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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
NASA NTRS2007

A Decision Tool that Combines Discrete Event Software Process Models with System Dynamics Pieces for Software Development Cost Estimation and Analysis

The development process for a large software development project is very complex and dependent on many variables that are dynamic and interrelated. Factors such as size, productivity and defect injection rates will have substantial impact on the project in terms of cost and schedule. These factors can be affected by the intricacies of the process itself as well as human behavior because the process is very labor intensive. The complex nature of the development process can be investigated with software development process models that utilize discrete event simulation to analyze the effects of process changes. The organizational environment and its effects on the workforce can be analyzed with system dynamics that utilizes continuous simulation. Each has unique strengths and the benefits of both types can be exploited by combining a system dynamics model and a discrete event process model. This paper will demonstrate how the two types of models can be combined to investigate the impacts of human resource interactions on productivity and ultimately on cost and schedule.

Mizell, Carolyn Barrett↗
DOE OSTI2024

ezAlign: A Tool for Converting Coarse-Grained Molecular Dynamics Structures to Atomistic Resolution for Multiscale Modeling

Soft condensed matter is challenging to study due to the vast time and length scales that are necessary to accurately represent complex systems and capture their underlying physics. Multiscale simulations are necessary to study processes that have disparate time and/or length scales, which abound throughout biology and other complex systems. Herein we present ezAlign, an open-source software for converting coarse-grained molecular dynamics structures to atomistic representation, allowing multiscale modeling of biomolecular systems. The ezAlign v1.1 software package is publicly available for download at github.com/LLNL/ezAlign. Its underlying methodology is based on a simple alignment of an atomistic template molecule, followed by position-restraint energy minimization, which forces the atomistic molecule to adopt a conformation consistent with the coarse-grained molecule. The molecules are then combined, solvated, minimized, and equilibrated with position restraints. Validation of the process was conducted on a pure POPC membrane and compared with other popular methods to construct atomistic membranes. Additional examples, including surfactant self-assembly, membrane proteins, and more complex bacterial and human plasma membrane models, are also presented. By providing these examples, parameter files, code, and an easy-to-follow recipe to add new molecules, this work will aid future multiscale modeling efforts.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Neutrons reveal the dynamics of leaf thylakoids in living plants

The study is the first known exploration of photosynthetic membranes dynamics in living plants by high resolution quasielastic neutron scattering spectroscopy. We investigated the mobility and flexibility of thylakoid membranes in common duckweed (Landoltia punctata) and identified dynamics across various length scales corresponding to individual membranes and membranes stack. We employed classical models typically used to study lipid bilayers to characterize the undulation modes and rigidity of the membranes and reveal how structural variations influence the observed complex dynamics. Our findings show that the stacks of thylakoids in duckweed behave as rigid systems, exhibiting an effective bending coefficient in the lower range associated with surfactant membranes. In contrast, the single thylakoid leaflets display greater apparent flexibility and are well situated within the bi-continuous surfactant phase dynamics. While our observations enhance the understanding of the intricate architecture and mobility of photosynthetic cellular machinery, they also highlight the limitations of applying ideal lipid membranes models to describe complex biological systems. This work opens more questions and the need for further investigations across extended length and time scales, as well as the importance of rigorous sample preparation and experimental control.

Applied physics↗
NASA NTRSDate not supplied

Coupling a Computational Fluid Dynamics Model to a Spacecraft Thermal System Model for the DraMS Instrument Thermal Analysis

The Dragonfly Mass Spectrometer (DraMS) is an instrument on the Dragonfly mission, which will spend 7 years in deep space cruise before landing and operating on the surface of Titan. Vacuum thermal analyses are required for deep space cruise, and convection analyses are required for the Titan surface operations. Model exchanges across multiple thermal teams are needed for all phases of the mission. For DraMS, Thermal Desktop® (TD) has been the main thermal analytical tool of choice due to its capability in modeling complex thermal systems with relatively low computational power and for its availability across thermal teams. However, TD does not have computational fluid dynamics (CFD) capability and struggles to accurately capture complex convective behavior. DraMS has fans operating in tandem and gas flow behaviors are not easily predicted due to its complex flow paths. CFD software, such as Fluent, can model and predict such complex flow behaviors, but CFD models are computationally expensive, and its workflow processes are not tailored towards simulating large and complex systems. Therefore, a coupled modeling approach was chosen for DraMS: A TD model was used for simulating all the conductive, radiative, and source terms, while a Fluent CFD model was added on, as needed, to the TD model to provide the convective boundary conditions using the System Coupling software. The coupling software allows the TD and Fluent models to communicate data and arrive at a co-solved and co-converged solution. Furthermore, Thermal Iso-value Exchange (TIE) method was developed to facilitate and improve the TD-Fluent data exchange process. This paper will discuss the analytical studies that were done to verify the accuracy and usability of the coupled approach and the challenges associated, which lead to the development of the TIE approach. DraMS thermal design and co-solved analysis results will also be discussed.

Heat transfer↗
DOE OSTI2025

Shape-anisotropy inverses the behavior of emergent vortices in active chiral fluids

Active colloidal fluids exhibit spontaneous emergence of correlated states, characterized by complex collective dynamics and self-organization. In geometrically confined systems, activity modulations trigger robust polar state reversals of a macroscopic vortex formed by colloidal rollers. Here, we reveal that the shape anisotropy of dielectric rollers transforms the system into a chiral active fluid comprised of rollers of arbitrary handedness. The chiral rollers self-assemble into multiple freestanding vortices with a spontaneously selected sense of rotation. We demonstrate that upon reactivation of the system after a complete cessation of activity beyond all relevant timescales, the vortices simultaneously restore their previous chiral states in striking contrast to the chiral state reversals demonstrated by spherical rollers. The analysis reveals that shape-anisotropy modifies the collective state memory of the ensemble. The findings provide insights into the emergence of complex collective behavior in chiral colloidal fluids governed by an interplay between shape anisotropy, chiral motion, and activity modulations.

Colloids↗
NASA NTRSDate not supplied

Coupling a Computational Fluid Dynamics (CFD) Model to a Spacecraft Thermal System Model for the DraMS Instrument Thermal Analysis

The Dragonfly Mass Spectrometer (DraMS) is an instrument on the Dragonfly mission, which will spend 7 years in deep space cruise before landing and operating on the surface of Titan. Vacuum thermal analyses are required for deep space cruise, and convection analyses are required for the Titan surface operations. Model exchanges across multiple thermal teams are needed for all phases of the mission. For DraMS, Thermal Desktop (TD) has been the main thermal analytical tool of choice due to its capability in modeling complex thermal systems with relatively low computational power and for its availability across thermal teams. However, TD does not have computational fluid dynamics (CFD) capability and struggles to accurately capture complex convective behavior. DraMS has fans operating in tandem and gas flow behaviors are not easily predicted due to its complex flow paths. CFD software, such as Fluent, can model and predict such complex flow behaviors, but CFD models are computationally expensive, and its workflow processes are not tailored towards simulating large and complex systems. Therefore, a coupled modeling approach was chosen for DraMS: A TD model was used for simulating all the conductive, radiative, and source terms, while a Fluent CFD model was added on, as needed, to the TD model to provide the convective boundary conditions using the System Coupling software. The coupling software allows the TD and Fluent models to communicate data and arrive at a co-solved and co-converged solution. Furthermore, Thermal Iso-value Exchange (TIE) method was developed to facilitate and improve the TD-Fluent data exchange process. This paper will discuss the analytical studies that were done to verify the accuracy and usability of the coupled approach and the challenges associated, which lead to the development of the TIE approach. DraMS thermal design and co-solved analysis results will also be discussed.

heat transfer↗
NASA NTRS2022

Co-leveraging Scientific Advances in Space Biology and Astrobiology Towards Achieving NASA’s Life Science Objectives

Executive Summary: Distinct lines of scientific inquiry drives the separation of NASA’s fundamental life science research into Space Biology and Astrobiology. This division developed as a way to place life scientists alongside experts in the physical constraints that define the acclimation, adaptation and evolution of biology systems relevant to their respective subjects. For astrobiology, integration with disciplines such as geology, geochemistry, astronomy, planetary science, etc., enables a comprehensive assessment of the physical environment and its co-evolution with biological processes. Space Biology’s co-location with Physical Sciences places life science researchers adjacent to experts in the physical phenomena associated with microgravity and spaceflight, enabling an understanding of how the spaceflight environment affects biological systems. Despite this separation, aspects of both disciplines have converged on a similar, fundamental objective: to describe and understand the dynamics of complex living communities in the contexts of their physical environments. While the environmental systems and timescales are dramatically different, continuing to motivate the separation into distinct fields, similarities in the underlying objective present opportunities to find efficiencies, reduce overlap, and minimize duplication of effort. Space Biology and Astrobiology share a common need to understand microbial physiology in extreme environments – whether the ‘built’ spaceflight environment or the natural environments in which many astrobiology studies are conducted. In particular, open questions in each discipline require the development of quantitative frameworks, applicable at the ecosystem level, that support predictive capabilities for environments where observations are sparse. Additionally, both disciplines have a need to prepare, detect, and analyze the (potential) biological signal in complex samples-often in a completely autonomous fashion. The next decade will see NASA Space Biology moving to understand and describe the effects of the beyond low-earth orbit (BLEO) spaceflight environment on living systems. This new direction will dramatically reduce the opportunities for ground-based analysis of space-flown samples, driving space biology investigations towards fully autonomous experiments and missions. At the same time, astrobiology life detection missions aimed at detecting biosignatures on Mars and icy moons in the outer solar system could benefit from fully automated sample processing and analysis. There are opportunities to leverage instrument and method development between both disciplines within the context of these BLEO missions.

Astrobiology↗
NASA NTRS1977

An introduction to orbit dynamics and its application to satellite-based earth monitoring systems

The long term behavior of satellites is studied at a level of complexity suitable for the initial planning phases of earth monitoring missions. First-order perturbation theory is used to describe in detail the basic orbit dynamics of satellite motion around the earth and relative to the sun. Surface coverage capabilities of satellite orbits are examined. Several examples of simulated observation and monitoring missions are given to illustrate representative applications of the theory. The examples stress the need for devising ways of maximizing total mission output in order to make the best possible use of the resultant data base as input to those large-scale, long-term earth monitoring activities which can best justify the use of satellite systems.

Brooks, D. R.↗
NASA NTRS2003

Performance Analysis of a Hybrid Overset Multi-Block Application on Multiple Architectures

This paper presents a detailed performance analysis of a multi-block overset grid compu- tational fluid dynamics app!ication on multiple state-of-the-art computer architectures. The application is implemented using a hybrid MPI+OpenMP programming paradigm that exploits both coarse and fine-grain parallelism; the former via MPI message passing and the latter via OpenMP directives. The hybrid model also extends the applicability of multi-block programs to large clusters of SNIP nodes by overcoming the restriction that the number of processors be less than the number of grid blocks. A key kernel of the application, namely the LU-SGS linear solver, had to be modified to enhance the performance of the hybrid approach on the target machines. Investigations were conducted on cacheless Cray SX6 vector processors, cache-based IBM Power3 and Power4 architectures, and single system image SGI Origin3000 platforms. Overall results for complex vortex dynamics simulations demonstrate that the SX6 achieves the highest performance and outperforms the RISC-based architectures; however, the best scaling performance was achieved on the Power3.

Djomehri, M. Jahed↗
NASA NTRS2007

Interactions of the SAP Domain of Human Ku70 with DNA Substrate: A Molecular Dynamics Study

NASA is developing a systems biology approach to improve the assessment of health risks associated with space radiation. The primary toxic and mutagenic lesion following radiation exposure is the DNA double strand break (DSB), thus a model incorporating proteins and pathways important in response and repair of this lesion is critical. One key protein heterodimer for systems models of radiation effects is the Ku70/80 complex. The Ku70/80 complex is important in the initial binding of DSB ends following DNA damage, and is a component of nonhomologous end joining repair, the primary pathway for DSB repair in mammalian cells. The SAP domain of Ku70 (residues 556-609), contains an a helix-extended strand-helix motif and similar motifs have been found in other nucleic acid-binding proteins critical for DNA repair. However, the exact mechanism of damage recognition and substrate specificity for the Ku heterodimer remains unclear in part due to the absence of a high-resolution structure of the SAP/DNA complex. We performed a series of molecular dynamics (MD) simulations on a system with the SAP domain of Ku70 and a 10 base pairs DNA duplex. Large-scale conformational changes were observed and some putative binding modes were suggested based on energetic analysis. These modes are consistent with previous experimental investigations. In addition, the results indicate that cooperation of SAP with other domains of Ku70/80 is necessary to explain the high affinity of binding as observed in experiments.

Hu, Shaowen↗
NASA NTRS2011

Man-Machine Integration Design and Analysis System (MIDAS) v5: Augmentations, Motivations, and Directions for Aeronautics Applications

As automation and advanced technologies are introduced into transport systems ranging from the Next Generation Air Transportation System termed NextGen, to the advanced surface transportation systems as exemplified by the Intelligent Transportations Systems, to future systems designed for space exploration, there is an increased need to validly predict how the future systems will be vulnerable to error given the demands imposed by the assistive technologies. One formalized approach to study the impact of assistive technologies on the human operator in a safe and non-obtrusive manner is through the use of human performance models (HPMs). HPMs play an integral role when complex human-system designs are proposed, developed, and tested. One HPM tool termed the Man-machine Integration Design and Analysis System (MIDAS) is a NASA Ames Research Center HPM software tool that has been applied to predict human-system performance in various domains since 1986. MIDAS is a dynamic, integrated HPM and simulation environment that facilitates the design, visualization, and computational evaluation of complex man-machine system concepts in simulated operational environments. The paper will discuss a range of aviation specific applications including an approach used to model human error for NASA s Aviation Safety Program, and what-if analyses to evaluate flight deck technologies for NextGen operations. This chapter will culminate by raising two challenges for the field of predictive HPMs for complex human-system designs that evaluate assistive technologies: that of (1) model transparency and (2) model validation.

Gore, Brian F.↗
DOE OSTI2026

Emerging mobile lidar technology to study boundary layer winds influenced by operating turbines

The development of a microjoule-class pulsed Doppler lidar and deployment of this compact system on mobile platforms such as aircraft, ships, or trucks have opened a new opportunity to characterize the dynamics of complex mesoscale wind flows. The PickUp-based Mobile Atmospheric Sounder (PUMAS) truck-based lidar system was recently used during the American Wake Experiment (AWAKEN) to assess the general structure of boundary layer (BL) wind and turbulence around wind turbines in central Oklahoma. Wind speed profiles averaged over PUMAS transects influenced by the operating turbines (waked flow) show a 1–2 m s −1 reduction compared to mean undisturbed (free flow) wind speed profiles. Spatial variability in wind speed was observed in time–height cross-sections at different distances from turbines. The wind speeds were about 9–12 m s −1 at 6 km distance compared to 5–7 m s −1 at the transects near the turbines. The PUMAS dataset from AWAKEN demonstrated the capability of the mobile Doppler lidar system to document spatial variability in wind flows at different distances from wind turbines and obtain quantitative estimates of wind speed reduction in the waked flow. The high-frequency, simultaneous measurements of the horizontal and vertical winds provide a new approach for characterizing dynamic processes critical for wind farm wake analyses.

17 WIND ENERGY↗
DOE OSTI2025

Tree tensor network hierarchical equations of motion based on time-dependent variational principle for efficient open quantum dynamics in structured thermal environments

In this work, we introduce an efficient method, TTN-HEOM, for exactly calculating the open quantum dynamics for driven quantum systems interacting with highly structured bosonic baths by combining the tree tensor network (TTN) decomposition scheme with the bexcitonic generalization of the numerically exact hierarchical equations of motion (HEOM). The method yields a series of quantum master equations for all core tensors in the TTN that efficiently and accurately capture the open quantum dynamics for non-Markovian environments to all orders in the system–bath interaction. These master equations are constructed based on the time-dependent Dirac–Frenkel variational principle, which isolates the optimal dynamics for the core tensors given the TTN ansatz. The dynamics converges to the HEOM when increasing the rank of the core tensors, a limit in which the TTN ansatz becomes exact. We introduce TENSO, tensor equations for non-Markovian structured open systems, as a general-purpose Python code to propagate the TTN-HEOM dynamics. We implement three general propagators for the coupled master equations: two fixed-rank methods that require a constant memory footprint during the dynamics and one adaptive-rank method with a variable memory footprint controlled by the target level of computational error. We exemplify the utility of these methods by simulating a two-level system coupled to a structured bath containing one Drude–Lorentz component and eight Brownian oscillators, which is beyond what can presently be computed using the standard HEOM. Our results show that the TTN-HEOM is capable of simulating both dephasing and relaxation dynamics of driven quantum systems interacting with structured baths, even those of chemical complexity, with an affordable computational cost.

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

Leveraging System Dynamics to Predict the Commercialization Success of Emerging Energy Technologies: Lessons from Wind Energy

The United States urgently needs to tackle the climate crisis while enhancing energy security and resiliency. The complexity of the U.S. energy system, with its interconnected elements, makes predicting future states challenging, especially with the introduction of novel energy systems like wind, solar, clean hydrogen, and advanced nuclear technologies. Modern systems engineering methods and tools can provide deeper insights into these dynamics and future behaviors. This research aims to develop a comprehensive model that captures the main elements and behaviors of new energy technologies within the existing energy system. We hypothesized that the market uptake of novel energy systems is influenced by multiple diverse factors, such as technological learning, availability of resources, and economic incentives; examined the history of electricity generation using land-based wind technologies; and developed a system dynamics model to investigate the relationships between capacity growth and influencing factors, both internal and external. The developed model yielded outcomes that confirmed the hypothesized dynamics of wind energy system diffusion through a quantitative comparison of installed capacity and highlighted the significant influence of resource availability, federal incentives (production tax credits), and technological learning on capacity growth and cost reduction. This research aims to support informed decision-making for investments in novel energy systems and aid in developing effective policies for technology deployment.

17 WIND ENERGY↗
NASA NTRS1975

Test procedures and performance measures sensitive to automobile steering dynamics

A maneuver complex and related performance measures used to evaluate driver/vehicle system responses as effected by variations in the directional response characteristics of passenger cars are described. The complex consists of normal and emergency maneuvers (including random and discrete disturbances) which, taken as a whole, represent all classes of steering functions and all modes of driver response behavior. Measures of driver/vehicle system response and performance in regulation tasks included direct describing function measurements and rms yaw velocity. In transient maneuvers, measures such as steering activity and cone strikes were used.

Klein, R. H.↗
DOE OSTI2024

Statistical mechanics and pressure of composite multimoded weakly nonlinear optical systems

Statistical mechanics can provide a versatile theoretical framework for investigating the collective dynamics of weakly nonlinear-wave settings that can be utterly complex to describe otherwise. In optics, composite systems arise due to interactions between different frequencies and polarizations. The purpose of this work is to develop a thermodynamic theory that takes into account the synergistic action of multiple components. We find that the type of the nonlinearity involved can have important implications in the thermalization process and, hence, can lead to different thermal equilibrium conditions. Importantly, we derive closed-form expressions for the actual optomechanical pressure that is exerted on the system. In particular, the total optomechanical pressure is the sum of the partial pressures due to each component. Our results can be applied to a variety of weakly nonlinear optical settings such as multimode fibers, bulk waveguides, photonic lattices, and coupled microresonators. We present two specific examples, where two colors interact in a one-waveguide array with either a cubic or quadratic nonlinearity.

Efremidis, Nikolaos K. (ORCID:0000000298300268)↗
NASA NTRS1988

Robustness with real parametric and structured complex uncertainty

The problem of robust stability and performance in feedback control systems with n real (possibly related) uncertain parameters and structured unmodeled dynamics (the latter taking the form of m complex blocks dynamic uncertainties) is considered. A robustness margin rm is defined with respect to such model uncertainty structure and an algorithm is developed to compute it. Robust stability and performance are characterized in terms of r sub m or the structured singular value mu. An iterative procedure using the above algorithm is given to compute tight bounds on k sub m and mu. These bounds are exact for the case m = 3 or less.

Pena, Ricardo S. Sanchez↗
NASA NTRS2015

An Integrated Framework for Modeling Air Carrier Behavior, Policy, and Impacts in the U.S. Air Transportation System

The implementation of the Next Generation Air Transportation System (NextGen) in the United States is an ongoing challenge for policymakers due to the complexity of the air transportation system (ATS) with its broad array of stakeholders and dynamic interdependencies between them. The successful implementation of NextGen has a hard dependency on the active participation of U.S. commercial airlines. To assist policymakers in identifying potential policy designs that facilitate the implementation of NextGen, the National Aeronautics and Space Administration (NASA) and LMI developed a research framework called the Air Transportation System Evolutionary Simulation (ATS-EVOS). This framework integrates large empirical data sets with multiple specialized models to simulate the evolution of the airline response to potential future policies and explore consequential impacts on ATS performance and market dynamics. In the ATS-EVOS configuration presented here, we leverage the Transportation Systems Analysis Model (TSAM), the Airline Evolutionary Simulation (AIRLINE-EVOS), the Airspace Concept Evaluation System (ACES), and the Aviation Environmental Design Tool (AEDT), all of which enable this research to comprehensively represent the complex facets of the ATS and its participants. We validated this baseline configuration of ATS-EVOS against Airline Origin and Destination Survey (DB1B) data and subject matter expert opinion, and we verified the ATS-EVOS framework and agent behavior logic through scenario-based experiments that explored potential implementations of a carbon tax, congestion pricing policy, and the dynamics for equipage of new technology by airlines. These experiments demonstrated ATS-EVOS's capabilities in responding to a wide range of potential NextGen-related policies and utility for decision makers to gain insights for effective policy design.

Horio, Brant M.↗