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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Posterior comparison of model dynamics in several hybrid turbulence model forms

Hybrid turbulence models that can accurately reproduce unsteady three-dimensional flow physics across the entire range of grid scales and turbulence dynamics from Reynolds-averaged Navier–Stokes (RANS), through large-eddy simulation (LES), down to direct numerical simulations (DNS) are of increasing interest to the turbulence modeling community. However, despite decades of research and development, the basic tasks of eliminating poor-performing hybrid RANS-LES models and accelerating adoption of superior models through well-designed validation and verification have yet to occur. As a step in this direction, in this work we evaluate thirteen different hybrid RANS-LES models via systematic grid refinement of decaying homogeneous isotropic turbulence. We further derive a novel mathematical framework for assessing the energy partitioning dynamics of each Hybrid RANS-LES model, wherein model-to-model variations in energy partitioning can be interpreted as different feedback mechanisms operating on a low-dimensional nonlinear dynamical system. We found that model forms similar to the flow simulation methodology—also often termed very-large eddy simulation—are dynamically inconsistent with DNS at all resolutions. Additionally, we found a strong dynamical similarity in the feedback mechanisms of all models related to detached eddy simulation and partially averaged Navier–Stokes that is inherent to their general model forms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Atomistically resolved hot exciton relaxation dynamics in CdSe quantum dots: Experiment and theory

Semiconductor quantum dots (QDs) are well known to give rise to a quantum confined structure of excitons. Because of this quantum confinement, new physics of hot exciton relaxation dynamics arises. Decades of work using transient absorption (TA) spectroscopy have yielded initial simple observations, such as estimates of the cooling rate from single pump photon energy experiments. More detailed TA experiments employed variable pump photon energies to measure excitonic state-resolved transition rates. These TA measurements, usually the simplest form, have been employed to characterize QDs and their relaxation dynamics to this day. Yet, these TA measurements are fundamentally lacking in their ability to measure energy-resolved hot exciton cooling, which requires observation of the full cooling history through the real excitonic manifold. Here, we employ coherent multi-dimensional spectroscopy (CMDS) to perform an atomistically directed study of hot exciton cooling in CdSe QDs, revealing energy resolved relaxation dynamics. CMDS experiments are compared with simulations and prior TA measurements and simpler theories. Our findings reveal a hot exciton relaxation dynamics landscape. This relaxation dynamics landscape is a linear or sub-linear function of excess energy for different structures of QDs, with a strong size dependence. Our model simulations parameterized by the empirical pseudopotential model reproduces the experimental functional form and the dependence upon QD diameter and shell.

Atomistic simulations↗
DOE OSTI2025

Nonadiabatic dynamics of photoexcited thiopyridone isomers: An interplay between El-Sayed’s conditions and energy gap law

We investigated the non-adiabatic dynamics of photoexcited thiopyridone systems across their ortho-, meta-, and para-isomeric forms. The relaxation pathways of the three isomers in both gas phase and solvent environments are mapped using surface hopping dynamics based on time-dependent density functional theory. Our analysis highlights the influence of isomeric structures on photophysical behavior, offering insights into design principles to control photochemical phenomena. The simulations suggest a systematic reduction in the rate of intersystem crossing (ISC) from ortho- to meta- to para-isomer. Comparisons with multiconfigurational wave function methods in the gas phase further demonstrate how electronic structure influences the predicted dynamical pathways. The simulated dynamics demonstrates that the spin–orbit coupling strength alone does not determine the rate of ISC, as both state energetics and underlying electronic and structural features play decisive roles. These aspects explain the much slower ISC in the para-isomer, as well as the non-negligible role of the El-Sayed forbidden pathway in the computed ISC dynamics.

Complete-active space self-consistent field↗
DOE OSTI2025

Hidden domain boundary dynamics toward crystalline perfection

A central paradigm of nonequilibrium physics concerns the dynamics of heterogeneity and disorder, impacting processes ranging from the behavior of glasses to the emergent functionality of active matter. Understanding these complex mesoscopic systems requires probing the microscopic trajectories associated with irreversible processes, the role of fluctuations and entropy growth, and the timescales on which nonequilibrium responses are ultimately maintained. Approaches that illuminate these processes in model systems may enable a more general understanding of other heterogeneous nonequilibrium phenomena, and potentially define ultimate speed and energy cost limits for information processing technologies. Here, we apply ultrafast single-shot X-ray photon correlation spectroscopy to resolve the nonequilibrium, heterogeneous, and irreversible mesoscale dynamics during a light-induced phase transition in a (PbTiO 3 ) 16 /(SrTiO 3 ) 16 superlattice. Such ferroelectric superlattice systems are a useful platform to study phase transitions and topological dynamics due to their high degree of tunability. This provides an approach for capturing the nucleation of the light-induced phase, the formation of transient mesoscale defects at the boundaries of the nuclei, and the eventual annihilation of these defects, even in systems with complex polarization topologies. We identify a nonequilibrium correlation response spanning >10 orders of magnitude in timescales, with multistep behavior similar to the plateaus observed in supercooled liquids and glasses. We further show how the observed time-dependent long-time correlations can be understood in terms of stochastic and non-Markovian dynamics of domain walls, encoded in waiting-time distributions with power-law tails. This work defines possibilities for probing the nonequilibrium and correlated dynamics of disordered and heterogeneous media.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Transfer learning nonlinear plasma dynamic transitions in low dimensional embeddings via deep neural networks

Deep learning algorithms provide a new paradigm to study high-dimensional dynamical behaviors, such as those in fusion plasma systems. Development of novel, data-driven model reduction methods, coupled with detection of abnormal modes with plasma physics, opens a unique opportunity to identify plasma instabilities through automated construction of parsimonious models that can be tuned to balance accuracy and cost. Our fusion transfer learning (FTL) model demonstrates success in rapidly reconstructing nonlinear kink mode structures by learning from a limited amount of nonlinear simulation data. The knowledge transfer process leverages a pre-trained neural encoder–decoder network, initially trained on linear simulations, to effectively capture nonlinear dynamics. The low-dimensional embeddings extract the coherent structures of interest, while preserving the inherent dynamics of the complex system. Experimental results highlight FTL’s capacity to capture transitional behaviors and dynamical features in plasma dynamics—a task often challenging for conventional methods. The model developed in this study is generalizable and can be extended broadly through transfer learning to address various magnetohydrodynamics modes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Network-Aware and Welfare-Maximizing Dynamic Pricing for Energy Sharing

The proliferation of behind-the-meter (BTM) distributed energy resources (DER) within the electrical distribution network presents significant supply and demand flexibilities, but also introduces operational challenges such as voltage spikes and reverse power flows. In response, this paper proposes a network-aware dynamic pricing framework tailored for energy-sharing coalitions that aggregate small, but ubiquitous, BTM DER downstream of a distribution system operator's (DSO) revenue meter that adopts a generic net energy metering (NEM) tariff. By formulating a Stackelberg game between the energy-sharing market leader and its prosumers, we show that the dynamic pricing policy induces the prosumers toward a network-safe operation and decentrally maximizes the energysharing social welfare. The dynamic pricing mechanism involves a combination of a locational ex-ante dynamic price and an ex-post allocation, both of which are functions of the energy sharing's BTM DER. The ex-post allocation is proportionate to the price differential between the DSO NEM price and the energy-sharing locational price. Simulation results using real DER data and the IEEE 13-bus test systems illustrate the dynamic nature of network-aware pricing at each bus, and its impact on voltage.

aggregates↗
DOE OSTI2025

California annual grass phenology and allometry influence ecosystem dynamics and fire regime in a vegetation demography model

Grass-dominated ecosystems cover wide areas of the land surface yet have received far less attention from the Earth System Model (ESM) community. This limits model projections of ecosystem dynamics in response to global change and coupled vegetation–climate dynamics. We used the Functionally Assembled Terrestrial Ecosystem Simulator (FATES), a dynamic vegetation demography model, to determine ecosystem sensitivity to alternate, observed grass allometries and biophysical traits, and evaluated model performance in capturing California C 3 annual grasslands structure and fire regimes. Grass allometry, leaf physiology, plant phenology, and plant mortality all drove the seasonal variation in matter and energy exchange and fire dynamics in California annual grasslands. Allometry influenced grassland structure and function mainly through canopy architecture-mediated space and light competition instead of through carbon partitioning strategy. Regional variation in grassland annual burned area was driven by variation in ecosystem productivity. Our study advances the modeling of grassy ecosystems in ESMs by establishing the importance of grass allometry and plant phenology and mortality in driving C 3 annual grassland seasonal dynamics and fire regime. The calibrated annual grass allometry and biophysical traits presented can be applied in future studies to project climate–vegetation–fire feedbacks in annual grass-dominant ecosystems under global change.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

A consensus mathematical model of vaccine-induced antibody dynamics for multiple vaccine platforms and pathogens

Introduction: Vaccine platforms used in successful, licensed vaccines have varied among pathogens. However, antibody level is still the main clinical correlate of protection in most approved vaccines. Decisions as to the best vaccine platform to pursue for a given pathogen may be informed through improved understanding of the process of antibody generation and its temporal dynamics, as well as the relationship between these processes and the type of vaccine. Methods: We have analyzed the dynamics of antibody generation for different vaccine platforms against diverse pathogens, and developed a consensus mathematical model that captures antibody dynamics across these diverse systems. Initially, the model was fitted to a rich dataset of antibody and immune cell concentrations in a SARS-CoV-2 vaccine experiment. We then used concepts from machine learning, such as transfer learning, to apply the same model to a variety of systems, involving different pathogens, vaccine platforms, and booster dose use/timing, fixing most parameter values relating to the dynamics of the immune system. Results: The model includes B cell proliferation and differentiation, as well as the generation of plasma cells, which secrete large amounts of antibody, and memory B cells. Overall, the model describes antibody generation in all systems tested well and shows that the main differences across platforms are related to the dynamics of antigen presentation. Discussion: This model can be used to predict antibody generation in pairs of vaccine platform/pathogen, allowing for the use of in silico results to narrow down experimental burden in vaccine development.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Conformer-Specific Dissociation Dynamics in Dimethyl Methylphosphonate Radical Cation

The dynamics of the dimethyl methylphosphonate (DMMP) radical cation after production by strong field adiabatic ionization have been investigated. Pump-probe experiments using strong field 1300 nm pulses to adiabatically ionize DMMP and a 800 nm non-ionizing probe induce coherent oscillations of the parent ion yield with a period of about 45 fs. The yields of two fragments, PO 2 C 2 H 7 + and PO 2 CH 4 + , oscillate approximately out of phase with the parent ion, but with a slight phase shift relative to each other. We use electronic structure theory and nonadiabatic surface hopping dynamics to understand the underlying dynamics. The results show that while the cation oscillates on the ground state along the P=O bond stretch coordinate, the probe excites population to higher electronic states that can lead to fragments PO 2 C 2 H 7 + and PO 2 CH 4 + . The computational results combined with the experimental observations indicate that the two conformers of DMMP that are populated under experimental conditions exhibit different dynamics after being excited to the higher electronic states of the cation leading to different dissociation products. These results highlight the potential usefulness of these pump-probe measurements as a tool to study conformer-specific dynamics in molecules of biological interest.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Tuning Solvation Dynamics of Electrolytes at Their Eutectic Point Through Halide Identity

Deep eutectic solvents (DESs) are regarded as highly promising solvent systems for redox flow batteries. DESs, composed of choline halides (ChX, X = F − , Cl − , Br − , I − ) and ethylene glycol (EG), exhibit distinct physicochemical properties at their eutectic points, including halide-dependent phase behavior, viscosity, polarity, conductivity, and solvation dynamics. In this study, we investigate the effects of the halide identity on the solvation properties of ChX:EG mixtures at varying mol % of ChX salt content. The solvatochromic polarity based on ET(30) measurements indicates higher polarity for larger halides (I − > Br − ) than for smaller halides (Cl − > F − ), which exhibit larger compensating solvation shells. The ionic conductivity follows the trend of the solvent fluidity (the inverse of the viscosity), namely ChCl > ChBr > ChI > ChF, influenced by the ion mobility and solvodynamic radii. Measurements of the liquidus temperatures (T L ) reveal that the system with ChCl exhibits the deepest eutectic point (at ~20 mol % ChCl), while ChBr and ChI have shallower minima at ~10 mol % ChBr and ~3 mol % ChI, respectively. ChF does not display a eutectic transition but instead appears to readily supercool at salt concentrations above 30 mol % ChF. Consistent with the phase transition measurements, femtosecond transient absorption spectroscopy shows that in the ChCl system, the solvation dynamics become faster with an increasing salt concentration up to ~16.67 mol %, after which the dynamics slow down with further increases in the salt content. The ChF-based system exhibits similar behavior, though with slower dynamics. In contrast, the solvation dynamics of the systems containing ChBr and ChI monotonously slow down with an increasing salt concentration, in agreement with the phase transition measurements, which show that the eutectic points occur at low salt concentrations. These measurements suggest that the solvent composition and, in particular, the identity of the halide anion play a significant role in the solvation behavior of these ethylene-glycol-based DESs, offering a foundation for tuning the DES properties for specific applications.

Biochemistry & Molecular Biology↗
NASA NTRS1965

The Dynamics of Solid Propellant Rocket Motors

From the point of view of dynamics, a solid propellant rocket motor is a unique structure in that it is composed of a substantial mass of propellant material case-bonded to a relatively massless, thin-walled cylinder. The mechanical properties of the propellant are such that it contributes little to the stiffness of the composite structure but it does contribute to the dynamic characteristics of the structure because of its mass. Furthermore, due to the viscoelastic character of the propellant, it can be expected to provide considerable damping to the system. At this point in the development of the art of design of solid propellant rocket motors there are no clear-cut or well-founded methods to evaluate quantitatively the contributions of the propellant to the dynamic responses of the composite structure. It is clear that unless such methods are devised, it will be difficult to arrive at accurate missile designs. In this paper a survey of the dynamic problems of solid propellant rocket motors is presented starting from the simplest model thereof and proceeding, step-by-step, to the consideration of more sophisticated and realistic models. The consideration is restricted to infinitesimal deformations of propellant grains with linear mechanical properties. Substantial progress has been achieved towards the solution of many important dynamical problems. We shall attempt to summarize the pertinent developments and indicate along which lines we feel future study should proceed. A few illustrative solutions are included in areas wherein progress has been substantial.

DYNAMIC RESPONSE↗
NASA NTRS2013

Coupled Vortex-Lattice Flight Dynamic Model with Aeroelastic Finite-Element Model of Flexible Wing Transport Aircraft with Variable Camber Continuous Trailing Edge Flap for Drag Reduction

This paper presents a coupled vortex-lattice flight dynamic model with an aeroelastic finite-element model to predict dynamic characteristics of a flexible wing transport aircraft. The aircraft model is based on NASA Generic Transport Model (GTM) with representative mass and stiffness properties to achieve a wing tip deflection about twice that of a conventional transport aircraft (10% versus 5%). This flexible wing transport aircraft is referred to as an Elastically Shaped Aircraft Concept (ESAC) which is equipped with a Variable Camber Continuous Trailing Edge Flap (VCCTEF) system for active wing shaping control for drag reduction. A vortex-lattice aerodynamic model of the ESAC is developed and is coupled with an aeroelastic finite-element model via an automated geometry modeler. This coupled model is used to compute static and dynamic aeroelastic solutions. The deflection information from the finite-element model and the vortex-lattice model is used to compute unsteady contributions to the aerodynamic force and moment coefficients. A coupled aeroelastic-longitudinal flight dynamic model is developed by coupling the finite-element model with the rigid-body flight dynamic model of the GTM.

Flexible Aicraft↗
NASA NTRS2014

Application of the Tool for Turbine Engine Closed-loop Transient Analysis (TTECTrA) for Dynamic Systems Analysis

Systems analysis involves steady-state simulations of combined components to evaluate the steady-state performance, weight, and cost of a system; dynamic considerations are not included until later in the design process. The Dynamic Systems Analysis task, under NASAs Fixed Wing project, is developing the capability for assessing dynamic issues at earlier stages during systems analysis. To provide this capability the Tool for Turbine Engine Closed-loop Transient Analysis (TTECTrA) has been developed to design a single flight condition controller (defined as altitude and Mach number) and, ultimately, provide an estimate of the closed-loop performance of the engine model. This tool has been integrated with the Commercial Modular Aero-Propulsion System Simulation 40,000 (CMAPSS 40k) engine model to demonstrate the additional information TTECTrA makes available for dynamic systems analysis. This dynamic data can be used to evaluate the trade-off between performance and safety, which could not be done with steady-state systems analysis data. TTECTrA has been designed to integrate with any turbine engine model that is compatible with the MATLAB Simulink (The MathWorks, Inc.) environment.

control↗
NASA NTRS2014

Application of the Tool for Turbine Engine Closed-loop Transient Analysis (TTECTrA) for Dynamic Systems Analysis

Systems analysis involves steady-state simulations of combined components to evaluate the steady-state performance, weight, and cost of a system; dynamic considerations are not included until later in the design process. The Dynamic Systems Analysis task, under NASAs Fixed Wing project, is developing the capability for assessing dynamic issues at earlier stages during systems analysis. To provide this capability the Tool for Turbine Engine Closed-loop Transient Analysis (TTECTrA) has been developed to design a single flight condition controller (defined as altitude and Mach number) and, ultimately, provide an estimate of the closed-loop performance of the engine model. This tool has been integrated with the Commercial Modular Aero-Propulsion System Simulation 40,000(CMAPSS40k) engine model to demonstrate the additional information TTECTrA makes available for dynamic systems analysis. This dynamic data can be used to evaluate the trade-off between performance and safety, which could not be done with steady-state systems analysis data. TTECTrA has been designed to integrate with any turbine engine model that is compatible with the MATLABSimulink (The MathWorks, Inc.) environment.

systems analysis↗
NASA NTRS2015

Structural Dynamics of Tropical Moist Forest Gaps

Gap phase dynamics are the dominant mode of forest turnover in tropical forests. However, gap processes are infrequently studied at the landscape scale. Airborne lidar data offer detailed information on three-dimensional forest structure, providing a means to characterize fine-scale (1 m) processes in tropical forests over large areas. Lidar-based estimates of forest structure (top down) differ from traditional field measurements (bottom up), and necessitate clear-cut definitions unencumbered by the wisdom of a field observer. We offer a new definition of a forest gap that is driven by forest dynamics and consistent with precise ranging measurements from airborne lidar data and tall, multi-layered tropical forest structure. We used 1000 ha of multi-temporal lidar data (2008, 2012) at two sites, the Tapajos National Forest and Ducke Reserve, to study gap dynamics in the Brazilian Amazon. Here, we identified dynamic gaps as contiguous areas of significant growth, that correspond to areas greater than 10 sq m, with height less than 10 m. Applying the dynamic definition at both sites, we found over twice as much area in gap at Tapajos National Forest (4.8%) as compared to Ducke Reserve (2.0%). On average, gaps were smaller at Ducke Reserve and closed slightly more rapidly, with estimated height gains of 1.2 m y-1 versus 1.1 m y-1 at Tapajos. At the Tapajos site, height growth in gap centers was greater than the average height gain in gaps (1.3 m y-1 versus 1.1 m y-1). Rates of height growth between lidar acquisitions reflect the interplay between gap edge mortality, horizontal ingrowth and gap size at the two sites. We estimated that approximately 10% of gap area closed via horizontal ingrowth at Ducke Reserve as opposed to 6% at Tapajos National Forest. Height loss (interpreted as repeat damage and/or mortality) and horizontal ingrowth accounted for similar proportions of gap area at Ducke Reserve (13% and 10%, respectively). At Tapajos, height loss had a much stronger signal (23% versus 6%) within gaps. Both sites demonstrate limited gap contagiousness defined by an increase in the likelihood of mortality in the immediate vicinity ((is) approximately 6 m) of existing gaps.

Structural Dynamics of Tropical Moist Forest Gaps↗
NASA NTRS2017

Combustion Dynamic Characteristics Identification in a 9-point LDI Combustor Under Choked Outlet Boundary Conditions

Combustion dynamics data were collected at the NASA Glenn Research Center's CE-5 flame tube test facility under combustor outlet choked conditions. Two 9-point Swirl-Venturi Lean Direct Injection (SV-LDI) configurations were tested in a rectangular cuboid combustor geometry. Combustion dynamic data were measured at different engine operational conditions up to inlet air pressure and temperature of 24.13 bar and 828 K, respectively. In this study, the effects of acoustic cavity resonance, precessing vortex core (PVC), and non-uniform thermal expansion on the dynamic noise spectrum are identified by comparing the dynamic data that collected at various combustor inlet conditions along with combustor geometric calculations. The results show that the acoustic cavity resonance noises were seen in the counter-rotating pilot configuration but not in the co-rotating pilot configuration. Dynamic pressure noise band at around 0.9 kHz was only detected at the P'41 location (9.8 cm after fuel injector face) but not at the P'42 location (29 cm after the fuel injector face); the amplitude of this noise band depended on the thermal expansion ratio (T4/T3). The noise band at around 1.8 kHz was found to depend on the inlet air pressure or the air density inside the combustor. The PVC frequency was not observed in these two configurations.

lean direct injection↗
NASA NTRS2016

Experimental Combustion Dynamics Behavior of a Multi-Element Lean Direct Injection (LDI) Gas Turbine Combustor

An experimental investigation of the combustion dynamic characteristics of a research multi-element lean direct injection (LDI) combustor under simulated gas turbine conditions was conducted. The objective was to gain a better understanding of the physical phenomena inside a pressurized flametube combustion chamber under acoustically isolated conditions. A nine-point swirl venturi lean direct injection (SV-LDI) geometry was evaluated at inlet pressures up to 2,413 kPa and non-vitiated air temperatures up to 867 K. The equivalence ratio was varied to obtain adiabatic flame temperatures between 1388 K and 1905 K. Dynamic pressure measurements were taken upstream of the SV-LDI, in the combustion zone and downstream of the exit nozzle. The measurements showed that combustion dynamics were fairly small when the fuel was distributed uniformly and mostly due to fluid dynamics effects. Dynamic pressure fluctuations larger than 40 kPa at low frequencies were measured at 653 K inlet temperature and 1117 kPa inlet pressure when fuel was shifted and the pilot fuel injector equivalence ratio was increased to 0.72.

dynamics↗
NASA NTRSDate not supplied

Space Launch System Liftoff and Separation Dynamics Analysis Tool Chain

A flexible, hierarchical tool chain that is being applied to NASA’s Space Launch System (SLS) for critical dynamics phenomena is described. This tool chain, called CLVTOPS, is used to investigate lateral liftoff movement of the vehicle as it departs and clears the mobile launch tower and separation of the two solid rocket boosters without collision with the core stage and payload. The toolset’s architecture was configured to take advantage of a modern software engineering approach for maximum flexibility and utilization of open-source simulations and associated tools. As opposed to a “monolithic” approach, scripting languages were used to “bind” together a tool chain to configure and organize input data, execute and produce analysis results, and post-process these results to facilitate a rapid, iterative analysis process to quickly address issues and pursue alternatives with emphasis on analysis automation. Key capabilities in the tool chain include processing and mining of very large data sets, a wide range of graphical depictions, and high-fidelity, physics-based simulations. The paper begins with a problem description and the motivation for liftoff and separation dynamics analysis followed by a historical survey of dynamics analyses for previous NASA human-rated launch vehicles. Details of the tool chain and its components are then introduced and divided, first, into description of the scripting language architecture used to “bind” the simulation tools, programs, and scripts together and, second, the physics models and simulations. Representative analyses and data products for liftoff and booster separation dynamics are shown in order to provide in-depth insight into the tool chain’s capabilities. Supporting activities such as simulation tool chain verification, version archiving and data management, and training are addressed. The paper concludes with case examples on how the tool chain can be tailored to related aerospace dynamics analyses, both large and small. The flexibility and versatility of this tool chain in supporting analyses of such a diverse range of aerospace applications demonstrates the feasibility of applying these patterns and techniques for tool construction to other aerospace simulations.

6DOF↗