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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 1,297 records · Page 72
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Multimode Jahn-Teller effect in bulk systems: A case of the N V 0 center in diamond

Here, the multimode Jahn-Teller (JT) effect in a bulk system of a neutral nitrogen-vacancy (NV 0 ) center in diamond is investigated via first-principles density-functional-theory calculations and the intrinsic distortion path (IDP) method. The adiabatic potential energy surface of the electronic ground state of the NV 0 center is calculated based on the local spin-density approximation. Our calculations confirm the presence of the dynamic Jahn-Teller effect in the ground 2 E state of the NV 0 center. Within the harmonic approximation, the IDP method provides the reactive path of JT distortion from unstable high-symmetry geometry to stable low-symmetry energy minimum geometry, and it describes the active normal modes participating in the distortion. We find that there is more than one vibrational mode contributing to the distortion, and their contributions change along the IDP. Several vibrational modes with large contributions to JT distortion, especially those modes close to 44 meV, are clearly observed as the phonon sideband in photoluminescence spectra in a series of experiments, indicating that the dynamic Jahn-Teller effect plays an important role in the optical transition of the NV 0 center.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1992

Development of a four-dimensional variational analysis system using the adjoint method at GLA. I - Dynamics

Recent developments in the field of data assimilation have pointed to variational analysis (essentially least-squares fitting of a model solution to observed data) using the adjoint method as a new direction that holds the potential of major improvements over the current optimal interpolation method. This paper describes the initial effort in the development of a 4D variational analysis system. Although the development is based on the Goddard Laboratory for Atmospheres General Circulation Model (GCM), the methods and procedures described in this paper can be applied to any model. The adjoint code that computes the gradients needed in the analysis can be written directly from the GCM code. An easy error-detection technique was devised in the construction of the adjoint model. Also, a method of determining the weights and the preconditioning scales for the cases where model-generated data, which are error free, are used as observation is proposed. Two test experiments show that the dynamics part of the system has been successfully completed.

Chao, Winston C.↗
DOE OSTI2016

S&TR Preview: Smashing Materials to Reveal Unusual Behavior

Squeeze a material hard enough, and its structure and properties will change, sometimes dramatically so. With enough heat and pressure, scientists can turn pencil lead (graphite), one of Earth’s softest materials, into diamond, one of its hardest. Apply even more pressure—such as might be found in explosions, detonating nuclear weapons, laser fusion experiments, meteorite impacts, or the hearts of stars and planets—and materials can take stranger forms. Deep in Jupiter’s core, for instance, where pressures likely reach 50 to 100 million times that of Earth’s atmosphere, hydrogen is predicted to be a metallic liquid rather than the familiar transparent gas.

36 MATERIALS SCIENCE↗
NASA NTRS1997

Computational Fluid Dynamics Analysis Method Developed for Rocket-Based Combined Cycle Engine Inlet

Renewed interest in hypersonic propulsion systems has led to research programs investigating combined cycle engines that are designed to operate efficiently across the flight regime. The Rocket-Based Combined Cycle Engine is a propulsion system under development at the NASA Lewis Research Center. This engine integrates a high specific impulse, low thrust-to-weight, airbreathing engine with a low-impulse, high thrust-to-weight rocket. From takeoff to Mach 2.5, the engine operates as an air-augmented rocket. At Mach 2.5, the engine becomes a dual-mode ramjet; and beyond Mach 8, the rocket is turned back on. One Rocket-Based Combined Cycle Engine variation known as the "Strut-Jet" concept is being investigated jointly by NASA Lewis, the U.S. Air Force, Gencorp Aerojet, General Applied Science Labs (GASL), and Lockheed Martin Corporation. Work thus far has included wind tunnel experiments and computational fluid dynamics (CFD) investigations with the NPARC code. The CFD method was initiated by modeling the geometry of the Strut-Jet with the GRIDGEN structured grid generator. Grids representing a subscale inlet model and the full-scale demonstrator geometry were constructed. These grids modeled one-half of the symmetric inlet flow path, including the precompression plate, diverter, center duct, side duct, and combustor. After the grid generation, full Navier-Stokes flow simulations were conducted with the NPARC Navier-Stokes code. The Chien low-Reynolds-number k-e turbulence model was employed to simulate the high-speed turbulent flow. Finally, the CFD solutions were postprocessed with a Fortran code. This code provided wall static pressure distributions, pitot pressure distributions, mass flow rates, and internal drag. These results were compared with experimental data from a subscale inlet test for code validation; then they were used to help evaluate the demonstrator engine net thrust.

Source record↗
NASA NTRS2003

Low Stretch Solid-Fuel Flame Transient Response to a Step Change in Gravity

The effect of a step change in gravity level on the stability of low stretch diffusion flames over a solid fuel is studied both numerically and experimentally. Drop tower experiments have been conducted in NASA Glenn Research Center's 5.2 Zero Gravity Facility. In the experiments burning PMMA cylinders, a dynamic transition is observed when the steadily burning 1g flame is dropped and becomes a 0g flame. To understand the physics behind this dynamic transition, a transient stagnation point model has been developed which includes gas-phase radiation and solid phase coupling to describe this dynamic process. In this paper, the experimental results are compared with the model predictions. Both model and experiment show that the interior of the solid phase does not have time to change significantly in the few seconds of drop time, so the experimental results are pseudo-steady in the gas-phase, but the solid is inherently unsteady over long time scales. The model is also used to examine the importance of fractional heat losses on extinction, which clearly demonstrates that as the feedback from the flame decreases, the importance of the ongoing heat losses becomes greater, and extinction is observed when these losses represent 80% or more of the flame feedback.

Armstrong, J. B.↗
NASA NTRS1987

A simulation study of the flight dynamics of elastic aircraft. Volume 2: Data

The simulation experiment described addresses the effects of structural flexibility on the dynamic characteristics of a generic family of aircraft. The simulation was performed using the NASA Langley VMS simulation facility. The vehicle models were obtained as part of this research project. The simulation results include complete response data and subjective pilot ratings and comments and so allow a variety of analyses. The subjective ratings and analysis of the time histories indicate that increased flexibility can lead to increased tracking errors, degraded handling qualities, and changes in the frequency content of the pilot inputs. These results, furthermore, are significantly affected by the visual cues available to the pilot.

Waszak, Martin R.↗
DOE OSTI2023

Interplay of molecular dynamics and radiative decay of a TADF emitter in a glass-forming liquid

Herein we investigate the role of molecular dynamics in the luminescent properties of a prototypical thermally activated delayed fluorescence (TADF) emitter, NAI-DMAC, in solution using a combination of temperature dependent time-resolved photoluminescence and absorption spectroscopies. We use a glass forming liquid, 2-methylfuran, to introduce an abrupt change in the temperature dependent diffusion dynamics of the solvent and examine the influence this has on the emission intensity of NAI-DMAC molecules. Comparison of experiment with first principles molecular dynamics simulations reveals that the emission intensity of NAI-DMAC molecules follows the temperature-dependent self-diffusion dynamics of the solvent. A marked reduction of emission intensity is observed as the temperature decreases toward the glass transition because the rate at which NAI-DMAC molecules can access emissive molecular conformations is greatly reduced. Below the glass transition, the diffusion dynamics of the solvent changes more slowly with temperature, which causes the emission intensity to decrease more slowly as well. The combination of experiment and computation suggests a pathway by which TADF emitters may transiently access a distribution of conformational states and avoid the need for an average conformation that strikes a balance between lower singlet–triplet energy splittings versus higher emission probabilities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Counterintuitive Trend of Intrusion Pressure with Temperature in the Hydrophobic Cu 2 (tebpz) MOF

Liquid porosimetry experiments reveal a peculiar trend of the intrusion pressure of water in hydrophobic Cu 2 (3,3',5,5'-tetraethyl-4,4'-bipyrazolate) MOF. At lower temperature (T) range, the intrusion pressure (P i ) increases with T. For higher T values, P i first reaches a maximum and then decreases. This is at odds with the Young–Laplace law, which for systems showing a continuous decrease of contact angle with T predicts a corresponding reduction of the intrusion pressure. Though the Young–Laplace law is not expected to provide quantitative predictions at the subnanoscale of Cu 2 (tebpz) pores, the physical intuition suggests that to a reduction of their hydrophobicity corresponds a reduction of the P i . Molecular dynamics simulations and sychrothron experiments allowed to clarify the mechanism of the peculiar trend of P i with T. At increasing temperatures the vapor density within the MOF’ pores grows significantly, bringing the corresponding partial pressure to ≈5 MPa. This pressure, which is consistent with the shift of P i observed in liquid porosimetry, represents a threshold to be overcame before intrusion takes place. Beyond some value of temperature, the phenomenon of reduction of hydrophobicity (and water surface tension) dominated over the opposite effect of increase of vapor pressure and P i inverts its trend with T.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Photodissociation Dynamics of CH 2 OO on Multiple Potential Energy Surfaces: Experiment and Theory

UV excitation of the CH 2 OO Criegee intermediate across most of the broad span of the (B 1A') – (X 1A') spectrum results in prompt dissociation to two energetically accessible asymptotes: O ( 1 D) + H 2 CO (X 1 A 1 ) and O ( 3 P) + H 2 CO (a 3A"). Dissociation proceeds on multiple singlet potential energy surfaces that are coupled by two regions of conical intersection (CoIn). Velocity map imaging (VMI) studies reveal a bimodal total kinetic energy (TKER) distribution for the O ( 1 D) + H 2 CO (X 1 A 1 ) products with the major and minor components accounting for ca. 40% and ca. 20% on average of the available energy (E avl ), respectively. The unexpected low TKER component corresponds to highly internally excited H 2 CO (X 1 A 1 ) products accommodating ca. 80% of E avl . Full dimensional trajectory calculations suggest that the bimodal TKER distribution of the O ( 1 D) + H 2 CO (X 1 A 1 ) products originates from two different dynamical pathways: a primary pathway (69%) evolving through one CoIn region to products and a smaller component (20%) sampling both CoIn regions enroute to products. Those that access both CoIn regions likely give rise to the more highly internally excited H 2 CO (X 1 A 1 ) products. The remaining trajectories (11%) dissociate to O ( 3 P) + H 2 CO (a 3 A") products after traversing through both CoIn regions. Here, the complementary experimental and theoretical investigation provides insight on the photodissociation of CH 2 OO via multiple dissociation pathways through two regions of CoIn that control the branching and energy distributions of products.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Structural instability of the CoO 4 tetrahedral chain in SrCoO 3-δ thin films

Raman scattering experiments together with detailed lattice dynamic calculations are performed to elucidate crystallographic and electronic peculiarities of SrCoO 3-δ films. We observe that the 85 cm -1 phonon mode involving the rotation of a CoO 4 tetrahedron undergoes a hardening by 21 cm -1 when the temperature is decreased. In addition, new phonon modes appear at 651.5 and 697.6 cm -1 . The latter modes are attributed to the Jahn-Teller activated modes. Upon cooling from room temperature, all phonons exhibit an exponential-like increase of intensity with a characteristic energy of about 103–107 K. We attribute this phenomenon to an instability of the CoO 4 tetrahedral chain structure, which constitutes a key ingredient to understand the electronic and structural properties of the brownmillerite SrCoO 2.5 .

36 MATERIALS SCIENCE↗
DOE OSTI2023

Novel Phases and Dynamics of Multi-orbital Mott Insulators

The goal of this project is to gain theoretical insight into magnetism in the presence of spin-orbit coupling (SOC) for multi-orbital Mott insulators. Inspired by the exact solution of the Kitaev model that harbors a quantum spin liquid with novel excitations and struck by its relevance for materials with anisotropic orbital interactions, the PI will explore various new classes of 4d and 5d transition metal oxides. Starting with all electron Hamiltonians, the PI will derive minimal magnetic models. The aim will be to understand the role played by orbital frustration, even in the absence of any geometric frustration, in creating orbitally ordered as well as spin-orbital liquid phases. Orbital frustration arises primarily from the directional or anisotropic nature of d-orbitals in contrast to the isotropic nature of the spin degree of freedom. These models will be investigated by a variety of theoretical and numerical methods, including exact diagonalization, mean field theories, density matrix renormalization group and quantum Monte Carlo methods. Testable predictions for three experiments: nuclear magnetic resonance (NMR) and resonant x-ray scattering (RXS) to probe orbital ordering and pump-probe experiments to probe quantum dynamics will test the validity of these models for materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2000

Test Cases for the Benchmark Active Controls: Spoiler and Control Surface Oscillations and Flutter

As a portion of the Benchmark Models Program at NASA Langley, a simple generic model was developed for active controls research and was called BACT for Benchmark Active Controls Technology model. This model was based on the previously-tested Benchmark Models rectangular wing with the NACA 0012 airfoil section that was mounted on the Pitch and Plunge Apparatus (PAPA) for flutter testing. The BACT model had an upper surface spoiler, a lower surface spoiler, and a trailing edge control surface for use in flutter suppression and dynamic response excitation. Previous experience with flutter suppression indicated a need for measured control surface aerodynamics for accurate control law design. Three different types of flutter instability boundaries had also been determined for the NACA 0012/PAPA model, a classical flutter boundary, a transonic stall flutter boundary at angle of attack, and a plunge instability near M = 0.9. Therefore an extensive set of steady and control surface oscillation data was generated spanning the range of the three types of instabilities. This information was subsequently used to design control laws to suppress each flutter instability. There have been three tests of the BACT model. The objective of the first test, TDT Test 485, was to generate a data set of steady and unsteady control surface effectiveness data, and to determine the open loop dynamic characteristics of the control systems including the actuators. Unsteady pressures, loads, and transfer functions were measured. The other two tests, TDT Test 502 and TDT Test 5 18, were primarily oriented towards active controls research, but some data supplementary to the first test were obtained. Dynamic response of the flexible system to control surface excitation and open loop flutter characteristics were determined during Test 502. Loads were not measured during the last two tests. During these tests, a database of over 3000 data sets was obtained. A reasonably extensive subset of the data sets from the first two tests have been chosen for Test Cases for computational comparisons concentrating on static conditions and cases with harmonically oscillating control surfaces. Several flutter Test Cases from both tests have also been included. Some aerodynamic comparisons with the BACT data have been made using computational fluid dynamics codes at the Navier-Stokes level (and in the accompanying chapter SC). Some mechanical and active control studies have been presented. In this report several Test Cases are selected to illustrate trends for a variety of different conditions with emphasis on transonic flow effects. Cases for static angles of attack, static trailing-edge and upper-surface spoiler deflections are included for a range of conditions near those for the oscillation cases. Cases for trailing-edge control and upper-surface spoiler oscillations for a range of Mach numbers, angle of attack, and static control deflections are included. Cases for all three types of flutter instability are selected. In addition some cases are included for dynamic response measurements during forced oscillations of the controls on the flexible mount. An overview of the model and tests is given, and the standard formulary for these data is listed. Some sample data and sample results of calculations are presented. Only the static pressures and the first harmonic real and imaginary parts of the pressures are included in the data for the Test Cases, but digitized time histories have been archived. The data for the Test Cases are also available as separate electronic files.

Bennett, Robert M.↗
DOE OSTI2019

Experimental quantification of vent mechanism flow parameters in 18650 format lithium ion batteries

Lithium ion batteries have a well documented tendency to fail energetically under various abuse conditions. These conditions frequently result in decomposition of the electrochemical components within the battery resulting in gas generation and increased internal pressure which can lead to an explosive case rupture. The 18650 format cell incorporates a vent mechanism located within a crimped cap to relieve pressure and mitigate the risk of case rupture. Cell venting, however, introduces additional safety concerns associated with the flow of flammable gases and liquid electrolyte into the environment. Experiments to quantify key parameters are performed to elucidate the external dynamics of battery venting. A first experiment measures the vent burst pressure. Burst vent caps are then tested with a second experimental fixture to measure vent opening area and discharge coefficient during choked-flow venting, which occurs during battery failure. Vent opening area and discharge coefficient are calculated from stagnation temperature, stagnation pressure, and static pressure measurements along with compressible-isentropic flow equations and conservation of mass. Commercially-sourced vent caps are used with repeated tests run to quantify repeatability and variability. Validation experiments confirmed accuracy of opening area and discharge coefficient measurement. Moreover, trials conducted on vent caps from two sources demonstrate the potential for variation between manufacturers.

25 ENERGY STORAGE↗
DOE OSTI2017

Heavy-flavor production and medium properties in high-energy nuclear collisions --What next?

Open and hidden heavy-flavor physics in high-energy nuclear collisions are entering a new and exciting stage towards reaching a clearer understanding of the new experimental results with the possibility to link them directly to the advancement in lattice Quantum Chromo-Dynamics (QCD). Some recent results from experiments and theoretical developments regarding open and hidden heavy-flavor dynamics have been debated at the Lorentz Workshop Tomography of the Quark-Gluon Plasma with Heavy Quarks, which was held in October 2016 in Leiden, The Netherlands. Here, we summarize identified common understandings and developed strategies for the upcoming five years, which aim at achieving a profound knowledge of the dynamical properties of the quark-gluon plasma.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1990

Space station structural performance experiment

A flight experiment that could be used to measure Space Station dynamics during and after its assembly is discussed. By integrating sensors into the structure to measure its ambient dynamic responses, it will provide some information as to how it behaves during its evolution. The objectives of the experiment are to define a series of experiments to measure the dynamic responses due to disturbances to establish the experiment scenarios, and to identify the locations of the instrumentation that can be integrated into the structure. Researchers have also defined the Space Station resources that are required so that they can be included in the Mission Requirements Data Base (MRDB). They used the 16-flight-assembly scenario that was recommended by Rockwell as the baseline.

Gates, Dick↗
NASA NTRS2001

Using Dynamic Interface Modeling and Simulation to Develop a Launch and Recovery Flight Simulation for a UH-60A Blackhawk

Joint Shipboard Helicopter Integration Process (JSHIP) is a Joint Test and Evaluation (JT&E) program sponsored by the Office of the Secretary of Defense (OSD). Under the JSHDP program is a simulation effort referred to as the Dynamic Interface Modeling and Simulation System (DIMSS). The purpose of DIMSS is to develop and test the processes and mechanisms that facilitate ship-helicopter interface testing via man-in-the-loop ground-based flight simulators. Specifically, the DIMSS charter is to develop an accredited process for using a flight simulator to determine the wind-over-the-deck (WOD) launch and recovery flight envelope for the UH-60A ship/helicopter combination. DIMSS is a collaborative effort between the NASA Ames Research Center and OSD. OSD determines the T&E and warfighter training requirements, provides the programmatics and dynamic interface T&E experience, and conducts ship/aircraft interface tests for validating the simulation. NASA provides the research and development element, simulation facility, and simulation technical experience. This paper will highlight the benefits of the NASA/JSHIP collaboration and detail achievements of the project in terms of modeling and simulation. The Vertical Motion Simulator (VMS) at NASA Ames Research Center offers the capability to simulate a wide range of simulation cueing configurations, which include visual, aural, and body-force cueing devices. The system flexibility enables switching configurations io allow back-to-back evaluation and comparison of different levels of cueing fidelity in determining minimum training requirements. The investigation required development and integration of several major simulation system at the VMS. A new UH-60A BlackHawk interchangeable cab that provides an out-the-window (OTW) field-of-view (FOV) of 220 degrees in azimuth and 70 degrees in elevation was built. Modeling efforts involved integrating Computational Fluid Dynamics (CFD) generated data of an LHA ship airwake and integrating a real-time ship motion model developed based on a batch model from Naval Surface Warfare Center. Engineering development and integration of a three degrees-of-freedom (DOF) dynamic seat to simulate high frequency rotor-dynamics dependent motion cues for use in conjunction with the large motion system was accomplished. The development of an LHA visual model in several different levels of resolution and an aural cueing system in which three separate fidelity levels could be selected were developed. VMS also integrated a PC-based E&S simFUSION system to investigate cost effective IG alternatives. The DIMSS project consists of three phases that follow an approved Validation, Verification and accreditation (VV&A) process. The first phase will support the accreditation of the individual subsystems and models. The second will follow the verification and validation of the integrated subsystems and models, and will address fidelity requirements of the integrated models and subsystems. The third and final phase will allow the verification and validation of the full system integration. This VV&A process will address the utility of the simulated WOD launch and recovery envelope. Simulations supporting the first two stages have been completed and the data is currently being reviewed and analyzed.

Sweeney, Christopher↗
NASA NTRS1990

Space Station Freedom: Dynamic instrumentation for a large space structure

A proposed approach called Modal Identification Experiment (MIE) for obtaining on-orbit dynamic response measurements on Space Station Freedom, the first of a family of large, flexible space structures is discussed. The Phase 2 conceptual design study which provides a conceptual design of a proposed measurement system and an experimental protocol for inobstrusively collecting dynamic response data critical to characterizing important vibration modes of Space Station Freedom were recently concluded. The case for conducting such a measurement program is presented and the specific MIE objectives that were identified, are listed. The sequence of discrete Space Station Freedom assembly configurations is described, and the Phase 2 conceptual design of the experiment and instrumentation system are defined. In addition, a plan to utilize a space station hydrid scale model in laboratory simulations as part of the design process are discussed.

Raney, John P.↗