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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Real-Sim Interface: Enabling Multi-resolution Simulation and X-in-the-Loop Development for Connected and Automated Vehicles

We report connected and automated vehicles (CAVs) can bring safety, mobility, and energy benefits to transportation systems. Ideally, CAV applications would be fully evaluated and validated prior to real-world implementation. However, many technical challenges in both software and hardware hinder the process. To comprehensively evaluate all aspects of CAV applications, an integrated evaluation environment is needed with various simulation tools from different domains. In the current literature, there lacks a well-developed interface to enable multi-resolution simulation of vehicle, traffic, virtual environment, and hardware-in-the-loop (HIL) simulation. In this work, a modular and flexible interface is developed to enable multi-resolution vehicle and traffic co-simulation for CAV applications. This interface is built upon Oak Ridge National Laboratory’s (ORNL’s) Real-Sim approach, can support various simulation tools and real-time X-in-the-loop (XIL) simulations, and is based on network communication protocols. The network communication delays are analyzed for simultaneous connection of up to 20 simulators. Then, two example applications are studied to demonstrate the potential usage of the Real-Sim interface: (1) a centralized merging scenario where the dynamics of two ego vehicles are emulated with detailed vehicle and powertrain dynamics models and (2) a signal-controller-in-the-loop (SCIL) evaluation where one intersection of the simulated traffic scenario is controlled by a physical signal controller. This Real-Sim interface is a tool that allows researchers to bring real, tangible hardware and software into simulated environments to comprehensively evaluate and support a wide variety of CAV applications.

33 ADVANCED PROPULSION SYSTEMS↗
NASA NTRS1989

The power and efficiency of advanced software and parallel processing

Real-time simulation of flexible and articulating systems is difficult because of the computational burden of the time varying calculations. The mobile servicing system of the NASA Space Station Freedom will handle heavy payloads by local arm manipulations and by translating along the spline of the Station, it is crucial to have real-time simulation available. To enable such a simulation to be of high fidelity and to be able to be hosted on a modest computer, special care must be made in formulating the structural dynamics. Frontal solution algorithms save considerable time in performing these calculations. In addition, it is necessary to take advantage of parallel processing be compatible to take full advantage of both. An approach is offered which will result in high fidelity, real-time simulation for flexible, articulating systems such as the space Station remote servicing system.

Singh, Ramen P.↗
DOE OSTI2021

A modeling framework for designing and evaluating curbside traffic management policies at Dallas-Fort Worth International Airport

Emerging mobility technologies are changing the transportation system landscape. This is especially evident at airports, such as the Dallas-Fort Worth International Airport (DFW). Without careful analysis, these changes could lead to inefficient and costly airport operations. This paper presents a modeling framework that integrates travel mode encoding, demand projection, and microsimulation to enable airports to develop, simulate, and evaluate curbside traffic managements policies and measure their impact. Here, the framework is utilized to analyze several traffic scenarios and policies for DFW: a baseline scenario which represents DFW traffic pattern as observed in 2018 and projected to 2045, a transit network company (TNC) electrification policy, a TNC queuing policy, a policy that increased transit ridership, a bus-only policy which considers the use of only buses inside DFW, an autonomous vehicle (AV) policy which investigates the impact of autonomous vehicle (AV) adoption on airport operations, and an example COVID-19 scenario which models the impact of the COVID19 pandemic. The simulations’ results demonstrate that: increasing the DFW transit ridership postpones the need for airport curbside expansion the most; encouraging shared-mobility with the bus-only policy produces the most savings in curbside congestion delays; automation and electrification for all passenger vehicle trips to/from DFW generates the most saving in fuel consumption and emissions; and uncontrolled AV adoption incurs the highest increase in fuel consumption, delay, and emissions and could require immediate airport capacity extension. Without policy intervention or investment in additional infrastructure capacity, these results predict the current operations would face significant congestion on high demand days starting as early as 2028. While derived in close partnership with DFW, the methodology presented here can be generalized to any airport.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
NASA NTRS2014

EMU Suit Performance Simulation

Introduction: Designing a planetary suit is very complex and often requires difficult trade‐offs between performance, cost, mass, and system complexity. To verify that new suit designs meet requirements, full prototypes must be built and tested with human subjects. However, numerous design iterations will occur before the hardware meets those requirements. Traditional draw‐prototype‐test paradigms for research and development are prohibitively expensive with today's shrinking Government budgets. Personnel at NASA are developing modern simulation techniques that focus on a human‐centric design paradigm. These new techniques make use of virtual prototype simulations and fully adjustable physical prototypes of suit hardware. This is extremely advantageous and enables comprehensive design down‐selections to be made early in the design process. Objectives: The primary objective was to test modern simulation techniques for evaluating the human performance component of two EMU suit concepts, pivoted and planar style hard upper torso (HUT). Methods: This project simulated variations in EVA suit shoulder joint design and subject anthropometry and then measured the differences in shoulder mobility caused by the modifications. These estimations were compared to human‐in‐the‐loop test data gathered during past suited testing using four subjects (two large males, two small females). Results: Results demonstrated that EVA suit modeling and simulation are feasible design tools for evaluating and optimizing suit design based on simulated performance. The suit simulation model was found to be advantageous in its ability to visually represent complex motions and volumetric reach zones in three dimensions, giving designers a faster and deeper comprehension of suit component performance vs. human performance. Suit models were able to discern differing movement capabilities between EMU HUT configurations, generic suit fit concerns, and specific suit fit concerns for crewmembers based on individual anthropometry

Cowley, Matthew S.↗
NASA NTRS2018

Evaluation of Opportunistic Contact Graph Routing in Random Mobility Environments

Routing in networks where nodes move randomly is particularly challenging due their potentially unpredictable, and rapidly changing topology. Several routing algorithms have been presented in the literature to address the needs of such networks, most of them implementing variants of controlled network flooding in the hope of successful data delivery. In this note, we compare the results of previous routing algorithms with Opportunistic Contact Graph Routing (OCGR), an enhanced version of Contact Graph Routing (CGR) that is suitable for networks where contacts cannot always be scheduled ahead of time. To perform the benchmark, we simulate a network of nodes moving in a certain space according to the Random Waypoint Mobility Model, and then take measurements of bundle delivery probabilty and overhead ratio as metrics of performance and cost respectively. Through this exercise, we demonstrate that the performance of OCGR is highly dependent on the type of network under consideration (e.g. very sparse vs. densely connected) and the assumed mobility model.

Burleigh, Scott↗
NASA NTRSDate not supplied

ACAS Xr Part Task Sim, Preliminary Experiment Design

In early 2022, the Human Autonomy Teaming Lab (NASA Ames Research Center) will conduct a manned, human-in-the-loop (HITL) simulation. This part task HITL will begin the lab’s Hazard Perception and Avoidance (HPA) technical work under NASA’s Advanced Air Mobility (AAM), Automated Flight and Contingency Management (AFCM) Sub-Project. The goals will be to assess levels of automation for manned, electric vertical takeoff and landing (eVTOL) aircraft. This simulation will test manual and automated Resolution Advisory (RA) responses and return-to-course (RTC) maneuvers for the first version of the Airborne Collision Avoidance System’s (ACAS) rotary-wing (Xr) variant. This will be conducted on a fixed-based simulator designed to fly eVTOL aircraft while maneuvering for intruding traffic. Variables for this study include levels of autonomy (i.e., manual and automated) as well as the types of alerts at the onset of conflicts (i.e., Corrective and RA). The data collected will include response times, losses of well clear, and maneuver sizes and durations as well as subjective ratings like acceptability, perceived workload, and meaningful human control. Additional details and future anticipations are also discussed.

air taxis↗
DOE OSTI2025

Models and Measurements Quantify Photon Recycling, Charge-Carrier Diffusion and Photon Scattering Contributions to Photoluminescence in InP Nanowire Arrays

Nanowire arrays present many unique advantages for solar-to-chemical energy conversion. One possible advantage is that photon recycling between neighboring nanowires has the potential to increase solar energy conversion efficiencies. Here, in this work, we explore three underlying mechanisms of optical and electronic coupling between neighboring nanowires─incident photon scattering, photon recycling, and charge-carrier transport from the photoexcited nanowire to the neighboring nanowire via the underlying substrate─using single nanowire-level microscopy and spectroscopy measurements. We present a comprehensive analysis of light absorption and emission of a single nanowire at open circuit, and subsequent re-absorption and re-emission by a neighboring nanowire. We developed a novel correlated single nanowire microspectroscopy and widefield imaging methodology to spatially resolve photon communication pathways between neighboring nanowires and selectively image re-emitted and reflected photons. We developed unique multiphysics models to couple wave optics and semiconductor photophysics to especially isolate contributions from photon recycling and electronic transport to photon emission from neighboring nanowires. By systematically varying the morphologies of the nanowires modeled, we identified pathways to maximize photon recycling between neighboring nanowires. We concluded that the measured photoluminescence is more strongly influenced by the diffusion of charge carriers as compared to photon recycling in materials with moderate-to-large charge-carrier mobilities (>10 cm 2 V –1 s –1 ), and that photon recycling dictates photoluminescence intensity only when the charge-carrier mobility is low (<1 cm 2 V –1 s –1 ). The experimental and simulation platforms developed herein for photon management strategies can be leveraged by the semiconductor photocatalysis community to enhance solar-to-chemical conversion efficiencies in semiconductor nanowire arrays.

25 ENERGY STORAGE↗
DOE OSTI2021

Charge Transport and Space-Charge Formation in Cd 1 - x Zn x Te 1 - y Se y Radiation Detectors

The electron- and hole-transport properties in cadmium zinc telluride selenide (CZTS) crystals are studied using a laser-induced transient-current technique with pulsed and dc bias. The internal electric field profile and velocity of surface recombination are determined by Monte Carlo simulations of electron and hole transient currents combined with a numerical solution of the drift-diffusion equation coupled with Poisson’s equation. Electron and hole drift mobilities of μe = 830 cm 2 /Vs and μh = 40 cm 2 /Vs, respectively, are determined. We also develop a simple technique for evaluating surface recombination directly from measured current waveforms without the need for numerical simulation. The good quality of the prepared detector at pulsed bias, with electron- and hole-mobility-lifetime products of (μτ)e = 1.9 × 10 -3 cm 2 /V and (μτ)h = 1.4 × 10 -4 cm 2 /V, respectively, are observed. The formation of a positive space charge, originating from hole injection combined with a recombination level, is found. We observe a significant position dependence of the lifetime of electrons and holes in dc bias due to hole injection. The experiment is successfully fitted by a simple model dominated by a single deep recombination level with an energy of E t =E C -0.73eV; concentration of 7.3 × 10 11 cm -3 ; and electron- and hole-capture cross sections of 3.5 × 10 -14 cm 2 and 6.5 × 10 -14 cm 2 , respectively.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Unveiling the lithium-ion transport mechanism in Li{sub 2}ZrCl{sub 6} Solid-State Electrolyte {ital via} deep learning-accelerated molecular dynamics simulations.

Lithium zirconium chlorides (LZCs) present a promising class of cost-effective solid electrolytes for next-generation all-solid-state batteries. The unique crystal structure of LZCs plays a crucial role in facilitating lithium-ion mobility, which further affects the electrochemical performance. To understand the underlying mechanism governing ion transport, we employed deep learning-accelerated molecular dynamics simulation on Li2ZrCl6 (trigonal alpha- and monoclinic beta-LZC), focusing specifically on the zirconium coordination environment. Our results reveal that disordered alpha-LZC exhibits the highest ionic conductivity, while beta-LZC demonstrates significantly lower conductivity, closely aligning with experimental findings. The study confirms that across all phases, lithium migration proceeds via the site-to-site hopping mechanism, where variations in site residence times critically impact the overall ionic conductivity. In alpha-LZCs, lithium ions prefer to anisotropically diffuse across interlayers as the result of a lower energy barrier, driven primarily by collective diffusion. In contrast, lithium ions in beta-LZC primarily isotropically diffuse within the intralayer, hindered by higher energy barriers and determined by individual diffusion. The variation in ZrCl6 2- octahedral unit softening, induced by the specific layered arrangement of zirconium atoms, emerges as a critical determinant of the energy barriers across the LZC phases. These atomic-scale insights into the transport processes provide valuable guidance for the rational design and optimization of LZCs-based electrolytes, accelerating their practical application in advanced energy storage technologies.

Guo, Hanzeng↗
DOE OSTI2022

Role of Local Structure in the Enhanced Dynamics of Deformed Glasses

External stress can accelerate molecular mobility of amorphous solids by several orders of magnitude. The changes in mobility are commonly interpreted through the Eyring model, which invokes an empirical activation volume. Here, we analyze constant-stress molecular dynamics simulations and propose a structure-dependent Eyring model, connecting activation volume to a machine-learned field, softness. We show that stress has a heterogeneous effect on the mobility that depends on local structure through softness. The barrier impeding relaxation reduces more for well-packed particles, which explains the narrower distribution of relaxation time observed under stress.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRSDate not supplied

Lunar Rover Motion-Based Simulation System

Our team developed a motion-based simulation system for lunar terrain vehicles which resides at Johnson Space Center’s Systems Engineering Simulator (SES) facility. This activity integrates existing fixed base simulation capabilities with a newly procured motion base platform for the design, development, evaluation, and training associated with lunar terrain vehicles. This incorporates a South Pole Lunar virtual reality simulation, combined with a pair of VR headsets, integrated within a rover cockpit on a motion platform for evaluating human performance and vehicle handling qualities for concept roving vehicle designs for surface mobility operations.

Motion-Based↗
NASA NTRS2019

Fe(exp3) - A Monte Carlo Simulation Capability for Evaluation of New Air Traffic Management Concepts

The concepts of unmanned aircraft system traffic management (UTM) and urban air mobility (UAM) introduce high-density operations in low-altitude airspace and will change the paradigm of the traditional air traffic system. The Flexible engine for Fast-time evaluation of Flight environments (Fe3) provides the capability of statistically analyzing high-density, high-fidelity, and low-altitude traffic system without conducting infeasible and cost-prohibitive flight tests that involve a large volume of aerial vehicles. With this simulation capability, stakeholders can study the impacts of critical factors, define requirements, policies, and protocols needed to support a safe yet efficient traffic system, assess operational risks, and optimize flight schedules. This work provides an introduction to this simulation tool including its architecture and various models involved. Its performance and applications in high density air traffic operations are also presented.

Paralellization↗
DOE OSTI2026

Detailed Simulation Datasets Quantifying U.S. DOE VTO/HFTO R&D Benefits Across Light- to Heavy-Duty Vehicles

For more than 20 years, Argonne National Laboratory’s Vehicle & Mobility Systems Department has assessed how R&D investments by the U.S. Department of Energy’s Transportation Technologies Office and Alternative Fuels and Feedstocks Office affect vehicle energy use and cost. The analyses are performed using Autonomie, Argonne’s full-vehicle simulation tool for energy consumption, performance, and cost. The study covers five time frames ranging from present day through 2050, with more than 30 vehicle classes and applications (10 light duty and >20 medium and heavy duty), as well as six powertrain configurations (conventional, start-stop, hybrid electric vehicle, plug-in hybrid electric vehicle, battery-electric vehicle, and fuel cell electric vehicle) and five fuels (gasoline, diesel, natural gas, hydrogen, and electricity). Low and high technology uncertainty scenarios have been considered to capture a realistic range of outcomes. The resulting datasets include the assumptions used (i.e., efficiency, $/kWh), vehicle-level data (power, energy, weight, and cost), and outputs such as energy consumption, manufacturer’s suggested retail price, and total cost of ownership. These data are critical to stakeholders working in transportation, technology assessment, and long-term R&D planning.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

The impact of anisotropic thermal expansion on the isothermal annealing of polycrystalline α -uranium

Although grain growth impacts microstructural evolution in a wide variety of materials systems, the effect of anisotropic thermal expansion on grain boundary mobility and texture evolution has not been widely studied. Anisotropic thermal expansion occurs in multiple non-cubic metals, and the thermomechanical processing behavior of these materials can be better understood with further study into the impact of thermal expansion on grain boundary mobility and texture evolution. In this work, we develop a mesoscale phase field model of grain growth that includes the effect of anisotropic thermal expansion, which is applied to study polycrystalline α-uranium, a highly anisotropic metal. Three-dimensional simulations on polycrystalline a-uranium with and without thermal expansion eigenstrains are performed to study the grain boundary mobility and texture evolution as a function of temperature. A strain-free temperature of 933 K is selected, and the system is studied at within the range of 873 – 933 K at intervals of ten degrees, resulting in increasing thermal eigenstrain with decreasing temperature. We also estimate a grain boundary mobility prefactor and activation energy based on existing experimental data of isothermal annealing of α-uranium. The grain boundary mobility is found to display significant deviation from Arrhenius behavior with the inclusion of thermal expansion eigenstrain as the amount of thermal eigenstrain (and thus elastic strain energy within the system) increases. This result explains an experimentally observed grain boundary mobility deviation from Arrhenius behavior. Furthermore, the texture evolution is affected, such that the grain orientations become less random with increasing thermal eigenstrain, which could explain experimentally observed texture behavior. These results indicate that the effect of thermal expansion should be considered when predicting the thermomechanical processing behavior of α-uranium and other materials with anisotropic thermal expansion.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

The Influence of Alkyl Spacers and Molecular Weight on the Charge Transport and Storage Properties of Oxy‐Bithiophene‐Based Conjugated Polymers

Abstract Conjugated polymers (CPs) with polar side chains can conduct electronic and ionic charges simultaneously, making them promising for bioelectronics, electrocatalysis and energy storage. Recent work showed that adding alkyl spacers between CP backbones and polar side chains improved electronic charge carrier mobility, reduced swelling and enhanced stability, without compromising ion transport. However, how alkyl spacers impact polymer backbone conformation and, subsequently, electronic properties remain unclear. In this work, we design two oxy‐bithiophene‐based CP series, each featuring progressively extended alkyl spacer lengths and two distinct molecular weight (MW) distributions. Using operando characterisations, we evaluate the (spectro)electrochemical and swelling properties of the polymer thin films, and their performance in organic field‐effect transistors and organic electrochemical transistors. Surprisingly, alkyl spacers negatively impact the hole mobility of our polymers, with higher MW amplifying this effect. Using molecular dynamics simulations, we show that it is thermodynamically favourable for adjacent non‐polar alkyl spacers to aggregate in polar electrolytes, leading to backbone twisting. Further spectroscopic measurements corroborate this prediction. Our findings demonstrate the active interactions between side chain structure, MW and electrolyte/solvent polarity in influencing polymer performance, underscoring the importance of considering solvation environment effects on polymer conformation when designing new mixed conducting CPs for electrochemical applications.

Yu, Hang [Department of Physics and Centre for Pro↗
DOE OSTI2024

The Influence of Alkyl Spacers and Molecular Weight on the Charge Transport and Storage Properties of Oxy‐Bithiophene‐Based Conjugated Polymers

Conjugated polymers (CPs) with polar side chains can conduct electronic and ionic charges simultaneously, making them promising for bioelectronics, electrocatalysis and energy storage. Recent work showed that adding alkyl spacers between CP backbones and polar side chains improved electronic charge carrier mobility, reduced swelling and enhanced stability, without compromising ion transport. However, how alkyl spacers impact polymer backbone conformation and, subsequently, electronic properties remain unclear. In this work, we design two oxy-bithiophene-based CP series, each featuring progressively extended alkyl spacer lengths and two distinct molecular weight (MW) distributions. Using operando characterisations, we evaluate the (spectro)electrochemical and swelling properties of the polymer thin films, and their performance in organic field-effect transistors and organic electrochemical transistors. Surprisingly, alkyl spacers negatively impact the hole mobility of our polymers, with higher MW amplifying this effect. Using molecular dynamics simulations, we show that it is thermodynamically favourable for adjacent non-polar alkyl spacers to aggregate in polar electrolytes, leading to backbone twisting. Further spectroscopic measurements corroborate this prediction. Our findings demonstrate the active interactions between side chain structure, MW and electrolyte/solvent polarity in influencing polymer performance, underscoring the importance of considering solvation environment effects on polymer conformation when designing new mixed conducting CPs for electrochemical applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗