interprocedural Data-Flow Graph (IDFG) construction is the computation at the core of Android static data-flow analysis and consumes most of the analysis time. Many analysis tools use a worklist algorithm, an iterative fixed-point approach, to construct the IDFG. In this paper, we observe that a straightforward GPU parallelization of the worklist algorithm leads to significant underutilization of the GPU resources. We identify four performance bottlenecks, namely, frequent dynamic memory allocations, high branch divergence, workload imbalance, and irregular memory access patterns. Accordingly, we propose GDroid, a GPU-based worklist algorithm implementation with multiple fine-grained optimizations tailored to common characteristics of Android applications. The optimizations considered are: matrix-based data structure, memory access-based node grouping, and worklist merging. Our experimental evaluation, performed on 1000 Android applications, shows that the proposed optimizations are beneficial to performance, and GDroid can achieve up to 128X speedups against a plain GPU implementation.

Android security↗

DOE OSTI2026

A Real2Sim Digital Twin Pipeline for Photorealistic Robot Simulation: Evaluating VLA Policy Deployment on a Bimanual Mobile Robot

Digital twins that are automatically constructed from robot sensor data offer a promising pathway for scalable Real2Sim and Sim2Real transfer. However, it remains an open question whether photorealistic reconstruction alone is sufficient to support reliable deployment of vision-language-action (VLA) policies. We present a generative-AI-assisted Real2Sim pipeline that generates simulation-ready digital twins from real-world RGB observations with minimal manual intervention. The pipeline uses prompted segmentation to isolate scene components and a generative 3D model to directly produce simulation assets, eliminating the need for traditional multi-view reconstruction or manual 3D modeling.\r\nTo evaluate simulation fidelity, we deploy and compare policies from two VLA models in both the real robot and the reconstructed\r\nsimulation under identical tasks and initial conditions. We compare joint-level action trajectories and analyze how divergence evolves over time in closed-loop execution. Although the reconstructed environments are visually accurate, we observe increasing trajectory divergence during closedloop operation. These results indicate that photorealistic reconstruction alone is insufficient to preserve closed-loop control behavior\r\nin VLA policies, particularly in contact-rich manipulation settings where small perceptual errors compound over time.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

Emulation Platform for Cyber Analysis of Wireless Communication Network Protocols

Wireless networking and mobile communications is increasing around the world and in all sectors of our lives. With increasing use, the density and complexity of the systems increase with more base stations and advanced protocols to enable higher data throughputs. The security of data transported over wireless networks must also evolve with the advances in technologies enabling more capable wireless networks. However, means for analysis of the effectiveness of security approaches and implementations used on wireless networks are lacking. More specifically a capability to analyze the lower-layer protocols (i.e., Link and Physical layers) is a major challenge. An analysis approach that incorporates protocol implementations without the need for RF emissions is necessary. In this research paper several emulation tools and custom extensions that enable an analysis platform to perform cyber security analysis of lower layer wireless networks is presented. A use case of a published exploit in the 802.11 (i.e., WiFi) protocol family is provided to demonstrate the effectiveness of the described emulation platform.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Facility Location Optimization Model for COVID-19 Resources

In response to anticipated resource shortfalls related to the treatment and testing of COVID-19, many communities are planning to build additional facilities to increase capacity. These facilities include field hospitals, testing centers, mobile manufacturing units, and distribution centers. In many cases, these facilities are intended to be temporary and are designed to meet an immediate need. When deciding where to place new facilities many factors need to be considered, including the feasibility of potential locations, existing resource availability, anticipated demand, and accessibility between patients and the new facility. In this project, a facility location optimization model was developed to integrate these key pieces of information to help decision makers identify the best place, or places, to build a facility to meet anticipated resource demands. The facility location optimization model uses the location of existing resources and the anticipated resource demand at each location to minimize the distance a patient must travel to get to the resource they need. The optimization formulation is presented below. The model was designed to operate at the county scale, where patients are grouped per county. This assumption can be modified to integrate other scales or include individual patients.

60 APPLIED LIFE SCIENCES↗

NASA NTRS2023

Simulation of a Single Rotor and a Quadrotor Hovering in Full and Partial Ground Effect

With the development of urban air mobility, the safety of multirotor vehicle operations in proximity to vertiports must be assessed. This paper examines high-fidelity blade-resolved OVERFLOW simulations and medium-fidelity vortex particle–mesh simulations that capture the aerodynamics of a rotorcraft in full and partial ground effect. Results obtained with each CFD method are compared to verify the consistency of the models introduced in the latter, which include an immersed lifting line for the blade aerodynamics and various boundary conditions to account for solid surfaces such as ground and walls. Satisfactory agreement is obtained for the blade loads and rotorwash velocity profiles in the case of a single rotor, except for small discrepancies at the blade tip. Finally, a quadrotor air taxi is simulated to quantify the load imbalance when the vehicle hovers above a rooftop edge. The combined use of high- and medium-fidelity methods is envisioned to accelerate the workflow when a large number of configurations need to be tested.

HEC↗

DOE OSTI2022

A shared-mobility-based framework for evacuation planning and operations under forecast uncertainty

To meet evacuation needs from carless populations who need personalized assistance to evacuate safely, in this article we propose a ridesharing-based evacuation program that recruits volunteer drivers before a disaster strikes, and then matches volunteer drivers with evacuees once demand is realized. Here we optimize resource planning and evacuation operations under uncertain spatiotemporal demand, and construct a two-stage stochastic mixed-integer program to ensure high demand fulfillment rates. We consider three formulations to improve the number of evacuees served, by minimizing an expected penalty cost, imposing a probabilistic constraint, and enforcing a constraint on the conditional value at risk of the total number of unserved evacuees, respectively. We discuss the benefits and disadvantages of the different risk measures used in the three formulations, given certain carless population sizes and the variety of evacuation modes available. We also develop a heuristic approach to provide quick, dynamic and conservative solutions. We demonstrate the performance of our approaches using five different networks of varying sizes based on regions of Charleston County, South Carolina, an area that experienced a mandatory evacuation order during Hurricane Florence, and utilize real demographic data and hourly traffic count data to estimate the demand distribution.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

Predictive Model for Starlink Maritime Performance Using Multi-Horizon RandomForest

Low Earth orbit (LEO) satellite systems have become a crucial enabler of broadband access for maritime industries, where traditional networks are unavailable. However, the high mobility of LEO constellations and constantly changing weather conditions result in unpredictable link fluctuations, limiting the ability of maritime platforms to plan bandwidth usage proactively. To the best of our knowledge, no prior work has developed a short-term predictive model for maritime LEO connectivity using real experimental field measurements. This paper proposes a data-driven forecasting model that predicts future downlink throughput using multi-horizon RandomForest regression. The model is trained using real experimental coastal measurement data incorporating recent throughput history, network-layer indicators, and environmental variables. The proposed approach reduces mean absolute error by approximately 31% compared to a persistence baseline for 15-minute horizons. It maintains a measurable improvement at 30 minutes, despite increased stochasticity. These findings confirm that proactive bandwidth awareness is feasible on maritime platforms and can effectively support operational decisions such as adaptive streaming, routing, and resource scheduling. The performance gap between forecasting horizons also highlights the need for expanded offshore datasets to improve prediction robustness under harsher maritime environments.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2012

Development of the Self-Powered Extravehicular Mobility Unit Extravehicular Activity Data Recorder

The Self-Powered Extravehicular Mobility Unit (EMU) Extravehicular Activity (EVA) Data Recorder (SPEEDR) is a field-programmable gate array (FPGA)-based device designed to collect high-rate EMU Primary Life Support Subsystem (PLSS) data for download at a later time. During EVA, the existing EMU PLSS data downlink capability is one data packet every 2 minutes and is subject to bad packets or loss of signal. Higher-rate PLSS data is generated by the Enhanced Caution and Warning System but is not normally captured or distributed. Access to higher-rate data will increase the capability of EMU anomaly resolution team to pinpoint issues remotely, saving crew time by reducing required call-down Q&A and on-orbit diagnostic activities. With no Space Shuttle flights post Fiscal Year 2011 (FY11), and potentially limited down-mass capability, the ISS crew and ground support personnel will have to be capable of on-orbit operations to maintain, diagnose, repair, and return to service EMU hardware, possibly through 2028. Collecting high-rate EMU PLSS data during both intravehicular activity (IVA) and EVA operations will provide trending analysis for life extension and/or predictive performance. The SPEEDR concept has generated interest as a tool/technology that could be used for other International Space Station subsystems or future exploration-class space suits where hardware reliability/availability is critical and low/variable bandwidth may require store then forward methodology. Preliminary work in FY11 produced a functional prototype consisting of an FPGA evaluation board, custom memory/interface circuit board, and custom software. The SPEEDR concept includes a stand-alone battery that is recharged by a computer Universal Serial Bus (USB) port while data are being downloaded.

Bernard, Craig↗

NASA NTRS2026

A Summary of Test and Analysis Results from a Second Lift+Cruise Full-Scale Drop Test

The realization of advanced air mobility markets is enabling new forms of transportation to take shape in the United States and around the world. Though currently in development, as these markets mature, new types of vertical take-off and landing (VTOL) vehicles have been undergoing development for use. There are many factors which must be addressed prior to these types of vehicles becoming viable alternative forms of transportation in these markets. These factors include incorporation into the existing airspaces, the logistics of operating in urban environments, along with numerous factors associated with safety and reliability. To address some of the safety aspects associated with the development of these new types of vehicles, NASA has been conducting research into the performance of an example electric VTOL (eVTOL) aircraft as a part of the Revolutionary Vertical Lift Technology (RVLT) project. Over the course of this research, many aspects including the development of energy absorbing components, the evaluation of seating systems, the development of advanced finite element material model systems and the acquisition of full-scale vehicle impact data were investigated. The report will discuss aspects related to the acquisition of full-scale vehicle data which occurred in the form of a full-scale impact test conducted in the Summer of 2025. This test was on a NASA designed Lift+Cruise composite cabin test article and represented a partial capstone in the entirety of previous eVTOL research conducted for the project. In this test, a variety of experiments were included in order to investigate the effect of a full-scale environment on the experiment results. In parallel, the development of a computational impact model to simulate the full-scale test will be discussed in this report. A model of the Lift+Cruise test article was developed utilizing data collected from previous sub- and full-scale test data and then simulated in the current test environment. The model development, its use in pre-test predictions, and its use in post-test correlation will all be presented. This report will present the test data acquired from the Lift+Cruise test and document several of the results obtained. One intended result is to determine the effect of a complex full-scale crash impact on the identification of occupant injury risk within seat and vehicle designs. A second intended result is to determine whether high-fidelity models can be used with some confidence in the prediction of test events and can allow for additional test cases to be simulated without the need of having to conduct additional tests. The overall goal of the test is to provide the community with data that can be used for design, development or certification efforts, along with providing data on what an example eVTOL crash incident could entail.

energy storage systems↗

DOE OSTI2020

Evaluation of Waveform Profiles for Traveling Wave Ion Mobility Separations in Structures for Lossless Ion Manipulations

Structures for lossless ion manipulations (SLIM) have recently enabled a powerful implementation of traveling wave ion mobility spectrometry (TWIMS) for ultra-high resolution separations. However, optimization of experimental parameters remains challenging. Most TWIMS separations have utilized square-shaped waveforms applied by time-dependent voltage stepping across a repeating sets of electrodes; however, alternative waveforms may provide further improvements to resolution. In this work, we characterize five waveforms (including square and sine) in terms of their transmission efficiency, IMS resolution, and resolving power, and explore the effects of TW amplitude and speed on the performance of each. We found, consistent with previous work, separations were generally improved with higher TW amplitudes, moderately improved by lower speeds (limited by ion ‘surfing’ with the waves), and found decreases in signal intensity at the extremes of operating conditions. The triangle and asymmetric ‘ramp forward’ shaped profiles were found to provide modestly greater resolution and resolving power, an observation we tentatively attribute to their relatively uniform fields and minimal low-field regions.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2012

NASA Tech Briefs, January 2012

Contents of this issue are: (1) Energy-Based Tetrahedron Sensor for High-Temperature, High-Pressure Environments (2) Handheld Universal Diagnostic Sensor (3) Large-Area Vacuum Ultraviolet Sensors (4) Fiber Bragg Grating Sensor System for Monitoring Smart Composite Aerospace Structures (5) Health-Enabled Smart Sensor Fusion Technology (6) Extended-Range Passive RFID and Sensor Tags (7) Hybrid Collaborative Learning for Classification and Clustering in Sensor Networks (8) Self-Healing, Inflatable, Rigidizable Shelter (9) Improvements in Cold-Plate Fabrication (10) Technique for Radiometer and Antenna Array Calibration - TRAAC (11) Real-Time Cognitive Computing Architecture for Data Fusion in a Dynamic Environment (12) Programmable Digital Controller (13) Use of CCSDS Packets Over SpaceWire to Control Hardware (14) Key Decision Record Creation and Approval Module (15) Enhanced Graphics for Extended Scale Range (16) Debris Examination Using Ballistic and Radar Integrated Software (17) Data Distribution System (DDS) and Solar Dynamic Observatory Ground Station (SDOGS) (18) Integration Manager (19) Eclipse-Free-Time Assessment Tool for IRIS (20) Automated and Manual Rocket Crater Measurement Software (21) MATLAB Stability and Control Toolbox Trim and Static Stability Module (22) Patched Conic Trajectory Code (23) Ring Image Analyzer (24) SureTrak Probability of Impact Display (25) Implementation of a Non-Metallic Barrier in an Electric Motor (26) Multi-Mission Radioisotope Thermoelectric Generator Heat Exchangers for the Mars Science Laboratory Rover (27) Uniform Dust Distributor for Testing Radiative Emittance of Dust-Coated Surfaces (28) MicroProbe Small Unmanned Aerial System (29) Highly Stable and Active Catalyst for Sabatier Reactions (30) Better Proton-Conducting Polymers for Fuel-Cell Membranes (31) CCD Camera Lens Interface for Real-Time Theodolite Alignment (32) Peregrine 100-km Sounding Rocket Project (33) SOFIA Closed- and Open-Door Aerodynamic Analyses (34) Sonic Thermometer for High-Altitude Balloons (35) Near-Infrared Photon-Counting Camera for High-Sensitivity Observations (36) Integrated Optics Achromatic Nuller for Stellar Interferometry (37) High-Speed Digital Interferometry (38) Ultra-Miniature Lidar Scanner for Launch Range Data Collection (39) Shape and Color Features for Object Recognition Search (40) Explanation Capabilities for Behavior-Based Robot Control (41) A DNA-Inspired Encryption Methodology for Secure, Mobile Ad Hoc Networks (42) Quality Control Method for a Micro-Nano-Channel Microfabricated Device (43) Corner-Cube Retroreflector Instrument for Advanced Lunar Laser Ranging (44) Electrospray Collection of Lunar Dust (45) Fabrication of a Kilopixel Array of Superconducting Microcalorimeters with Microstripline Wiring Spacecraft Attitude Tracking and Maneuver Using Combined Magnetic Actuators (46) Coherent Detector for Near-Angle Scattering and Polarization Characterization of Telescope Mirror Coatings

Source record↗

DOE OSTI2023

Phase engineering of layered anode materials during ion-intercalation in Van der Waal heterostructures

Transition metal dichalcogenides (TMDs) are a class of 2D materials demonstrating promising properties, such as high capacities and cycling stabilities, making them strong candidates to replace graphitic anodes in lithium-ion batteries. However, certain TMDs, for instance, MoS 2 , undergo a phase transformation from 2H to 1T during intercalation that can affect the mobility of the intercalating ions, the anode voltage, and the reversible capacity. In contrast, select TMDs, for instance, NbS 2 and VS 2 , resist this type of phase transformation during Li-ion intercalation. This manuscript uses density functional theory simulations to investigate the phase transformation of TMD heterostructures during Li-, Na-, and K-ion intercalation. The simulations suggest that while stacking MoS 2 layers with NbS 2 layers is unable to limit this 2H → 1T transformation in MoS 2 during Li-ion intercalation, the interfaces effectively stabilize the 2H phase of MoS 2 during Na- and K-ion intercalation. However, stacking MoS 2 layers with VS 2 is able to suppress the 2H → 1T transformation of MoS 2 during the intercalation of Li, Na, and K-ions. The creation of TMD heterostructures by stacking MoS 2 with layers of non-transforming TMDs also renders theoretical capacities and electrical conductivities that are higher than that of bulk MoS 2 .

25 ENERGY STORAGE↗